                      :-) GROMACS - gmx mdrun, 2019.6 (-:

                            GROMACS is written by:
     Emile Apol      Rossen Apostolov      Paul Bauer     Herman J.C. Berendsen
    Par Bjelkmar      Christian Blau   Viacheslav Bolnykh     Kevin Boyd    
 Aldert van Buuren   Rudi van Drunen     Anton Feenstra       Alan Gray     
  Gerrit Groenhof     Anca Hamuraru    Vincent Hindriksen  M. Eric Irrgang  
  Aleksei Iupinov   Christoph Junghans     Joe Jordan     Dimitrios Karkoulis
    Peter Kasson        Jiri Kraus      Carsten Kutzner      Per Larsson    
  Justin A. Lemkul    Viveca Lindahl    Magnus Lundborg     Erik Marklund   
    Pascal Merz     Pieter Meulenhoff    Teemu Murtola       Szilard Pall   
    Sander Pronk      Roland Schulz      Michael Shirts    Alexey Shvetsov  
   Alfons Sijbers     Peter Tieleman      Jon Vincent      Teemu Virolainen 
 Christian Wennberg    Maarten Wolf   
                           and the project leaders:
        Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel

Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2018, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.

GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.

GROMACS:      gmx mdrun, version 2019.6
Executable:   /usr/bin/gmx
Data prefix:  /usr
Working dir:  /mnt/5ggr-rs3-500ns/311k
Process ID:   719294
Command line:
  gmx mdrun -deffnm md_1_20 -cpi md_0_10.cpt -noappend -v

GROMACS version:    2019.6
Precision:          single
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support:        OpenCL
SIMD instructions:  SSE2
FFT library:        fftw-3.3.5-sse2-avx
RDTSCP usage:       disabled
TNG support:        enabled
Hwloc support:      hwloc-2.2.0
Tracing support:    disabled
C compiler:         /usr/bin/cc GNU 8.4.1
C compiler flags:    -msse2   -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection  -DNDEBUG -funroll-all-loops -fexcess-precision=fast  
C++ compiler:       /usr/bin/c++ GNU 8.4.1
C++ compiler flags:  -msse2   -O2 -g -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -fexceptions -fstack-protector-strong -grecord-gcc-switches -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -std=c++11   -DNDEBUG -funroll-all-loops -fexcess-precision=fast  
OpenCL include dir: /usr/include
OpenCL library:     /usr/lib64/libOpenCL.so
OpenCL version:     2.2

NOTE: Detection of GPUs failed. The API reported:
      No valid OpenCL driver found
      GROMACS cannot run tasks on a GPU.

Running on 1 node with total 128 cores, 256 logical cores, 0 compatible GPUs
Hardware detected:
  CPU info:
    Vendor: AMD
    Brand:  AMD EPYC 7J13 64-Core Processor                
    Family: 25   Model: 1   Stepping: 1
    Features: aes amd apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt lahf misalignsse mmx msr nonstop_tsc pcid pclmuldq pdpe1gb popcnt pse rdrnd rdtscp sha sse2 sse3 sse4a sse4.1 sse4.2 ssse3 x2apic
  Hardware topology: Full, with devices
    Sockets, cores, and logical processors:
      Socket  0: [   0 128] [   1 129] [   2 130] [   3 131] [   4 132] [   5 133] [   6 134] [   7 135] [   8 136] [   9 137] [  10 138] [  11 139] [  12 140] [  13 141] [  14 142] [  15 143] [  16 144] [  17 145] [  18 146] [  19 147] [  20 148] [  21 149] [  22 150] [  23 151] [  24 152] [  25 153] [  26 154] [  27 155] [  28 156] [  29 157] [  30 158] [  31 159] [  32 160] [  33 161] [  34 162] [  35 163] [  36 164] [  37 165] [  38 166] [  39 167] [  40 168] [  41 169] [  42 170] [  43 171] [  44 172] [  45 173] [  46 174] [  47 175] [  48 176] [  49 177] [  50 178] [  51 179] [  52 180] [  53 181] [  54 182] [  55 183] [  56 184] [  57 185] [  58 186] [  59 187] [  60 188] [  61 189] [  62 190] [  63 191]
      Socket  1: [  64 192] [  65 193] [  66 194] [  67 195] [  68 196] [  69 197] [  70 198] [  71 199] [  72 200] [  73 201] [  74 202] [  75 203] [  76 204] [  77 205] [  78 206] [  79 207] [  80 208] [  81 209] [  82 210] [  83 211] [  84 212] [  85 213] [  86 214] [  87 215] [  88 216] [  89 217] [  90 218] [  91 219] [  92 220] [  93 221] [  94 222] [  95 223] [  96 224] [  97 225] [  98 226] [  99 227] [ 100 228] [ 101 229] [ 102 230] [ 103 231] [ 104 232] [ 105 233] [ 106 234] [ 107 235] [ 108 236] [ 109 237] [ 110 238] [ 111 239] [ 112 240] [ 113 241] [ 114 242] [ 115 243] [ 116 244] [ 117 245] [ 118 246] [ 119 247] [ 120 248] [ 121 249] [ 122 250] [ 123 251] [ 124 252] [ 125 253] [ 126 254] [ 127 255]
    Numa nodes:
      Node  0 (1068806119424 bytes mem):   0 128   1 129   2 130   3 131   4 132   5 133   6 134   7 135   8 136   9 137  10 138  11 139  12 140  13 141  14 142  15 143  16 144  17 145  18 146  19 147  20 148  21 149  22 150  23 151  24 152  25 153  26 154  27 155  28 156  29 157  30 158  31 159  32 160  33 161  34 162  35 163  36 164  37 165  38 166  39 167  40 168  41 169  42 170  43 171  44 172  45 173  46 174  47 175  48 176  49 177  50 178  51 179  52 180  53 181  54 182  55 183  56 184  57 185  58 186  59 187  60 188  61 189  62 190  63 191
      Node  1 (1082281443328 bytes mem):  64 192  65 193  66 194  67 195  68 196  69 197  70 198  71 199  72 200  73 201  74 202  75 203  76 204  77 205  78 206  79 207  80 208  81 209  82 210  83 211  84 212  85 213  86 214  87 215  88 216  89 217  90 218  91 219  92 220  93 221  94 222  95 223  96 224  97 225  98 226  99 227 100 228 101 229 102 230 103 231 104 232 105 233 106 234 107 235 108 236 109 237 110 238 111 239 112 240 113 241 114 242 115 243 116 244 117 245 118 246 119 247 120 248 121 249 122 250 123 251 124 252 125 253 126 254 127 255
      Latency:
               0     1
         0  1.00  3.20
         1  3.20  1.00
    Caches:
      L1: 32768 bytes, linesize 64 bytes, assoc. 8, shared 2 ways
      L2: 524288 bytes, linesize 64 bytes, assoc. 8, shared 2 ways
      L3: 33554432 bytes, linesize 64 bytes, assoc. 16, shared 16 ways
    PCI devices:
      0000:41:00.0  Id: 15b3:101d  Class: 0x0200  Numa: 0
      0000:62:00.0  Id: 102b:0522  Class: 0x0300  Numa: 0
      0000:a1:00.0  Id: 15b3:101d  Class: 0x0200  Numa: 1

Highest SIMD level requested by all nodes in run: AVX2_256
SIMD instructions selected at compile time:       SSE2
This program was compiled for different hardware than you are running on,
which could influence performance.

The current CPU can measure timings more accurately than the code in
gmx mdrun was configured to use. This might affect your simulation
speed as accurate timings are needed for load-balancing.
Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake option.

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E.
Lindahl
GROMACS: High performance molecular simulations through multi-level
parallelism from laptops to supercomputers
SoftwareX 1 (2015) pp. 19-25
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with
GROMACS
In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R.
Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl
GROMACS 4.5: a high-throughput and highly parallel open source molecular
simulation toolkit
Bioinformatics 29 (2013) pp. 845-54
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable
molecular simulation
J. Chem. Theory Comput. 4 (2008) pp. 435-447
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C.
Berendsen
GROMACS: Fast, Flexible and Free
J. Comp. Chem. 26 (2005) pp. 1701-1719
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
E. Lindahl and B. Hess and D. van der Spoel
GROMACS 3.0: A package for molecular simulation and trajectory analysis
J. Mol. Mod. 7 (2001) pp. 306-317
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
H. J. C. Berendsen, D. van der Spoel and R. van Drunen
GROMACS: A message-passing parallel molecular dynamics implementation
Comp. Phys. Comm. 91 (1995) pp. 43-56
-------- -------- --- Thank You --- -------- --------


++++ PLEASE CITE THE DOI FOR THIS VERSION OF GROMACS ++++
https://doi.org/10.5281/zenodo.3685922
-------- -------- --- Thank You --- -------- --------

Input Parameters:
   integrator                     = md
   tinit                          = 0
   dt                             = 0.002
   nsteps                         = 250050000
   init-step                      = 0
   simulation-part                = 1
   comm-mode                      = Linear
   nstcomm                        = 100
   bd-fric                        = 0
   ld-seed                        = -1791124371
   emtol                          = 10
   emstep                         = 0.01
   niter                          = 20
   fcstep                         = 0
   nstcgsteep                     = 1000
   nbfgscorr                      = 10
   rtpi                           = 0.05
   nstxout                        = 0
   nstvout                        = 0
   nstfout                        = 0
   nstlog                         = 5000
   nstcalcenergy                  = 100
   nstenergy                      = 5000
   nstxout-compressed             = 5000
   compressed-x-precision         = 1000
   cutoff-scheme                  = Verlet
   nstlist                        = 10
   ns-type                        = Grid
   pbc                            = xyz
   periodic-molecules             = false
   verlet-buffer-tolerance        = 0.005
   rlist                          = 1
   coulombtype                    = PME
   coulomb-modifier               = Potential-shift
   rcoulomb-switch                = 0
   rcoulomb                       = 1
   epsilon-r                      = 1
   epsilon-rf                     = inf
   vdw-type                       = Cut-off
   vdw-modifier                   = Potential-shift
   rvdw-switch                    = 0
   rvdw                           = 1
   DispCorr                       = EnerPres
   table-extension                = 1
   fourierspacing                 = 0.16
   fourier-nx                     = 96
   fourier-ny                     = 96
   fourier-nz                     = 96
   pme-order                      = 4
   ewald-rtol                     = 1e-05
   ewald-rtol-lj                  = 0.001
   lj-pme-comb-rule               = Geometric
   ewald-geometry                 = 0
   epsilon-surface                = 0
   tcoupl                         = V-rescale
   nsttcouple                     = 10
   nh-chain-length                = 0
   print-nose-hoover-chain-variables = false
   pcoupl                         = Parrinello-Rahman
   pcoupltype                     = Isotropic
   nstpcouple                     = 10
   tau-p                          = 2
   compressibility (3x3):
      compressibility[    0]={ 4.50000e-05,  0.00000e+00,  0.00000e+00}
      compressibility[    1]={ 0.00000e+00,  4.50000e-05,  0.00000e+00}
      compressibility[    2]={ 0.00000e+00,  0.00000e+00,  4.50000e-05}
   ref-p (3x3):
      ref-p[    0]={ 1.00000e+00,  0.00000e+00,  0.00000e+00}
      ref-p[    1]={ 0.00000e+00,  1.00000e+00,  0.00000e+00}
      ref-p[    2]={ 0.00000e+00,  0.00000e+00,  1.00000e+00}
   refcoord-scaling               = No
   posres-com (3):
      posres-com[0]= 0.00000e+00
      posres-com[1]= 0.00000e+00
      posres-com[2]= 0.00000e+00
   posres-comB (3):
      posres-comB[0]= 0.00000e+00
      posres-comB[1]= 0.00000e+00
      posres-comB[2]= 0.00000e+00
   QMMM                           = false
   QMconstraints                  = 0
   QMMMscheme                     = 0
   MMChargeScaleFactor            = 1
qm-opts:
   ngQM                           = 0
   constraint-algorithm           = Lincs
   continuation                   = true
   Shake-SOR                      = false
   shake-tol                      = 0.0001
   lincs-order                    = 4
   lincs-iter                     = 1
   lincs-warnangle                = 30
   nwall                          = 0
   wall-type                      = 9-3
   wall-r-linpot                  = -1
   wall-atomtype[0]               = -1
   wall-atomtype[1]               = -1
   wall-density[0]                = 0
   wall-density[1]                = 0
   wall-ewald-zfac                = 3
   pull                           = false
   awh                            = false
   rotation                       = false
   interactiveMD                  = false
   disre                          = No
   disre-weighting                = Conservative
   disre-mixed                    = false
   dr-fc                          = 1000
   dr-tau                         = 0
   nstdisreout                    = 100
   orire-fc                       = 0
   orire-tau                      = 0
   nstorireout                    = 100
   free-energy                    = no
   cos-acceleration               = 0
   deform (3x3):
      deform[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   simulated-tempering            = false
   swapcoords                     = no
   userint1                       = 0
   userint2                       = 0
   userint3                       = 0
   userint4                       = 0
   userreal1                      = 0
   userreal2                      = 0
   userreal3                      = 0
   userreal4                      = 0
   applied-forces:
     electric-field:
       x:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
       y:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
       z:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
grpopts:
   nrdf:     21189.8      349839
   ref-t:         311         311
   tau-t:         0.1         0.1
annealing:          No          No
annealing-npoints:           0           0
   acc:	           0           0           0
   nfreeze:           N           N           N
   energygrp-flags[  0]: 0


Reading checkpoint file md_0_10.cpt
  file generated by:     /usr/bin/gmx
  file generated at:     Tue Nov  7 09:28:56 2023

  GROMACS double prec.:  0
  simulation part #:     1
  step:                  207085200
  time:                  414170.400000

Changing nstlist from 10 to 50, rlist from 1 to 1.114


Initializing Domain Decomposition on 256 ranks
Dynamic load balancing: locked
Using update groups, nr 62595, average size 2.9 atoms, max. radius 0.139 nm
Minimum cell size due to atom displacement: 0.414 nm
Initial maximum distances in bonded interactions:
    two-body bonded interactions: 0.454 nm, LJ-14, atoms 316 1490
  multi-body bonded interactions: 0.495 nm, CMAP Dih., atoms 312 324
Minimum cell size due to bonded interactions: 0.544 nm
Guess for relative PME load: 0.14
Will use 192 particle-particle and 64 PME only ranks
This is a guess, check the performance at the end of the log file
Using 64 separate PME ranks, as guessed by mdrun
Scaling the initial minimum size with 1/0.8 (option -dds) = 1.25
Optimizing the DD grid for 192 cells with a minimum initial size of 0.680 nm
The maximum allowed number of cells is: X 16 Y 16 Z 14
Domain decomposition grid 8 x 8 x 3, separate PME ranks 64
PME domain decomposition: 8 x 8 x 1
Interleaving PP and PME ranks
This rank does only particle-particle work.
Domain decomposition rank 0, coordinates 0 0 0

The initial number of communication pulses is: X 1 Y 1 Z 1
The initial domain decomposition cell size is: X 1.41 nm Y 1.41 nm Z 3.26 nm

The maximum allowed distance for atom groups involved in interactions is:
                 non-bonded interactions           1.392 nm
(the following are initial values, they could change due to box deformation)
            two-body bonded interactions  (-rdd)   1.392 nm
          multi-body bonded interactions  (-rdd)   1.392 nm

When dynamic load balancing gets turned on, these settings will change to:
The maximum number of communication pulses is: X 2 Y 2 Z 2
The minimum size for domain decomposition cells is 0.954 nm
The requested allowed shrink of DD cells (option -dds) is: 0.80
The allowed shrink of domain decomposition cells is: X 0.68 Y 0.68 Z 0.29
The maximum allowed distance for atom groups involved in interactions is:
                 non-bonded interactions           1.392 nm
            two-body bonded interactions  (-rdd)   1.392 nm
          multi-body bonded interactions  (-rdd)   0.954 nm

Using 256 MPI threads
Using 1 OpenMP thread per tMPI thread

Pinning threads with an auto-selected logical core stride of 1
System total charge: 0.000
Will do PME sum in reciprocal space for electrostatic interactions.

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen 
A smooth particle mesh Ewald method
J. Chem. Phys. 103 (1995) pp. 8577-8592
-------- -------- --- Thank You --- -------- --------

Using a Gaussian width (1/beta) of 0.320163 nm for Ewald
Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05
Initialized non-bonded Ewald correction tables, spacing: 9.33e-04 size: 1073

Long Range LJ corr.: <C6> 3.1183e-04
Generated table with 1056 data points for Ewald.
Tabscale = 500 points/nm
Generated table with 1056 data points for LJ6.
Tabscale = 500 points/nm
Generated table with 1056 data points for LJ12.
Tabscale = 500 points/nm
Generated table with 1056 data points for 1-4 COUL.
Tabscale = 500 points/nm
Generated table with 1056 data points for 1-4 LJ6.
Tabscale = 500 points/nm
Generated table with 1056 data points for 1-4 LJ12.
Tabscale = 500 points/nm

Using SIMD 4x4 nonbonded short-range kernels

Using a dual 4x4 pair-list setup updated with dynamic pruning:
  outer list: updated every 50 steps, buffer 0.114 nm, rlist 1.114 nm
  inner list: updated every 12 steps, buffer 0.002 nm, rlist 1.002 nm
At tolerance 0.005 kJ/mol/ps per atom, equivalent classical 1x1 list would be:
  outer list: updated every 50 steps, buffer 0.244 nm, rlist 1.244 nm
  inner list: updated every 12 steps, buffer 0.048 nm, rlist 1.048 nm

Using Lorentz-Berthelot Lennard-Jones combination rule


Initializing LINear Constraint Solver

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije
LINCS: A Linear Constraint Solver for molecular simulations
J. Comp. Chem. 18 (1997) pp. 1463-1472
-------- -------- --- Thank You --- -------- --------

The number of constraints is 4169

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Miyamoto and P. A. Kollman
SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid
Water Models
J. Comp. Chem. 13 (1992) pp. 952-962
-------- -------- --- Thank You --- -------- --------


Linking all bonded interactions to atoms


Intra-simulation communication will occur every 10 steps.
Center of mass motion removal mode is Linear
We have the following groups for center of mass motion removal:
  0:  rest

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
G. Bussi, D. Donadio and M. Parrinello
Canonical sampling through velocity rescaling
J. Chem. Phys. 126 (2007) pp. 014101
-------- -------- --- Thank You --- -------- --------

There are: 183370 Atoms
Atom distribution over 192 domains: av 955 stddev 28 min 894 max 1031

Started mdrun on rank 0 Tue Nov  7 10:31:28 2023


DD  step 207085249 load imb.: force 19.2%  pme mesh/force 1.682

step 207085350 Turning on dynamic load balancing, because the performance loss due to load imbalance is 10.0 %.

DD  step 207089999  vol min/aver 0.632  load imb.: force  5.5%  pme mesh/force 0.662
           Step           Time
      207090000   414180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00589e+03    1.95080e+04    1.31063e+04    1.17173e+03   -2.98986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76997e+03    9.29677e+04    3.99121e+05   -2.33495e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67082e+04   -2.44620e+06    4.80309e+05   -1.96589e+06    2.17889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.06637e+02   -3.04754e+01    4.28973e-06


DD  step 207094999  vol min/aver 0.636  load imb.: force  4.5%  pme mesh/force 0.643
           Step           Time
      207095000   414190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10938e+03    1.95827e+04    1.29020e+04    1.16648e+03   -3.09616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86950e+03    9.27558e+04    3.99135e+05   -2.33860e+04   -2.97235e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66976e+04   -2.44362e+06    4.78002e+05   -1.96562e+06    2.17895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09898e+02   -2.07282e+02    1.15884e+01    4.33236e-06


DD  step 207099999  vol min/aver 0.625  load imb.: force  6.5%  pme mesh/force 0.680
           Step           Time
      207100000   414200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84839e+03    1.97475e+04    1.29035e+04    1.17723e+03   -3.12403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86800e+03    9.31433e+04    4.00734e+05   -2.33802e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65903e+04   -2.44702e+06    4.79725e+05   -1.96730e+06    2.17900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11014e+02   -2.07180e+02    3.78022e+01    4.28302e-06


DD  step 207104999  vol min/aver 0.624  load imb.: force  5.3%  pme mesh/force 0.637
           Step           Time
      207105000   414210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13440e+03    1.95928e+04    1.30858e+04    1.25852e+03   -2.97794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69792e+03    9.32646e+04    3.98041e+05   -2.33695e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64886e+04   -2.44615e+06    4.79154e+05   -1.96699e+06    2.17906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10644e+02   -2.06991e+02   -7.57898e+01    4.40972e-06


DD  step 207109999  vol min/aver 0.646  load imb.: force  4.7%  pme mesh/force 0.650
           Step           Time
      207110000   414220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86050e+03    1.93346e+04    1.29406e+04    1.17638e+03   -3.11936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79900e+03    9.35335e+04    4.00444e+05   -2.33939e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64091e+04   -2.44891e+06    4.77636e+05   -1.97128e+06    2.17912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09660e+02   -2.07424e+02   -5.95537e+00    4.18079e-06


DD  step 207114999  vol min/aver 0.587  load imb.: force  5.0%  pme mesh/force 0.649
           Step           Time
      207115000   414230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84420e+03    1.94942e+04    1.29201e+04    1.12123e+03   -3.02621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74103e+03    9.34487e+04    4.02587e+05   -2.33906e+04   -2.98162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69518e+04   -2.44893e+06    4.78931e+05   -1.97000e+06    2.17917e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10499e+02   -2.07365e+02    4.56443e+01    4.20742e-06


DD  step 207119999  vol min/aver 0.608  load imb.: force  5.6%  pme mesh/force 0.640
           Step           Time
      207120000   414240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21284e+03    1.89560e+04    1.32065e+04    1.17297e+03   -3.10635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72979e+03    9.32812e+04    4.01709e+05   -2.33734e+04   -2.97922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65034e+04   -2.44793e+06    4.79800e+05   -1.96813e+06    2.17923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11063e+02   -2.07060e+02    2.05917e-01    4.39441e-06


DD  step 207124999  vol min/aver 0.644  load imb.: force  4.4%  pme mesh/force 0.643
           Step           Time
      207125000   414250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74185e+03    1.90480e+04    1.29559e+04    1.20166e+03   -2.95763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92047e+03    9.36491e+04    3.97908e+05   -2.33287e+04   -2.97262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65002e+04   -2.44498e+06    4.80190e+05   -1.96479e+06    2.17929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11316e+02   -2.06269e+02   -6.76387e+01    4.36819e-06


DD  step 207129999  vol min/aver 0.611  load imb.: force  4.3%  pme mesh/force 0.643
           Step           Time
      207130000   414260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01035e+03    1.92478e+04    1.30917e+04    1.13249e+03   -3.07512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86537e+03    9.34916e+04    4.02420e+05   -2.33956e+04   -2.98093e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64380e+04   -2.44870e+06    4.78934e+05   -1.96977e+06    2.17935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10502e+02   -2.07452e+02    6.90144e+00    4.26012e-06


DD  step 207134999  vol min/aver 0.645  load imb.: force  5.0%  pme mesh/force 0.659
           Step           Time
      207135000   414270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88820e+03    1.91150e+04    1.30383e+04    1.15055e+03   -3.00321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89494e+03    9.31559e+04    3.98018e+05   -2.33656e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67249e+04   -2.44874e+06    4.77230e+05   -1.97151e+06    2.17940e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09397e+02   -2.06922e+02   -1.36261e+02    4.30484e-06


DD  step 207139999  vol min/aver 0.593  load imb.: force  4.0%  pme mesh/force 0.632
           Step           Time
      207140000   414280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01085e+03    1.91751e+04    1.28265e+04    1.08653e+03   -3.04583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75981e+03    9.32531e+04    3.99950e+05   -2.33923e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64967e+04   -2.44709e+06    4.78945e+05   -1.96815e+06    2.17946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10509e+02   -2.07395e+02   -6.64605e+01    4.36198e-06


DD  step 207144999  vol min/aver 0.652  load imb.: force  4.2%  pme mesh/force 0.641
           Step           Time
      207145000   414290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89826e+03    1.94503e+04    1.29170e+04    1.17774e+03   -3.04948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80346e+03    9.32502e+04    4.00973e+05   -2.34105e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63778e+04   -2.45033e+06    4.77858e+05   -1.97247e+06    2.17952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09804e+02   -2.07718e+02    3.47899e+01    4.20161e-06


DD  step 207149999  vol min/aver 0.606  load imb.: force  5.2%  pme mesh/force 0.647
           Step           Time
      207150000   414300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10106e+03    1.92734e+04    1.29214e+04    1.24996e+03   -3.07596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75467e+03    9.30382e+04    4.00016e+05   -2.33738e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63825e+04   -2.44842e+06    4.78606e+05   -1.96982e+06    2.17958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10289e+02   -2.07066e+02   -3.36126e+01    4.26871e-06


DD  step 207154999  vol min/aver 0.640  load imb.: force  4.3%  pme mesh/force 0.643
           Step           Time
      207155000   414310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98843e+03    1.93785e+04    1.30182e+04    1.15633e+03   -3.02201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80577e+03    9.29611e+04    4.00031e+05   -2.34090e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63402e+04   -2.44785e+06    4.80980e+05   -1.96687e+06    2.17963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11828e+02   -2.07691e+02    1.45385e+01    4.59278e-06


DD  step 207159999  vol min/aver 0.614  load imb.: force  4.2%  pme mesh/force 0.656
           Step           Time
      207160000   414320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15869e+03    1.91017e+04    1.30760e+04    1.10486e+03   -3.18435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91940e+03    9.31410e+04    4.00898e+05   -2.33759e+04   -2.97842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65246e+04   -2.44805e+06    4.79125e+05   -1.96893e+06    2.17970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10625e+02   -2.07105e+02    2.38206e+00    4.14377e-06


DD  step 207164999  vol min/aver 0.623  load imb.: force  5.0%  pme mesh/force 0.641
           Step           Time
      207165000   414330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91069e+03    1.95819e+04    1.30183e+04    1.10618e+03   -3.19054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87468e+03    9.34992e+04    4.00304e+05   -2.34426e+04   -2.98046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63248e+04   -2.45047e+06    4.78202e+05   -1.97227e+06    2.17975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10027e+02   -2.08286e+02    5.13896e+01    4.21514e-06


DD  step 207169999  vol min/aver 0.610  load imb.: force  5.6%  pme mesh/force 0.651
           Step           Time
      207170000   414340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81689e+03    1.92605e+04    1.30749e+04    1.14663e+03   -3.00158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88719e+03    9.35777e+04    4.03270e+05   -2.33894e+04   -2.98165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65454e+04   -2.44846e+06    4.79443e+05   -1.96902e+06    2.17981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10832e+02   -2.07344e+02    7.34974e+01    4.38087e-06


DD  step 207174999  vol min/aver 0.621  load imb.: force  5.2%  pme mesh/force 0.648
           Step           Time
      207175000   414350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67201e+03    1.92599e+04    1.29805e+04    1.21237e+03   -2.99108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88349e+03    9.37194e+04    3.99705e+05   -2.34152e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67060e+04   -2.44563e+06    4.78939e+05   -1.96669e+06    2.17986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.07801e+02    6.31692e+01    4.29027e-06


DD  step 207179999  vol min/aver 0.651  load imb.: force  3.9%  pme mesh/force 0.649
           Step           Time
      207180000   414360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72512e+03    1.93288e+04    1.29251e+04    1.18997e+03   -2.99103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86915e+03    9.32799e+04    3.99222e+05   -2.33927e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65083e+04   -2.44722e+06    4.79421e+05   -1.96780e+06    2.17992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.07402e+02   -3.63460e+01    4.49067e-06


DD  step 207184999  vol min/aver 0.610  load imb.: force  4.3%  pme mesh/force 0.639
           Step           Time
      207185000   414370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97885e+03    1.94074e+04    1.30371e+04    1.25590e+03   -3.05987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78223e+03    9.31466e+04    4.00002e+05   -2.33647e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64437e+04   -2.44563e+06    4.78811e+05   -1.96682e+06    2.17998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10422e+02   -2.06906e+02   -3.68087e+01    4.44598e-06


DD  step 207189999  vol min/aver 0.644  load imb.: force  4.0%  pme mesh/force 0.654
           Step           Time
      207190000   414380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24460e+03    1.92109e+04    1.29744e+04    1.12141e+03   -3.19217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72243e+03    9.31923e+04    3.98426e+05   -2.33525e+04   -2.97482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64842e+04   -2.44699e+06    4.80278e+05   -1.96671e+06    2.18004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11373e+02   -2.06691e+02   -9.08089e+01    4.30866e-06


DD  step 207194999  vol min/aver 0.612  load imb.: force  5.2%  pme mesh/force 0.663
           Step           Time
      207195000   414390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88186e+03    1.90972e+04    1.29884e+04    1.16898e+03   -3.02060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88054e+03    9.35155e+04    3.99548e+05   -2.33740e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64618e+04   -2.44859e+06    4.80525e+05   -1.96807e+06    2.18010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.07070e+02    2.92290e+00    4.45202e-06


DD  step 207199999  vol min/aver 0.605  load imb.: force  5.5%  pme mesh/force 0.644
           Step           Time
      207200000   414400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88314e+03    1.94549e+04    1.31480e+04    1.18574e+03   -3.00420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88916e+03    9.35708e+04    4.01098e+05   -2.33774e+04   -2.97900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64824e+04   -2.44767e+06    4.81020e+05   -1.96665e+06    2.18016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11854e+02   -2.07130e+02    4.32369e+01    4.48220e-06


DD  step 207204999  vol min/aver 0.632  load imb.: force  4.5%  pme mesh/force 0.648
           Step           Time
      207205000   414410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92902e+03    1.92951e+04    1.31207e+04    1.18644e+03   -3.06033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87566e+03    9.33535e+04    3.99163e+05   -2.33971e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67163e+04   -2.44721e+06    4.77634e+05   -1.96957e+06    2.18022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09659e+02   -2.07479e+02   -6.83060e+00    4.38851e-06


DD  step 207209999  vol min/aver 0.591  load imb.: force  4.3%  pme mesh/force 0.644
           Step           Time
      207210000   414420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15486e+03    1.92252e+04    1.31678e+04    1.19967e+03   -3.06103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79364e+03    9.29165e+04    4.01262e+05   -2.33887e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64463e+04   -2.44769e+06    4.80127e+05   -1.96756e+06    2.18027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07331e+02   -1.48385e+01    4.38357e-06


DD  step 207214999  vol min/aver 0.597  load imb.: force  4.1%  pme mesh/force 0.642
           Step           Time
      207215000   414430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03008e+03    1.92709e+04    1.31204e+04    1.16786e+03   -3.09248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78435e+03    9.27639e+04    3.99343e+05   -2.33541e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65311e+04   -2.44657e+06    4.80031e+05   -1.96654e+06    2.18033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.06719e+02   -4.05644e+01    4.48002e-06


DD  step 207219999  vol min/aver 0.604  load imb.: force  4.5%  pme mesh/force 0.648
           Step           Time
      207220000   414440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97077e+03    1.94335e+04    1.32133e+04    1.18824e+03   -3.20171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78093e+03    9.28311e+04    4.00907e+05   -2.33498e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65900e+04   -2.44754e+06    4.79550e+05   -1.96799e+06    2.18039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.06643e+02   -5.13706e+01    4.31193e-06


DD  step 207224999  vol min/aver 0.552  load imb.: force  4.8%  pme mesh/force 0.652
           Step           Time
      207225000   414450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91241e+03    1.98139e+04    1.31536e+04    1.10379e+03   -3.12161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85536e+03    9.30359e+04    3.98368e+05   -2.33867e+04   -2.97193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66723e+04   -2.44352e+06    4.79852e+05   -1.96367e+06    2.18045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11096e+02   -2.07296e+02    1.10680e+01    4.21520e-06


DD  step 207229999  vol min/aver 0.580  load imb.: force  4.1%  pme mesh/force 0.660
           Step           Time
      207230000   414460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38003e+03    1.98011e+04    1.30315e+04    1.21248e+03   -3.10637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60347e+03    9.30665e+04    4.00776e+05   -2.33612e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65210e+04   -2.44561e+06    4.81964e+05   -1.96364e+06    2.18050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12466e+02   -2.06845e+02   -1.69419e+01    4.08509e-06


DD  step 207234999  vol min/aver 0.595  load imb.: force  4.7%  pme mesh/force 0.646
           Step           Time
      207235000   414470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13006e+03    1.92906e+04    1.30331e+04    1.17184e+03   -3.03501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83880e+03    9.30866e+04    4.02055e+05   -2.34330e+04   -2.98212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63411e+04   -2.45064e+06    4.79449e+05   -1.97119e+06    2.18057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10835e+02   -2.08116e+02    3.00828e+01    4.12427e-06


DD  step 207239999  vol min/aver 0.599  load imb.: force  3.9%  pme mesh/force 0.654
           Step           Time
      207240000   414480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12755e+03    1.90318e+04    1.31004e+04    1.19541e+03   -3.00933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84510e+03    9.22921e+04    3.99001e+05   -2.33500e+04   -2.97412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64418e+04   -2.44644e+06    4.79115e+05   -1.96733e+06    2.18061e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10619e+02   -2.06646e+02   -6.31369e+01    4.39368e-06


DD  step 207244999  vol min/aver 0.582  load imb.: force  3.9%  pme mesh/force 0.649
           Step           Time
      207245000   414490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95582e+03    1.91580e+04    1.29714e+04    1.21104e+03   -3.10745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86933e+03    9.29696e+04    3.99891e+05   -2.33558e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62291e+04   -2.44910e+06    4.79415e+05   -1.96969e+06    2.18067e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10813e+02   -2.06749e+02   -1.67032e+01    4.45007e-06


DD  step 207249999  vol min/aver 0.555  load imb.: force  4.8%  pme mesh/force 0.649
           Step           Time
      207250000   414500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74480e+03    1.98494e+04    1.30930e+04    1.20144e+03   -3.07409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91390e+03    9.28166e+04    4.01144e+05   -2.34025e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66553e+04   -2.44453e+06    4.80250e+05   -1.96428e+06    2.18074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11355e+02   -2.07575e+02    8.29795e+01    4.34520e-06


DD  step 207254999  vol min/aver 0.567  load imb.: force  3.5%  pme mesh/force 0.650
           Step           Time
      207255000   414510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95618e+03    1.93250e+04    1.30071e+04    1.13518e+03   -3.03711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95251e+03    9.30636e+04    4.00714e+05   -2.33726e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64824e+04   -2.44961e+06    4.79525e+05   -1.97009e+06    2.18079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10884e+02   -2.07046e+02   -1.84340e+01    4.37501e-06


DD  step 207259999  vol min/aver 0.602  load imb.: force  5.2%  pme mesh/force 0.647
           Step           Time
      207260000   414520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88665e+03    1.95481e+04    1.30085e+04    1.16294e+03   -3.17964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78855e+03    9.28751e+04    4.00445e+05   -2.33725e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64329e+04   -2.44674e+06    4.79962e+05   -1.96678e+06    2.18085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.07045e+02    1.95422e+01    4.31056e-06


DD  step 207264999  vol min/aver 0.581  load imb.: force 12.7%  pme mesh/force 0.715
           Step           Time
      207265000   414530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98188e+03    1.92210e+04    1.31951e+04    1.13081e+03   -3.06691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84413e+03    9.25206e+04    4.00160e+05   -2.33708e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65553e+04   -2.44670e+06    4.79460e+05   -1.96724e+06    2.18091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07015e+02   -4.86138e+01    4.41998e-06


DD  step 207269999  vol min/aver 0.600  load imb.: force  4.4%  pme mesh/force 0.642
           Step           Time
      207270000   414540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12849e+03    1.95307e+04    1.30063e+04    1.19486e+03   -3.00309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81497e+03    9.27080e+04    4.01568e+05   -2.33970e+04   -2.98149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66397e+04   -2.45030e+06    4.80159e+05   -1.97014e+06    2.18097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.07477e+02    2.34175e+01    4.38809e-06


DD  step 207274999  vol min/aver 0.584  load imb.: force  4.6%  pme mesh/force 0.656
           Step           Time
      207275000   414550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08484e+03    1.91881e+04    1.30805e+04    1.20356e+03   -3.04498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85390e+03    9.29845e+04    4.00974e+05   -2.34013e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66122e+04   -2.44643e+06    4.80427e+05   -1.96600e+06    2.18103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.07553e+02    3.42291e+00    4.44690e-06


DD  step 207279999  vol min/aver 0.625  load imb.: force  4.5%  pme mesh/force 0.649
           Step           Time
      207280000   414560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94494e+03    1.95041e+04    1.30677e+04    1.23735e+03   -3.14448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79845e+03    9.32456e+04    4.00898e+05   -2.33608e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64203e+04   -2.44679e+06    4.79163e+05   -1.96763e+06    2.18109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10650e+02   -2.06837e+02    7.19908e+00    4.42458e-06


DD  step 207284999  vol min/aver 0.578  load imb.: force  4.6%  pme mesh/force 0.647
           Step           Time
      207285000   414570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93383e+03    1.92962e+04    1.29357e+04    1.19254e+03   -3.08826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91966e+03    9.30349e+04    4.01108e+05   -2.33524e+04   -2.97941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65423e+04   -2.44889e+06    4.78322e+05   -1.97056e+06    2.18114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10105e+02   -2.06689e+02   -2.65285e+01    4.36111e-06


DD  step 207289999  vol min/aver 0.642  load imb.: force  5.0%  pme mesh/force 0.651
           Step           Time
      207290000   414580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95321e+03    2.01686e+04    1.32407e+04    1.18053e+03   -3.08668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87292e+03    9.29643e+04    3.98774e+05   -2.33405e+04   -2.97036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65097e+04   -2.44112e+06    4.79462e+05   -1.96166e+06    2.18121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.06479e+02    1.81638e+01    4.41013e-06


DD  step 207294999  vol min/aver 0.604  load imb.: force  4.6%  pme mesh/force 0.652
           Step           Time
      207295000   414590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06064e+03    1.94599e+04    1.31306e+04    1.26364e+03   -3.06224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93911e+03    9.27988e+04    4.00862e+05   -2.33573e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66526e+04   -2.44551e+06    4.80362e+05   -1.96514e+06    2.18126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11427e+02   -2.06774e+02    5.42569e+00    4.58313e-06


DD  step 207299999  vol min/aver 0.635  load imb.: force  4.1%  pme mesh/force 0.639
           Step           Time
      207300000   414600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10418e+03    1.94883e+04    1.29821e+04    1.18337e+03   -3.03558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76792e+03    9.26805e+04    4.00604e+05   -2.33893e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63596e+04   -2.44673e+06    4.78495e+05   -1.96824e+06    2.18132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10217e+02   -2.07342e+02   -1.14879e+01    4.53969e-06


DD  step 207304999  vol min/aver 0.636  load imb.: force  6.2%  pme mesh/force 0.684
           Step           Time
      207305000   414610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03064e+03    1.93322e+04    1.30059e+04    1.26765e+03   -3.06315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78955e+03    9.31155e+04    4.02959e+05   -2.34290e+04   -2.98078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66268e+04   -2.44815e+06    4.79768e+05   -1.96838e+06    2.18138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11042e+02   -2.08045e+02    6.86180e+01    4.48096e-06


DD  step 207309999  vol min/aver 0.665  load imb.: force  7.4%  pme mesh/force 0.712
           Step           Time
      207310000   414620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17476e+03    2.00102e+04    1.28827e+04    1.14081e+03   -3.05389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78970e+03    9.23614e+04    4.01865e+05   -2.33605e+04   -2.97921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65754e+04   -2.44782e+06    4.80286e+05   -1.96754e+06    2.18144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.06832e+02   -1.82854e+01    4.45283e-06


DD  step 207314999  vol min/aver 0.670  load imb.: force  3.6%  pme mesh/force 0.654
           Step           Time
      207315000   414630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36394e+03    1.99864e+04    1.29193e+04    1.24922e+03   -3.02523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68962e+03    9.22087e+04    4.02521e+05   -2.33611e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66310e+04   -2.44636e+06    4.80936e+05   -1.96542e+06    2.18150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11799e+02   -2.06842e+02   -1.59023e+00    4.36825e-06


DD  step 207319999  vol min/aver 0.674  load imb.: force  5.8%  pme mesh/force 0.675
           Step           Time
      207320000   414640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15808e+03    1.93959e+04    1.30156e+04    1.19077e+03   -3.05427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83589e+03    9.24236e+04    3.98525e+05   -2.33664e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63948e+04   -2.44720e+06    4.79477e+05   -1.96773e+06    2.18155e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10854e+02   -2.06937e+02   -1.03114e+02    4.38246e-06


DD  step 207324999  vol min/aver 0.631  load imb.: force  5.9%  pme mesh/force 0.659
           Step           Time
      207325000   414650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03460e+03    1.94165e+04    1.30234e+04    1.11442e+03   -3.12595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78612e+03    9.29180e+04    4.01507e+05   -2.33421e+04   -2.97923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67029e+04   -2.44820e+06    4.77373e+05   -1.97082e+06    2.18161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09489e+02   -2.06506e+02   -4.37307e+01    4.38357e-06


DD  step 207329999  vol min/aver 0.638  load imb.: force  4.5%  pme mesh/force 0.646
           Step           Time
      207330000   414660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19624e+03    1.95944e+04    1.29868e+04    1.19373e+03   -3.05515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84308e+03    9.27449e+04    4.01488e+05   -2.34090e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63218e+04   -2.44739e+06    4.80841e+05   -1.96655e+06    2.18167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11738e+02   -2.07691e+02    3.90157e+01    4.44666e-06


DD  step 207334999  vol min/aver 0.660  load imb.: force  3.8%  pme mesh/force 0.658
           Step           Time
      207335000   414670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94421e+03    1.92648e+04    1.31480e+04    1.16570e+03   -3.02404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79241e+03    9.30102e+04    4.02129e+05   -2.33842e+04   -2.98204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65471e+04   -2.45044e+06    4.80769e+05   -1.96967e+06    2.18172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11691e+02   -2.07251e+02    8.17924e+00    4.22975e-06


DD  step 207339999  vol min/aver 0.641  load imb.: force  4.9%  pme mesh/force 0.643
           Step           Time
      207340000   414680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86970e+03    1.95544e+04    1.30213e+04    1.19265e+03   -3.00803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75036e+03    9.27610e+04    4.02860e+05   -2.33546e+04   -2.98133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64666e+04   -2.44922e+06    4.79875e+05   -1.96934e+06    2.18178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.06727e+02   -1.75105e+01    4.28756e-06


DD  step 207344999  vol min/aver 0.599  load imb.: force  5.7%  pme mesh/force 0.680
           Step           Time
      207345000   414690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90500e+03    1.95051e+04    1.30348e+04    1.20463e+03   -2.95219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89208e+03    9.29100e+04    3.99944e+05   -2.33554e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67991e+04   -2.44521e+06    4.81590e+05   -1.96362e+06    2.18184e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12223e+02   -2.06741e+02   -7.56332e-01    4.51322e-06


DD  step 207349999  vol min/aver 0.569  load imb.: force  4.2%  pme mesh/force 0.648
           Step           Time
      207350000   414700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95678e+03    1.94900e+04    1.29486e+04    1.22352e+03   -3.06235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84214e+03    9.28328e+04    4.01559e+05   -2.33617e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64130e+04   -2.44598e+06    4.77849e+05   -1.96813e+06    2.18190e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09798e+02   -2.06853e+02    1.70263e+01    4.43744e-06


DD  step 207354999  vol min/aver 0.597  load imb.: force  6.1%  pme mesh/force 0.665
           Step           Time
      207355000   414710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99466e+03    1.92871e+04    1.30499e+04    1.15474e+03   -3.11360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70289e+03    9.24150e+04    3.98599e+05   -2.33486e+04   -2.97451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62718e+04   -2.44749e+06    4.78285e+05   -1.96921e+06    2.18195e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10080e+02   -2.06621e+02   -1.02123e+02    4.28619e-06


DD  step 207359999  vol min/aver 0.622  load imb.: force  3.5%  pme mesh/force 0.659
           Step           Time
      207360000   414720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96023e+03    1.95787e+04    1.29572e+04    1.21367e+03   -2.95573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78901e+03    9.27409e+04    4.00581e+05   -2.33655e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65806e+04   -2.44625e+06    4.80538e+05   -1.96571e+06    2.18201e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.06921e+02   -4.17876e+01    4.16296e-06


DD  step 207364999  vol min/aver 0.616  load imb.: force  4.0%  pme mesh/force 0.637
           Step           Time
      207365000   414730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92593e+03    1.95025e+04    1.28398e+04    1.25502e+03   -3.10342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92321e+03    9.27507e+04    3.99599e+05   -2.34045e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64572e+04   -2.44729e+06    4.79367e+05   -1.96792e+06    2.18207e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10782e+02   -2.07611e+02   -1.60542e+00    4.18321e-06


DD  step 207369999  vol min/aver 0.587  load imb.: force  4.8%  pme mesh/force 0.647
           Step           Time
      207370000   414740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15934e+03    1.92048e+04    1.30000e+04    1.21256e+03   -3.18070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94498e+03    9.30842e+04    4.03384e+05   -2.33779e+04   -2.97985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65987e+04   -2.44682e+06    4.80051e+05   -1.96677e+06    2.18213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11225e+02   -2.07139e+02    1.00777e+02    4.26217e-06


DD  step 207374999  vol min/aver 0.597  load imb.: force  4.2%  pme mesh/force 0.651
           Step           Time
      207375000   414750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03619e+03    1.96495e+04    1.30600e+04    1.20778e+03   -3.12726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91064e+03    9.27865e+04    4.00913e+05   -2.33654e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63752e+04   -2.44574e+06    4.79473e+05   -1.96627e+06    2.18219e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10851e+02   -2.06918e+02    4.26152e+00    4.28316e-06


DD  step 207379999  vol min/aver 0.543  load imb.: force  4.8%  pme mesh/force 0.643
           Step           Time
      207380000   414760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80648e+03    1.94722e+04    1.31582e+04    1.20798e+03   -3.01439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85492e+03    9.33539e+04    4.02705e+05   -2.33711e+04   -2.98146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63889e+04   -2.44890e+06    4.78980e+05   -1.96992e+06    2.18224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10531e+02   -2.07019e+02    4.15491e+01    4.19355e-06


DD  step 207384999  vol min/aver 0.601  load imb.: force  4.2%  pme mesh/force 0.649
           Step           Time
      207385000   414770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88791e+03    1.96780e+04    1.32528e+04    1.25231e+03   -3.14113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87536e+03    9.29526e+04    3.98631e+05   -2.33664e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65202e+04   -2.44848e+06    4.78930e+05   -1.96955e+06    2.18230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10499e+02   -2.06936e+02   -6.46255e+01    4.26214e-06


DD  step 207389999  vol min/aver 0.605  load imb.: force  4.4%  pme mesh/force 0.637
           Step           Time
      207390000   414780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95453e+03    1.94208e+04    1.31091e+04    1.13863e+03   -3.09640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87476e+03    9.31806e+04    3.98379e+05   -2.33969e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64780e+04   -2.44850e+06    4.77417e+05   -1.97109e+06    2.18236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09518e+02   -2.07476e+02   -5.88967e+01    4.27742e-06


DD  step 207394999  vol min/aver 0.631  load imb.: force  5.0%  pme mesh/force 0.655
           Step           Time
      207395000   414790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93311e+03    1.91980e+04    1.30000e+04    1.19356e+03   -3.06627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79893e+03    9.28233e+04    4.02344e+05   -2.34494e+04   -2.97834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64547e+04   -2.44711e+06    4.77526e+05   -1.96959e+06    2.18242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09589e+02   -2.08407e+02    1.15463e+02    4.24087e-06


DD  step 207399999  vol min/aver 0.618  load imb.: force  5.3%  pme mesh/force 0.658
           Step           Time
      207400000   414800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89254e+03    1.93067e+04    1.30359e+04    1.10752e+03   -3.11773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85792e+03    9.34270e+04    4.00305e+05   -2.33419e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66574e+04   -2.44712e+06    4.80259e+05   -1.96686e+06    2.18247e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.06503e+02    4.20929e-01    4.16092e-06


DD  step 207404999  vol min/aver 0.603  load imb.: force  4.5%  pme mesh/force 0.661
           Step           Time
      207405000   414810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90900e+03    1.94488e+04    1.32676e+04    1.25465e+03   -3.03885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82655e+03    9.30135e+04    4.00866e+05   -2.33563e+04   -2.97797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65945e+04   -2.44719e+06    4.77835e+05   -1.96935e+06    2.18253e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09789e+02   -2.06758e+02   -5.18192e+01    4.12703e-06


DD  step 207409999  vol min/aver 0.612  load imb.: force  3.8%  pme mesh/force 0.643
           Step           Time
      207410000   414820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93352e+03    1.94970e+04    1.32149e+04    1.21093e+03   -3.04101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85718e+03    9.29104e+04    3.98324e+05   -2.33357e+04   -2.97119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66306e+04   -2.44299e+06    4.80489e+05   -1.96250e+06    2.18258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11510e+02   -2.06393e+02   -3.49959e+01    4.27669e-06


DD  step 207414999  vol min/aver 0.648  load imb.: force  5.2%  pme mesh/force 0.668
           Step           Time
      207415000   414830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16341e+03    1.90240e+04    1.29498e+04    1.09459e+03   -3.16289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73599e+03    9.31617e+04    4.00691e+05   -2.33982e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66499e+04   -2.44751e+06    4.81728e+05   -1.96578e+06    2.18264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12313e+02   -2.07499e+02   -2.63483e+01    4.34096e-06


DD  step 207419999  vol min/aver 0.658  load imb.: force  3.8%  pme mesh/force 0.644
           Step           Time
      207420000   414840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10929e+03    1.91939e+04    1.29352e+04    1.21032e+03   -3.08889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82468e+03    9.33334e+04    3.99787e+05   -2.33332e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65883e+04   -2.44749e+06    4.77486e+05   -1.97001e+06    2.18270e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09562e+02   -2.06349e+02   -1.21231e+01    4.20682e-06


DD  step 207424999  vol min/aver 0.596  load imb.: force  4.6%  pme mesh/force 0.655
           Step           Time
      207425000   414850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98621e+03    1.93428e+04    1.30156e+04    1.14238e+03   -3.14597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98268e+03    9.32823e+04    4.00587e+05   -2.33376e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64839e+04   -2.44669e+06    4.81516e+05   -1.96517e+06    2.18276e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.06426e+02    1.34635e+01    4.25492e-06


DD  step 207429999  vol min/aver 0.634  load imb.: force  4.0%  pme mesh/force 0.649
           Step           Time
      207430000   414860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97608e+03    1.96211e+04    1.29314e+04    1.13697e+03   -3.06845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88635e+03    9.33655e+04    4.03438e+05   -2.34289e+04   -2.98074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62881e+04   -2.44759e+06    4.79566e+05   -1.96803e+06    2.18282e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.08044e+02    1.20163e+02    4.25106e-06


DD  step 207434999  vol min/aver 0.608  load imb.: force  4.9%  pme mesh/force 0.641
           Step           Time
      207435000   414870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16158e+03    1.97925e+04    1.29610e+04    1.17695e+03   -3.06482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83133e+03    9.27612e+04    4.02261e+05   -2.34037e+04   -2.98076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66213e+04   -2.44866e+06    4.79945e+05   -1.96872e+06    2.18288e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11157e+02   -2.07597e+02    3.94903e+01    4.19573e-06


DD  step 207439999  vol min/aver 0.603  load imb.: force  3.2%  pme mesh/force 0.646
           Step           Time
      207440000   414880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19394e+03    1.90899e+04    1.30170e+04    1.10872e+03   -3.09125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92725e+03    9.28890e+04    3.99004e+05   -2.33237e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64960e+04   -2.44779e+06    4.77735e+05   -1.97005e+06    2.18293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09724e+02   -2.06182e+02   -7.40302e+01    4.21010e-06


DD  step 207444999  vol min/aver 0.619  load imb.: force  6.6%  pme mesh/force 0.665
           Step           Time
      207445000   414890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02289e+03    1.89596e+04    1.31074e+04    1.21516e+03   -3.04459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73907e+03    9.31894e+04    3.99865e+05   -2.34003e+04   -2.98117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64544e+04   -2.45206e+06    4.80099e+05   -1.97196e+06    2.18299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11257e+02   -2.07536e+02   -9.43877e+01    4.10454e-06


DD  step 207449999  vol min/aver 0.580  load imb.: force  7.1%  pme mesh/force 0.663
           Step           Time
      207450000   414900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00871e+03    1.95365e+04    1.32464e+04    1.20815e+03   -3.09065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85950e+03    9.31373e+04    4.00789e+05   -2.33897e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64678e+04   -2.44730e+06    4.78475e+05   -1.96883e+06    2.18305e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10204e+02   -2.07348e+02   -5.45938e+01    4.20990e-06


DD  step 207454999  vol min/aver 0.552  load imb.: force  5.0%  pme mesh/force 0.643
           Step           Time
      207455000   414910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01019e+03    1.95573e+04    1.29429e+04    1.31244e+03   -3.16262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79035e+03    9.28294e+04    4.00421e+05   -2.33391e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64538e+04   -2.44445e+06    4.81572e+05   -1.96288e+06    2.18310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12212e+02   -2.06453e+02   -5.24149e+01    4.37903e-06


DD  step 207459999  vol min/aver 0.652  load imb.: force  4.2%  pme mesh/force 0.647
           Step           Time
      207460000   414920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10672e+03    1.92027e+04    1.31436e+04    1.18857e+03   -3.05636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84273e+03    9.27777e+04    4.00149e+05   -2.34008e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64238e+04   -2.44907e+06    4.78332e+05   -1.97074e+06    2.18316e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10111e+02   -2.07545e+02   -4.58988e+01    4.19905e-06


DD  step 207464999  vol min/aver 0.614  load imb.: force  5.3%  pme mesh/force 0.653
           Step           Time
      207465000   414930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90313e+03    1.97683e+04    1.31251e+04    1.17137e+03   -2.99685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85321e+03    9.28871e+04    3.98693e+05   -2.33762e+04   -2.97453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64257e+04   -2.44608e+06    4.80718e+05   -1.96536e+06    2.18321e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11658e+02   -2.07110e+02   -2.78686e+01    4.06587e-06

Writing checkpoint, step 207467700 at Tue Nov  7 10:46:28 2023



DD  step 207469999  vol min/aver 0.606  load imb.: force  4.6%  pme mesh/force 0.653
           Step           Time
      207470000   414940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04052e+03    1.97590e+04    1.27978e+04    1.12606e+03   -2.96627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81842e+03    9.29466e+04    4.00450e+05   -2.33810e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65461e+04   -2.44682e+06    4.81189e+05   -1.96563e+06    2.18327e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11963e+02   -2.07195e+02    2.94412e+01    4.22918e-06


DD  step 207474999  vol min/aver 0.645  load imb.: force  4.3%  pme mesh/force 0.649
           Step           Time
      207475000   414950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11714e+03    1.96481e+04    1.31361e+04    1.21914e+03   -2.99893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76269e+03    9.27948e+04    4.02032e+05   -2.34099e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67762e+04   -2.44564e+06    4.79365e+05   -1.96628e+06    2.18333e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10781e+02   -2.07706e+02    7.74805e+01    4.21416e-06


DD  step 207479999  vol min/aver 0.659  load imb.: force  4.7%  pme mesh/force 0.641
           Step           Time
      207480000   414960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29413e+03    1.92000e+04    1.29502e+04    1.21427e+03   -3.06793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82663e+03    9.30462e+04    3.99261e+05   -2.33737e+04   -2.97351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65407e+04   -2.44462e+06    4.81778e+05   -1.96284e+06    2.18339e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12345e+02   -2.07065e+02   -1.25634e+01    4.18122e-06


DD  step 207484999  vol min/aver 0.627  load imb.: force  4.4%  pme mesh/force 0.643
           Step           Time
      207485000   414970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98433e+03    1.96482e+04    1.29303e+04    1.21799e+03   -3.01438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74911e+03    9.23733e+04    4.01492e+05   -2.33668e+04   -2.97927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65157e+04   -2.44874e+06    4.81214e+05   -1.96753e+06    2.18344e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11980e+02   -2.06943e+02   -1.27501e+01    4.14207e-06


DD  step 207489999  vol min/aver 0.658  load imb.: force  4.9%  pme mesh/force 0.656
           Step           Time
      207490000   414980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00319e+03    1.95463e+04    1.29406e+04    1.23469e+03   -3.02899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90847e+03    9.31421e+04    4.01817e+05   -2.33894e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62669e+04   -2.44733e+06    4.78843e+05   -1.96848e+06    2.18350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.07343e+02    6.68144e+01    4.20774e-06


DD  step 207494999  vol min/aver 0.632  load imb.: force  4.4%  pme mesh/force 0.647
           Step           Time
      207495000   414990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00404e+03    1.91516e+04    1.30786e+04    1.14334e+03   -3.06359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86111e+03    9.30850e+04    4.02918e+05   -2.33726e+04   -2.98161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63983e+04   -2.44941e+06    4.81216e+05   -1.96819e+06    2.18356e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11981e+02   -2.07045e+02    2.89443e+01    4.18212e-06


DD  step 207499999  vol min/aver 0.638  load imb.: force  4.7%  pme mesh/force 0.647
           Step           Time
      207500000   415000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99813e+03    1.95336e+04    1.31839e+04    1.26473e+03   -3.07768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86374e+03    9.25857e+04    3.98763e+05   -2.33906e+04   -2.97420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63232e+04   -2.44615e+06    4.80721e+05   -1.96543e+06    2.18362e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11660e+02   -2.07364e+02   -3.43719e+01    4.13533e-06


DD  step 207504999  vol min/aver 0.620  load imb.: force  4.2%  pme mesh/force 0.650
           Step           Time
      207505000   415010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13125e+03    1.99229e+04    1.29562e+04    1.10505e+03   -3.06060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94839e+03    9.29217e+04    4.01406e+05   -2.33718e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65147e+04   -2.44443e+06    4.80627e+05   -1.96380e+06    2.18368e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.07032e+02    7.05761e+01    4.20142e-06


DD  step 207509999  vol min/aver 0.619  load imb.: force  5.0%  pme mesh/force 0.639
           Step           Time
      207510000   415020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18454e+03    1.95080e+04    1.30823e+04    1.22537e+03   -3.07874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75498e+03    9.25013e+04    4.00054e+05   -2.33803e+04   -2.97821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63530e+04   -2.44901e+06    4.79942e+05   -1.96906e+06    2.18373e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.07181e+02   -9.86450e+01    4.22429e-06


DD  step 207514999  vol min/aver 0.642  load imb.: force  7.0%  pme mesh/force 0.686
           Step           Time
      207515000   415030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90565e+03    1.90899e+04    1.29720e+04    1.11555e+03   -3.16283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94834e+03    9.33300e+04    4.01548e+05   -2.33371e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65026e+04   -2.44943e+06    4.81388e+05   -1.96804e+06    2.18379e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12092e+02   -2.06418e+02    3.27528e+01    4.40515e-06


DD  step 207519999  vol min/aver 0.644  load imb.: force  4.1%  pme mesh/force 0.641
           Step           Time
      207520000   415040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09117e+03    1.93165e+04    1.30557e+04    1.14335e+03   -3.18073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78212e+03    9.29268e+04    4.01469e+05   -2.33832e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63702e+04   -2.44714e+06    4.79393e+05   -1.96774e+06    2.18385e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.07233e+02   -2.62066e+01    4.24579e-06


DD  step 207524999  vol min/aver 0.661  load imb.: force  4.6%  pme mesh/force 0.647
           Step           Time
      207525000   415050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96615e+03    1.96468e+04    1.32272e+04    1.20041e+03   -3.16647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84682e+03    9.25193e+04    4.04569e+05   -2.33822e+04   -2.98214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65283e+04   -2.44819e+06    4.79932e+05   -1.96826e+06    2.18391e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11148e+02   -2.07216e+02    9.00536e+01    4.27987e-06


DD  step 207529999  vol min/aver 0.656  load imb.: force  3.9%  pme mesh/force 0.651
           Step           Time
      207530000   415060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89312e+03    1.92947e+04    1.30005e+04    1.17366e+03   -3.06325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.11120e+03    9.34366e+04    3.97619e+05   -2.33928e+04   -2.97485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64136e+04   -2.44736e+06    4.80334e+05   -1.96703e+06    2.18397e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.07403e+02   -1.18472e+01    4.25703e-06


DD  step 207534999  vol min/aver 0.688  load imb.: force  4.7%  pme mesh/force 0.640
           Step           Time
      207535000   415070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77651e+03    1.92174e+04    1.30619e+04    1.21227e+03   -3.01202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89920e+03    9.29503e+04    3.98915e+05   -2.34000e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65023e+04   -2.44976e+06    4.78404e+05   -1.97136e+06    2.18402e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10158e+02   -2.07531e+02   -4.14038e+01    4.20515e-06


DD  step 207539999  vol min/aver 0.648  load imb.: force  3.3%  pme mesh/force 0.651
           Step           Time
      207540000   415080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90837e+03    1.92659e+04    1.28195e+04    1.09405e+03   -2.99701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90683e+03    9.21908e+04    3.98763e+05   -2.34013e+04   -2.97504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67280e+04   -2.44776e+06    4.76580e+05   -1.97118e+06    2.18408e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08975e+02   -2.07554e+02   -3.21415e+01    4.34199e-06


DD  step 207544999  vol min/aver 0.661  load imb.: force  4.3%  pme mesh/force 0.653
           Step           Time
      207545000   415090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08725e+03    1.96018e+04    1.29960e+04    1.23337e+03   -3.04539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83602e+03    9.23554e+04    4.00000e+05   -2.33932e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64218e+04   -2.44512e+06    4.79876e+05   -1.96525e+06    2.18414e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11112e+02   -2.07411e+02    2.33908e+01    4.22500e-06


DD  step 207549999  vol min/aver 0.604  load imb.: force  4.3%  pme mesh/force 0.670
           Step           Time
      207550000   415100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20150e+03    1.91973e+04    1.31110e+04    1.26446e+03   -3.08309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81217e+03    9.30032e+04    4.00552e+05   -2.33706e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64562e+04   -2.44587e+06    4.81179e+05   -1.96469e+06    2.18419e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11957e+02   -2.07011e+02   -2.39500e+01    4.16800e-06


DD  step 207554999  vol min/aver 0.652  load imb.: force  3.9%  pme mesh/force 0.657
           Step           Time
      207555000   415110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01400e+03    1.95157e+04    1.29691e+04    1.19048e+03   -3.04969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84058e+03    9.25840e+04    3.97589e+05   -2.33708e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66647e+04   -2.44773e+06    4.80971e+05   -1.96676e+06    2.18425e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11822e+02   -2.07014e+02   -5.86606e+01    4.31798e-06


DD  step 207559999  vol min/aver 0.662  load imb.: force  6.5%  pme mesh/force 0.669
           Step           Time
      207560000   415120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74214e+03    1.91781e+04    1.29639e+04    1.22823e+03   -3.06354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88125e+03    9.25838e+04    4.01521e+05   -2.34006e+04   -2.98224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61861e+04   -2.45242e+06    4.80589e+05   -1.97183e+06    2.18431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11574e+02   -2.07542e+02   -1.25208e+01    4.09095e-06


DD  step 207564999  vol min/aver 0.621  load imb.: force  5.1%  pme mesh/force 0.657
           Step           Time
      207565000   415130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96020e+03    1.91569e+04    1.30681e+04    1.20186e+03   -3.09049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84284e+03    9.26313e+04    3.99902e+05   -2.33624e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64455e+04   -2.44986e+06    4.78299e+05   -1.97156e+06    2.18437e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10090e+02   -2.06865e+02   -5.01455e+01    4.16718e-06


DD  step 207569999  vol min/aver 0.594  load imb.: force  6.0%  pme mesh/force 0.661
           Step           Time
      207570000   415140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18300e+03    1.95318e+04    1.31146e+04    1.16003e+03   -3.12615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67830e+03    9.25547e+04    4.00160e+05   -2.34132e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64975e+04   -2.44934e+06    4.79457e+05   -1.96988e+06    2.18443e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10841e+02   -2.07765e+02   -6.37944e+01    4.16021e-06


DD  step 207574999  vol min/aver 0.600  load imb.: force  4.8%  pme mesh/force 0.643
           Step           Time
      207575000   415150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80246e+03    1.97547e+04    1.31248e+04    1.31982e+03   -3.09863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91271e+03    9.30592e+04    4.03121e+05   -2.34161e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65867e+04   -2.44520e+06    4.79517e+05   -1.96568e+06    2.18448e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10880e+02   -2.07817e+02    1.27180e+02    4.21460e-06


DD  step 207579999  vol min/aver 0.630  load imb.: force  5.5%  pme mesh/force 0.636
           Step           Time
      207580000   415160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28760e+03    1.93368e+04    1.30008e+04    1.21604e+03   -3.03995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77643e+03    9.30050e+04    3.99102e+05   -2.33765e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65760e+04   -2.44679e+06    4.80170e+05   -1.96662e+06    2.18454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.07115e+02   -6.19653e+01    4.13342e-06


DD  step 207584999  vol min/aver 0.582  load imb.: force  4.3%  pme mesh/force 0.641
           Step           Time
      207585000   415170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11454e+03    1.93990e+04    1.30854e+04    1.20066e+03   -3.03863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69465e+03    9.22220e+04    3.99879e+05   -2.33269e+04   -2.97495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65870e+04   -2.44614e+06    4.79631e+05   -1.96650e+06    2.18460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10953e+02   -2.06237e+02   -6.38996e+01    4.18645e-06


DD  step 207589999  vol min/aver 0.593  load imb.: force  3.9%  pme mesh/force 0.661
           Step           Time
      207590000   415180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08598e+03    1.91820e+04    1.31914e+04    1.14021e+03   -3.09866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86501e+03    9.30964e+04    3.99833e+05   -2.33572e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66129e+04   -2.44543e+06    4.78191e+05   -1.96724e+06    2.18466e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10020e+02   -2.06773e+02   -2.32331e+01    4.31236e-06


DD  step 207594999  vol min/aver 0.640  load imb.: force  3.9%  pme mesh/force 0.647
           Step           Time
      207595000   415190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02932e+03    1.96224e+04    1.31298e+04    1.13327e+03   -3.03892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77456e+03    9.31183e+04    3.99615e+05   -2.34329e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63723e+04   -2.44743e+06    4.79743e+05   -1.96768e+06    2.18472e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11026e+02   -2.08115e+02    1.58662e+00    4.30108e-06


DD  step 207599999  vol min/aver 0.646  load imb.: force  3.6%  pme mesh/force 0.659
           Step           Time
      207600000   415200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07451e+03    1.94765e+04    1.31619e+04    1.17578e+03   -3.08566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94459e+03    9.29863e+04    4.01605e+05   -2.33316e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65889e+04   -2.44723e+06    4.80813e+05   -1.96642e+06    2.18478e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11720e+02   -2.06321e+02    3.87874e+01    4.35764e-06


DD  step 207604999  vol min/aver 0.616  load imb.: force  5.7%  pme mesh/force 0.652
           Step           Time
      207605000   415210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96820e+03    1.96616e+04    1.30084e+04    1.12845e+03   -3.04152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75977e+03    9.30107e+04    4.00791e+05   -2.34002e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64065e+04   -2.44903e+06    4.80285e+05   -1.96874e+06    2.18483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.07535e+02    4.84269e+01    4.49821e-06


DD  step 207609999  vol min/aver 0.597  load imb.: force  3.6%  pme mesh/force 0.644
           Step           Time
      207610000   415220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05981e+03    1.94464e+04    1.32077e+04    1.16990e+03   -3.05508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82498e+03    9.28598e+04    4.02524e+05   -2.33517e+04   -2.98007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64971e+04   -2.44788e+06    4.81230e+05   -1.96665e+06    2.18489e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11990e+02   -2.06676e+02    3.24504e+01    4.34635e-06


DD  step 207614999  vol min/aver 0.587  load imb.: force  4.5%  pme mesh/force 0.656
           Step           Time
      207615000   415230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98173e+03    1.94463e+04    1.29741e+04    1.12710e+03   -3.09965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87399e+03    9.28451e+04    4.00475e+05   -2.33965e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66176e+04   -2.44715e+06    4.79136e+05   -1.96801e+06    2.18495e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.07469e+02   -3.34889e+01    4.11939e-06


DD  step 207619999  vol min/aver 0.599  load imb.: force  5.6%  pme mesh/force 0.649
           Step           Time
      207620000   415240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98637e+03    1.97638e+04    1.29052e+04    1.15344e+03   -2.94464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78279e+03    9.27768e+04    3.97921e+05   -2.33318e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65893e+04   -2.44723e+06    4.80915e+05   -1.96631e+06    2.18501e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11786e+02   -2.06325e+02   -8.86615e+01    4.08855e-06


DD  step 207624999  vol min/aver 0.576  load imb.: force  3.6%  pme mesh/force 0.640
           Step           Time
      207625000   415250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87318e+03    1.94001e+04    1.30410e+04    1.15625e+03   -3.02397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86379e+03    9.29960e+04    4.02923e+05   -2.34081e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63841e+04   -2.44862e+06    4.79848e+05   -1.96878e+06    2.18507e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11094e+02   -2.07674e+02    1.13385e+02    4.37341e-06


DD  step 207629999  vol min/aver 0.606  load imb.: force  3.8%  pme mesh/force 0.655
           Step           Time
      207630000   415260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98682e+03    1.93928e+04    1.29579e+04    1.15236e+03   -3.00248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89716e+03    9.27112e+04    4.01639e+05   -2.33418e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66473e+04   -2.44725e+06    4.79670e+05   -1.96758e+06    2.18512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.06501e+02    2.14108e+01    4.29255e-06


DD  step 207634999  vol min/aver 0.595  load imb.: force  4.7%  pme mesh/force 0.647
           Step           Time
      207635000   415270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26859e+03    1.89572e+04    1.31472e+04    1.12831e+03   -3.04540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78042e+03    9.28458e+04    3.99326e+05   -2.33876e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63588e+04   -2.44854e+06    4.78386e+05   -1.97016e+06    2.18519e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10146e+02   -2.07312e+02   -3.76436e+01    4.17967e-06


DD  step 207639999  vol min/aver 0.576  load imb.: force  4.4%  pme mesh/force 0.639
           Step           Time
      207640000   415280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92883e+03    1.98119e+04    1.30760e+04    1.19293e+03   -3.19901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84058e+03    9.28636e+04    3.98949e+05   -2.33880e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64536e+04   -2.44636e+06    4.78838e+05   -1.96752e+06    2.18524e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10439e+02   -2.07318e+02   -4.94753e+01    4.17060e-06


DD  step 207644999  vol min/aver 0.620  load imb.: force  4.5%  pme mesh/force 0.653
           Step           Time
      207645000   415290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98535e+03    1.95229e+04    1.31308e+04    1.09922e+03   -3.06891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76964e+03    9.24971e+04    3.98449e+05   -2.33494e+04   -2.97667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64736e+04   -2.44916e+06    4.79475e+05   -1.96968e+06    2.18530e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.06636e+02   -8.19461e+01    4.20110e-06


DD  step 207649999  vol min/aver 0.565  load imb.: force  5.3%  pme mesh/force 0.653
           Step           Time
      207650000   415300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02708e+03    1.92915e+04    1.30820e+04    1.11240e+03   -2.98847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85646e+03    9.30078e+04    4.00501e+05   -2.33885e+04   -2.98027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64239e+04   -2.45035e+06    4.81185e+05   -1.96916e+06    2.18535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.07327e+02   -1.83424e+01    4.24573e-06


DD  step 207654999  vol min/aver 0.630  load imb.: force  3.7%  pme mesh/force 0.659
           Step           Time
      207655000   415310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11426e+03    1.94646e+04    1.29344e+04    1.14148e+03   -2.98982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89962e+03    9.26808e+04    3.98072e+05   -2.33562e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63322e+04   -2.44720e+06    4.79884e+05   -1.96732e+06    2.18541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.06755e+02   -7.52139e+01    4.38944e-06


DD  step 207659999  vol min/aver 0.628  load imb.: force  4.4%  pme mesh/force 0.647
           Step           Time
      207660000   415320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96798e+03    1.93150e+04    1.32050e+04    1.27154e+03   -3.04432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81579e+03    9.29173e+04    4.02101e+05   -2.33847e+04   -2.97971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65415e+04   -2.44800e+06    4.79133e+05   -1.96887e+06    2.18548e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10631e+02   -2.07259e+02    3.39017e+01    4.35001e-06


DD  step 207664999  vol min/aver 0.628  load imb.: force  5.3%  pme mesh/force 0.649
           Step           Time
      207665000   415330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99995e+03    1.97293e+04    1.29438e+04    1.09552e+03   -3.06552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74747e+03    9.27778e+04    3.98649e+05   -2.33631e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66685e+04   -2.44858e+06    4.79251e+05   -1.96933e+06    2.18553e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.06878e+02   -1.02290e+02    4.11196e-06


DD  step 207669999  vol min/aver 0.583  load imb.: force  4.2%  pme mesh/force 0.652
           Step           Time
      207670000   415340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13248e+03    1.91060e+04    1.32707e+04    1.18895e+03   -2.99121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85842e+03    9.28784e+04    4.03428e+05   -2.33483e+04   -2.98006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63345e+04   -2.44720e+06    4.79852e+05   -1.96735e+06    2.18558e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11097e+02   -2.06616e+02    6.60546e+01    4.33925e-06


DD  step 207674999  vol min/aver 0.568  load imb.: force  3.9%  pme mesh/force 0.649
           Step           Time
      207675000   415350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86612e+03    1.93867e+04    1.30289e+04    1.23087e+03   -3.08470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92486e+03    9.29797e+04    4.04440e+05   -2.33753e+04   -2.98112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64505e+04   -2.44727e+06    4.77499e+05   -1.96977e+06    2.18565e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09571e+02   -2.07093e+02    1.14017e+02    4.31983e-06


DD  step 207679999  vol min/aver 0.578  load imb.: force  4.2%  pme mesh/force 0.654
           Step           Time
      207680000   415360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11148e+03    1.95923e+04    1.31222e+04    1.20327e+03   -3.03686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73108e+03    9.22792e+04    4.00330e+05   -2.33365e+04   -2.97398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62880e+04   -2.44469e+06    4.78286e+05   -1.96641e+06    2.18570e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10081e+02   -2.06407e+02   -7.25586e+01    4.53937e-06


DD  step 207684999  vol min/aver 0.541  load imb.: force  3.5%  pme mesh/force 0.642
           Step           Time
      207685000   415370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06726e+03    1.95215e+04    1.29959e+04    1.19338e+03   -3.06591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89897e+03    9.26436e+04    4.01268e+05   -2.33525e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65769e+04   -2.44560e+06    4.80000e+05   -1.96560e+06    2.18576e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.06691e+02    1.73275e+01    4.34164e-06


DD  step 207689999  vol min/aver 0.603  load imb.: force  6.1%  pme mesh/force 0.668
           Step           Time
      207690000   415380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18293e+03    1.95655e+04    1.30400e+04    1.18193e+03   -2.99018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92192e+03    9.21448e+04    4.00705e+05   -2.33777e+04   -2.97461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64711e+04   -2.44477e+06    4.79871e+05   -1.96490e+06    2.18582e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.07136e+02    6.19137e+01    4.22265e-06


DD  step 207694999  vol min/aver 0.591  load imb.: force  6.9%  pme mesh/force 0.666
           Step           Time
      207695000   415390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97910e+03    1.94440e+04    1.31771e+04    1.15271e+03   -2.98402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77023e+03    9.28423e+04    3.99192e+05   -2.33524e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65282e+04   -2.45045e+06    4.80573e+05   -1.96988e+06    2.18587e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.06689e+02   -1.35256e+02    4.31083e-06


DD  step 207699999  vol min/aver 0.592  load imb.: force  4.2%  pme mesh/force 0.644
           Step           Time
      207700000   415400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03530e+03    1.96499e+04    1.28550e+04    1.18602e+03   -3.01194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94572e+03    9.28181e+04    3.99648e+05   -2.33377e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64635e+04   -2.44621e+06    4.81068e+05   -1.96515e+06    2.18594e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11885e+02   -2.06428e+02   -4.16922e+01    4.22827e-06


DD  step 207704999  vol min/aver 0.555  load imb.: force  4.3%  pme mesh/force 0.651
           Step           Time
      207705000   415410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96013e+03    1.95174e+04    1.30448e+04    1.08507e+03   -3.10081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81870e+03    9.30086e+04    3.97905e+05   -2.33734e+04   -2.97399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66003e+04   -2.44652e+06    4.78881e+05   -1.96764e+06    2.18600e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.07061e+02   -8.92999e+01    4.29867e-06


DD  step 207709999  vol min/aver 0.574  load imb.: force  5.9%  pme mesh/force 0.649
           Step           Time
      207710000   415420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14459e+03    1.98670e+04    1.31071e+04    1.16906e+03   -3.05822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78878e+03    9.17742e+04    4.02607e+05   -2.33907e+04   -2.98153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63871e+04   -2.45014e+06    4.79962e+05   -1.97017e+06    2.18605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.07366e+02    1.25804e+00    4.37486e-06


DD  step 207714999  vol min/aver 0.561  load imb.: force  4.8%  pme mesh/force 0.648
           Step           Time
      207715000   415430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16029e+03    1.97028e+04    1.30694e+04    1.08565e+03   -3.08084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87703e+03    9.24482e+04    4.00878e+05   -2.33663e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65902e+04   -2.44596e+06    4.80573e+05   -1.96539e+06    2.18611e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.06934e+02    1.52552e+01    4.37837e-06


DD  step 207719999  vol min/aver 0.570  load imb.: force  4.7%  pme mesh/force 0.644
           Step           Time
      207720000   415440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19900e+03    1.93324e+04    1.30495e+04    1.28997e+03   -2.97738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87247e+03    9.24885e+04    3.99512e+05   -2.33810e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63782e+04   -2.44752e+06    4.81055e+05   -1.96647e+06    2.18617e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11877e+02   -2.07195e+02   -4.07202e+01    4.37229e-06


DD  step 207724999  vol min/aver 0.559  load imb.: force  4.7%  pme mesh/force 0.645
           Step           Time
      207725000   415450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03139e+03    1.93750e+04    1.32767e+04    1.23252e+03   -3.12167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66099e+03    9.30424e+04    3.98126e+05   -2.34260e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64206e+04   -2.44765e+06    4.80141e+05   -1.96751e+06    2.18623e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.07992e+02   -5.74838e+01    4.18536e-06


DD  step 207729999  vol min/aver 0.577  load imb.: force  4.1%  pme mesh/force 0.650
           Step           Time
      207730000   415460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98968e+03    1.94399e+04    1.31722e+04    1.30829e+03   -3.06771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77611e+03    9.32624e+04    4.01195e+05   -2.33748e+04   -2.97846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64015e+04   -2.44735e+06    4.79045e+05   -1.96831e+06    2.18629e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10574e+02   -2.07086e+02   -1.95146e+01    4.40547e-06


DD  step 207734999  vol min/aver 0.552  load imb.: force  5.0%  pme mesh/force 0.652
           Step           Time
      207735000   415470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82748e+03    1.93391e+04    1.29685e+04    1.27318e+03   -3.03780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88840e+03    9.24260e+04    4.00899e+05   -2.33959e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66541e+04   -2.44983e+06    4.77848e+05   -1.97198e+06    2.18634e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09797e+02   -2.07458e+02   -1.41353e+01    4.21527e-06


DD  step 207739999  vol min/aver 0.545  load imb.: force  5.4%  pme mesh/force 0.635
           Step           Time
      207740000   415480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80309e+03    1.95858e+04    1.32277e+04    1.22563e+03   -3.03283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81274e+03    9.30725e+04    4.01550e+05   -2.33821e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63651e+04   -2.44686e+06    4.79751e+05   -1.96711e+06    2.18640e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11031e+02   -2.07214e+02    1.85756e+01    4.33794e-06


DD  step 207744999  vol min/aver 0.544  load imb.: force  4.2%  pme mesh/force 0.652
           Step           Time
      207745000   415490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99413e+03    1.98815e+04    1.31702e+04    1.17427e+03   -3.08443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89759e+03    9.21761e+04    4.02117e+05   -2.33862e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64553e+04   -2.44476e+06    4.79925e+05   -1.96483e+06    2.18646e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11144e+02   -2.07286e+02    7.05533e+01    4.35876e-06


DD  step 207749999  vol min/aver 0.618  load imb.: force  4.0%  pme mesh/force 0.658
           Step           Time
      207750000   415500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18008e+03    1.94640e+04    1.31960e+04    1.21427e+03   -3.09084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78894e+03    9.25036e+04    4.01539e+05   -2.33881e+04   -2.98040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64758e+04   -2.44952e+06    4.78957e+05   -1.97057e+06    2.18652e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.07320e+02   -1.59021e+01    4.24246e-06


DD  step 207754999  vol min/aver 0.526  load imb.: force  4.0%  pme mesh/force 0.643
           Step           Time
      207755000   415510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95585e+03    1.94528e+04    1.33632e+04    1.20030e+03   -3.16931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80087e+03    9.26314e+04    3.99328e+05   -2.33782e+04   -2.97830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65049e+04   -2.44961e+06    4.80772e+05   -1.96884e+06    2.18657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11693e+02   -2.07145e+02   -4.32404e+01    4.27919e-06


DD  step 207759999  vol min/aver 0.555  load imb.: force  4.6%  pme mesh/force 0.649
           Step           Time
      207760000   415520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91049e+03    1.95229e+04    1.30392e+04    1.12197e+03   -3.10319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01638e+03    9.25901e+04    4.01035e+05   -2.33962e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65370e+04   -2.44774e+06    4.78932e+05   -1.96881e+06    2.18663e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.07463e+02    3.29034e+01    4.31944e-06


DD  step 207764999  vol min/aver 0.592  load imb.: force  4.4%  pme mesh/force 0.645
           Step           Time
      207765000   415530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95003e+03    1.92330e+04    1.30514e+04    1.19369e+03   -3.21779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98813e+03    9.29481e+04    4.01650e+05   -2.33910e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64481e+04   -2.44710e+06    4.81958e+05   -1.96514e+06    2.18668e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12462e+02   -2.07371e+02    5.57373e+01    4.52417e-06


DD  step 207769999  vol min/aver 0.588  load imb.: force  5.2%  pme mesh/force 0.645
           Step           Time
      207770000   415540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03705e+03    1.96445e+04    1.30876e+04    1.15381e+03   -3.09443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95946e+03    9.23405e+04    4.01274e+05   -2.33885e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64092e+04   -2.44599e+06    4.79558e+05   -1.96643e+06    2.18674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10906e+02   -2.07327e+02    3.83028e+01    4.41227e-06


DD  step 207774999  vol min/aver 0.596  load imb.: force  4.6%  pme mesh/force 0.652
           Step           Time
      207775000   415550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02831e+03    1.97440e+04    1.31446e+04    1.19618e+03   -3.05846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82547e+03    9.19973e+04    3.98556e+05   -2.33718e+04   -2.97109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63985e+04   -2.44363e+06    4.80565e+05   -1.96306e+06    2.18680e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11559e+02   -2.07032e+02    3.54136e+01    4.53479e-06


DD  step 207779999  vol min/aver 0.591  load imb.: force  4.8%  pme mesh/force 0.662
           Step           Time
      207780000   415560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17168e+03    1.96848e+04    1.28882e+04    1.09213e+03   -3.01082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79443e+03    9.22485e+04    3.99527e+05   -2.33431e+04   -2.97430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63346e+04   -2.44591e+06    4.81436e+05   -1.96448e+06    2.18686e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12123e+02   -2.06525e+02   -4.95546e+01    4.51978e-06


DD  step 207784999  vol min/aver 0.580  load imb.: force  6.6%  pme mesh/force 0.660
           Step           Time
      207785000   415570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85082e+03    1.94315e+04    1.32237e+04    1.16989e+03   -3.04998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97999e+03    9.21049e+04    4.02689e+05   -2.33820e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65941e+04   -2.44848e+06    4.81147e+05   -1.96733e+06    2.18691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11936e+02   -2.07212e+02    1.22649e+02    4.38283e-06


DD  step 207789999  vol min/aver 0.568  load imb.: force  4.6%  pme mesh/force 0.641
           Step           Time
      207790000   415580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11624e+03    1.97442e+04    1.31872e+04    1.19469e+03   -3.03596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86241e+03    9.21031e+04    4.01919e+05   -2.34030e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65433e+04   -2.44634e+06    4.80742e+05   -1.96560e+06    2.18697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11673e+02   -2.07585e+02    7.25121e+01    4.26689e-06


DD  step 207794999  vol min/aver 0.568  load imb.: force  5.1%  pme mesh/force 0.645
           Step           Time
      207795000   415590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00934e+03    1.97915e+04    1.30734e+04    1.19224e+03   -3.12563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78418e+03    9.21783e+04    3.99611e+05   -2.33660e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66105e+04   -2.44664e+06    4.81574e+05   -1.96506e+06    2.18703e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.06928e+02   -5.34164e+01    4.35041e-06


DD  step 207799999  vol min/aver 0.566  load imb.: force  4.8%  pme mesh/force 0.650
           Step           Time
      207800000   415600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14375e+03    1.95773e+04    1.33339e+04    1.23954e+03   -3.11524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90460e+03    9.23432e+04    3.99292e+05   -2.33458e+04   -2.97441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65054e+04   -2.44553e+06    4.80059e+05   -1.96547e+06    2.18709e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11231e+02   -2.06573e+02   -5.21472e+01    4.37029e-06


DD  step 207804999  vol min/aver 0.590  load imb.: force  3.9%  pme mesh/force 0.652
           Step           Time
      207805000   415610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00362e+03    1.92438e+04    1.32114e+04    1.20380e+03   -3.05231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85119e+03    9.27155e+04    4.01433e+05   -2.33849e+04   -2.97872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66099e+04   -2.44789e+06    4.79811e+05   -1.96807e+06    2.18715e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11070e+02   -2.07264e+02    4.63405e+01    4.46311e-06


DD  step 207809999  vol min/aver 0.564  load imb.: force  6.4%  pme mesh/force 0.676
           Step           Time
      207810000   415620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98492e+03    1.93221e+04    1.31396e+04    1.15241e+03   -3.06725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83797e+03    9.23479e+04    3.99233e+05   -2.33542e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63519e+04   -2.44915e+06    4.79566e+05   -1.96959e+06    2.18720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.06720e+02   -4.00303e+01    4.35894e-06


DD  step 207814999  vol min/aver 0.569  load imb.: force  4.7%  pme mesh/force 0.643
           Step           Time
      207815000   415630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03308e+03    1.91780e+04    1.30925e+04    1.19643e+03   -3.01578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90833e+03    9.23859e+04    4.00706e+05   -2.34216e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62656e+04   -2.44892e+06    4.80091e+05   -1.96883e+06    2.18726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11252e+02   -2.07914e+02    1.95090e+00    4.32875e-06


DD  step 207819999  vol min/aver 0.586  load imb.: force  3.9%  pme mesh/force 0.651
           Step           Time
      207820000   415640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12958e+03    1.93431e+04    1.31113e+04    1.21277e+03   -3.11170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78582e+03    9.23931e+04    4.03173e+05   -2.33592e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66474e+04   -2.44603e+06    4.79435e+05   -1.96659e+06    2.18731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10826e+02   -2.06808e+02    9.83001e+01    4.30209e-06


DD  step 207824999  vol min/aver 0.594  load imb.: force  4.1%  pme mesh/force 0.656
           Step           Time
      207825000   415650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01515e+03    1.94927e+04    1.29383e+04    1.20167e+03   -3.01281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83702e+03    9.21468e+04    4.00389e+05   -2.33510e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67499e+04   -2.44580e+06    4.79882e+05   -1.96592e+06    2.18737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11116e+02   -2.06664e+02    2.19330e+00    4.39528e-06


DD  step 207829999  vol min/aver 0.607  load imb.: force  4.5%  pme mesh/force 0.654
           Step           Time
      207830000   415660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83183e+03    1.94745e+04    1.29908e+04    1.24885e+03   -3.15174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81963e+03    9.23086e+04    4.00166e+05   -2.33953e+04   -2.97347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64257e+04   -2.44475e+06    4.80650e+05   -1.96410e+06    2.18743e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11614e+02   -2.07448e+02    1.36136e+01    4.55788e-06


DD  step 207834999  vol min/aver 0.583  load imb.: force  5.2%  pme mesh/force 0.660
           Step           Time
      207835000   415670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90391e+03    1.92708e+04    1.31647e+04    1.17150e+03   -3.07752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85326e+03    9.25030e+04    4.01009e+05   -2.33776e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64415e+04   -2.44907e+06    4.78923e+05   -1.97015e+06    2.18749e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10494e+02   -2.07135e+02   -1.62267e+01    4.48934e-06


DD  step 207839999  vol min/aver 0.622  load imb.: force  4.3%  pme mesh/force 0.650
           Step           Time
      207840000   415680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78254e+03    1.94932e+04    1.29460e+04    1.18766e+03   -3.03294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97953e+03    9.27001e+04    4.01311e+05   -2.33774e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65342e+04   -2.44730e+06    4.81256e+05   -1.96604e+06    2.18754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12007e+02   -2.07131e+02    5.46588e+01    4.43470e-06


DD  step 207844999  vol min/aver 0.587  load imb.: force  5.4%  pme mesh/force 0.646
           Step           Time
      207845000   415690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90384e+03    1.94896e+04    1.31043e+04    1.22260e+03   -3.15793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90985e+03    9.21602e+04    4.01540e+05   -2.34279e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64719e+04   -2.44617e+06    4.77986e+05   -1.96819e+06    2.18761e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09887e+02   -2.08026e+02    5.50546e+01    4.35243e-06


DD  step 207849999  vol min/aver 0.578  load imb.: force  5.0%  pme mesh/force 0.642
           Step           Time
      207850000   415700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75618e+03    1.93847e+04    1.29761e+04    1.19473e+03   -3.04199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75392e+03    9.26777e+04    4.02366e+05   -2.34191e+04   -2.98202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62662e+04   -2.45110e+06    4.79597e+05   -1.97151e+06    2.18766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07869e+02    2.40418e+01    4.33262e-06

Writing checkpoint, step 207850250 at Tue Nov  7 11:01:28 2023



DD  step 207854999  vol min/aver 0.576  load imb.: force  7.1%  pme mesh/force 0.693
           Step           Time
      207855000   415710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02879e+03    1.94933e+04    1.29941e+04    1.17396e+03   -3.01530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83698e+03    9.26410e+04    3.97434e+05   -2.33632e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64952e+04   -2.44837e+06    4.80297e+05   -1.96807e+06    2.18772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11385e+02   -2.06879e+02   -9.50408e+01    4.38635e-06


DD  step 207859999  vol min/aver 0.577  load imb.: force  6.3%  pme mesh/force 0.680
           Step           Time
      207860000   415720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88600e+03    1.98586e+04    1.32042e+04    1.10245e+03   -3.13643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78371e+03    9.22203e+04    4.00713e+05   -2.33786e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67366e+04   -2.44874e+06    4.80765e+05   -1.96798e+06    2.18778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11689e+02   -2.07152e+02   -4.03927e+01    4.52151e-06


DD  step 207864999  vol min/aver 0.549  load imb.: force  4.2%  pme mesh/force 0.651
           Step           Time
      207865000   415730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00610e+03    1.96384e+04    1.31609e+04    1.19874e+03   -3.03122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83862e+03    9.22414e+04    4.02014e+05   -2.33882e+04   -2.97939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66198e+04   -2.44809e+06    4.79604e+05   -1.96849e+06    2.18784e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10936e+02   -2.07322e+02    5.47641e+01    4.44076e-06


DD  step 207869999  vol min/aver 0.585  load imb.: force  4.7%  pme mesh/force 0.657
           Step           Time
      207870000   415740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91666e+03    1.92371e+04    1.31306e+04    1.21784e+03   -3.04751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79985e+03    9.25301e+04    4.01203e+05   -2.33402e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63287e+04   -2.44813e+06    4.79207e+05   -1.96893e+06    2.18789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10679e+02   -2.06473e+02    9.72794e-01    4.49583e-06


DD  step 207874999  vol min/aver 0.570  load imb.: force  4.0%  pme mesh/force 0.656
           Step           Time
      207875000   415750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11854e+03    1.94735e+04    1.30209e+04    1.15234e+03   -3.00877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81509e+03    9.14398e+04    4.00151e+05   -2.34046e+04   -2.97937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62990e+04   -2.45131e+06    4.80961e+05   -1.97035e+06    2.18795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11816e+02   -2.07612e+02   -6.00000e+00    4.41031e-06


DD  step 207879999  vol min/aver 0.614  load imb.: force  5.1%  pme mesh/force 0.654
           Step           Time
      207880000   415760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88024e+03    1.94182e+04    1.31256e+04    1.19613e+03   -3.02974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90699e+03    9.26042e+04    4.00678e+05   -2.34104e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64902e+04   -2.44637e+06    4.78205e+05   -1.96816e+06    2.18801e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10029e+02   -2.07716e+02    4.82937e+01    4.33592e-06


DD  step 207884999  vol min/aver 0.581  load imb.: force  5.3%  pme mesh/force 0.647
           Step           Time
      207885000   415770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82722e+03    1.94450e+04    1.30112e+04    1.32232e+03   -3.10987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93521e+03    9.29518e+04    4.00940e+05   -2.34397e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64698e+04   -2.44721e+06    4.79883e+05   -1.96733e+06    2.18807e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.08235e+02    1.03381e+02    4.34870e-06


DD  step 207889999  vol min/aver 0.595  load imb.: force  4.2%  pme mesh/force 0.637
           Step           Time
      207890000   415780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22383e+03    1.94853e+04    1.31413e+04    1.17695e+03   -3.00345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81908e+03    9.25770e+04    3.99974e+05   -2.33684e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65840e+04   -2.44699e+06    4.82215e+05   -1.96477e+06    2.18812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12629e+02   -2.06972e+02   -2.38974e+01    4.67620e-06


DD  step 207894999  vol min/aver 0.590  load imb.: force  4.7%  pme mesh/force 0.652
           Step           Time
      207895000   415790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95425e+03    1.95309e+04    1.30340e+04    1.19762e+03   -3.10068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94164e+03    9.23392e+04    3.98606e+05   -2.33400e+04   -2.97151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65458e+04   -2.44380e+06    4.81379e+05   -1.96242e+06    2.18818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12086e+02   -2.06470e+02    4.76723e+01    4.59613e-06


DD  step 207899999  vol min/aver 0.561  load imb.: force  4.9%  pme mesh/force 0.659
           Step           Time
      207900000   415800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94703e+03    1.92536e+04    1.30876e+04    1.13618e+03   -3.05954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72740e+03    9.22565e+04    4.02967e+05   -2.34005e+04   -2.98287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64958e+04   -2.45146e+06    4.81352e+05   -1.97011e+06    2.18824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12069e+02   -2.07540e+02   -2.05509e+01    4.43041e-06


DD  step 207904999  vol min/aver 0.590  load imb.: force  3.7%  pme mesh/force 0.647
           Step           Time
      207905000   415810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14373e+03    1.94596e+04    1.32327e+04    1.14953e+03   -3.04860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82368e+03    9.23380e+04    3.97357e+05   -2.33914e+04   -2.97247e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65842e+04   -2.44582e+06    4.77663e+05   -1.96816e+06    2.18830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09678e+02   -2.07379e+02   -5.10427e+01    4.54282e-06


DD  step 207909999  vol min/aver 0.535  load imb.: force  4.2%  pme mesh/force 0.646
           Step           Time
      207910000   415820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16287e+03    1.95811e+04    1.30736e+04    1.16937e+03   -3.16677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90394e+03    9.23038e+04    3.99450e+05   -2.33507e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63663e+04   -2.44629e+06    4.79018e+05   -1.96727e+06    2.18836e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10556e+02   -2.06659e+02   -1.60060e+01    4.46002e-06


DD  step 207914999  vol min/aver 0.579  load imb.: force  3.9%  pme mesh/force 0.654
           Step           Time
      207915000   415830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04279e+03    1.92986e+04    1.31364e+04    1.12847e+03   -3.01860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95495e+03    9.25338e+04    4.00740e+05   -2.34048e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64952e+04   -2.44496e+06    4.79943e+05   -1.96501e+06    2.18841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.07616e+02    7.03818e+01    4.32171e-06


DD  step 207919999  vol min/aver 0.557  load imb.: force  3.9%  pme mesh/force 0.643
           Step           Time
      207920000   415840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72848e+03    1.92040e+04    1.32397e+04    1.16328e+03   -3.06188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93810e+03    9.28885e+04    4.00771e+05   -2.33552e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65574e+04   -2.44871e+06    4.79355e+05   -1.96936e+06    2.18846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.06739e+02    1.45838e+01    4.69583e-06


DD  step 207924999  vol min/aver 0.582  load imb.: force  5.4%  pme mesh/force 0.656
           Step           Time
      207925000   415850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15721e+03    1.94307e+04    1.29499e+04    1.18156e+03   -3.06411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73500e+03    9.22704e+04    3.99994e+05   -2.34018e+04   -2.98026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63880e+04   -2.45162e+06    4.78682e+05   -1.97294e+06    2.18852e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.07562e+02   -8.93801e+01    4.37582e-06


DD  step 207929999  vol min/aver 0.558  load imb.: force  5.0%  pme mesh/force 0.643
           Step           Time
      207930000   415860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23319e+03    1.96881e+04    1.30425e+04    1.15143e+03   -2.93923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76847e+03    9.24592e+04    4.03398e+05   -2.33751e+04   -2.98284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64345e+04   -2.44998e+06    4.81228e+05   -1.96875e+06    2.18858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11989e+02   -2.07090e+02    1.90052e+01    4.47250e-06


DD  step 207934999  vol min/aver 0.563  load imb.: force  4.2%  pme mesh/force 0.656
           Step           Time
      207935000   415870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82032e+03    1.93315e+04    1.31211e+04    1.20586e+03   -3.06926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94735e+03    9.22333e+04    3.99408e+05   -2.33547e+04   -2.97528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65097e+04   -2.44713e+06    4.79722e+05   -1.96741e+06    2.18863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11013e+02   -2.06729e+02   -4.46417e+01    4.39431e-06


DD  step 207939999  vol min/aver 0.557  load imb.: force  6.3%  pme mesh/force 0.647
           Step           Time
      207940000   415880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06232e+03    1.91390e+04    1.30681e+04    1.10739e+03   -3.05248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85802e+03    9.28266e+04    4.04395e+05   -2.34013e+04   -2.98409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65207e+04   -2.45056e+06    4.77194e+05   -1.97337e+06    2.18870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09373e+02   -2.07555e+02    6.00556e+01    4.29021e-06


DD  step 207944999  vol min/aver 0.605  load imb.: force  3.6%  pme mesh/force 0.649
           Step           Time
      207945000   415890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16177e+03    1.94016e+04    1.31712e+04    1.22977e+03   -3.09112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91996e+03    9.20792e+04    4.01464e+05   -2.33550e+04   -2.97501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66645e+04   -2.44436e+06    4.82591e+05   -1.96177e+06    2.18875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12872e+02   -2.06735e+02    4.98761e+01    4.38216e-06


DD  step 207949999  vol min/aver 0.556  load imb.: force  3.5%  pme mesh/force 0.635
           Step           Time
      207950000   415900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84733e+03    1.96662e+04    1.29600e+04    1.13854e+03   -3.09539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81092e+03    9.27097e+04    3.98682e+05   -2.34232e+04   -2.97641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65131e+04   -2.44861e+06    4.79696e+05   -1.96891e+06    2.18881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.07943e+02   -3.83766e+01    4.34414e-06


DD  step 207954999  vol min/aver 0.559  load imb.: force  3.5%  pme mesh/force 0.657
           Step           Time
      207955000   415910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83457e+03    1.95527e+04    1.31343e+04    1.18609e+03   -3.18535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96244e+03    9.32185e+04    4.02959e+05   -2.33606e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65549e+04   -2.44691e+06    4.78258e+05   -1.96865e+06    2.18887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10063e+02   -2.06834e+02    5.51808e+01    4.38046e-06


DD  step 207959999  vol min/aver 0.559  load imb.: force  4.5%  pme mesh/force 0.649
           Step           Time
      207960000   415920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05644e+03    1.95150e+04    1.30000e+04    1.10420e+03   -3.06367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74534e+03    9.27469e+04    4.00814e+05   -2.33643e+04   -2.97560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63098e+04   -2.44574e+06    4.80156e+05   -1.96558e+06    2.18892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11294e+02   -2.06899e+02    3.42746e+01    4.29670e-06


DD  step 207964999  vol min/aver 0.572  load imb.: force  4.1%  pme mesh/force 0.654
           Step           Time
      207965000   415930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63919e+03    1.98711e+04    1.31423e+04    1.25775e+03   -3.03203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91148e+03    9.26443e+04    4.02163e+05   -2.34096e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63742e+04   -2.44830e+06    4.79739e+05   -1.96856e+06    2.18899e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11024e+02   -2.07702e+02    6.19322e+01    4.55189e-06


DD  step 207969999  vol min/aver 0.572  load imb.: force  4.6%  pme mesh/force 0.640
           Step           Time
      207970000   415940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04672e+03    1.92051e+04    1.30225e+04    1.21072e+03   -2.96665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84276e+03    9.29659e+04    3.99312e+05   -2.34110e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62553e+04   -2.44652e+06    4.79460e+05   -1.96706e+06    2.18904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07725e+02    1.41975e+01    4.33372e-06


DD  step 207974999  vol min/aver 0.599  load imb.: force  5.1%  pme mesh/force 0.651
           Step           Time
      207975000   415950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82151e+03    1.87635e+04    1.30191e+04    1.19899e+03   -3.09895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95189e+03    9.31154e+04    4.02020e+05   -2.33188e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65827e+04   -2.44654e+06    4.78990e+05   -1.96755e+06    2.18909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.06094e+02    4.74090e+01    4.55616e-06


DD  step 207979999  vol min/aver 0.587  load imb.: force  5.7%  pme mesh/force 0.656
           Step           Time
      207980000   415960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06400e+03    1.97018e+04    1.30375e+04    1.16954e+03   -3.21535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69816e+03    9.24918e+04    3.97377e+05   -2.33744e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66501e+04   -2.44774e+06    4.79868e+05   -1.96788e+06    2.18915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11107e+02   -2.07078e+02   -1.65457e+02    4.51902e-06


DD  step 207984999  vol min/aver 0.566  load imb.: force  4.4%  pme mesh/force 0.653
           Step           Time
      207985000   415970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15908e+03    1.95887e+04    1.31746e+04    1.22021e+03   -3.02742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86375e+03    9.30170e+04    4.02053e+05   -2.33841e+04   -2.97846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62976e+04   -2.44650e+06    4.79523e+05   -1.96698e+06    2.18921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.07249e+02    7.32163e+01    4.67761e-06


DD  step 207989999  vol min/aver 0.619  load imb.: force  4.2%  pme mesh/force 0.656
           Step           Time
      207990000   415980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15532e+03    1.99311e+04    1.30157e+04    1.15495e+03   -3.05883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79899e+03    9.25438e+04    4.02514e+05   -2.33456e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67992e+04   -2.44511e+06    4.79575e+05   -1.96554e+06    2.18927e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.06569e+02    6.06197e+00    4.54724e-06


DD  step 207994999  vol min/aver 0.589  load imb.: force  4.4%  pme mesh/force 0.648
           Step           Time
      207995000   415990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22859e+03    1.88314e+04    1.32463e+04    1.19155e+03   -3.10741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85960e+03    9.29161e+04    3.99120e+05   -2.33598e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66409e+04   -2.44747e+06    4.79855e+05   -1.96761e+06    2.18932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11098e+02   -2.06820e+02   -8.62412e+01    4.57368e-06


DD  step 207999999  vol min/aver 0.601  load imb.: force  4.4%  pme mesh/force 0.636
           Step           Time
      208000000   416000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95617e+03    1.97807e+04    1.30850e+04    1.11838e+03   -3.10199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79660e+03    9.24661e+04    3.99205e+05   -2.33377e+04   -2.97317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65392e+04   -2.44466e+06    4.80093e+05   -1.96457e+06    2.18938e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11253e+02   -2.06429e+02   -1.07511e+01    4.51945e-06


DD  step 208004999  vol min/aver 0.603  load imb.: force  5.0%  pme mesh/force 0.655
           Step           Time
      208005000   416010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03463e+03    1.95934e+04    1.29442e+04    1.19051e+03   -3.06037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81427e+03    9.26117e+04    4.02334e+05   -2.33896e+04   -2.97928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66501e+04   -2.44756e+06    4.80324e+05   -1.96723e+06    2.18944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11403e+02   -2.07347e+02    3.33371e+01    4.52138e-06


DD  step 208009999  vol min/aver 0.641  load imb.: force  4.1%  pme mesh/force 0.654
           Step           Time
      208010000   416020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97964e+03    1.95946e+04    1.32694e+04    1.22878e+03   -3.16325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77367e+03    9.28813e+04    4.00990e+05   -2.33052e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66706e+04   -2.44477e+06    4.78626e+05   -1.96615e+06    2.18950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10302e+02   -2.05855e+02   -4.68490e+01    4.53973e-06


DD  step 208014999  vol min/aver 0.621  load imb.: force  4.7%  pme mesh/force 0.650
           Step           Time
      208015000   416030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98733e+03    1.96284e+04    1.30672e+04    1.20382e+03   -3.02333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80737e+03    9.33525e+04    4.00269e+05   -2.33877e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65067e+04   -2.44554e+06    4.81354e+05   -1.96419e+06    2.18956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12071e+02   -2.07313e+02    1.35305e+01    4.59690e-06


DD  step 208019999  vol min/aver 0.644  load imb.: force  3.8%  pme mesh/force 0.643
           Step           Time
      208020000   416040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17458e+03    1.91169e+04    1.30894e+04    1.21744e+03   -3.11981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72365e+03    9.30538e+04    4.02314e+05   -2.34084e+04   -2.98040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65210e+04   -2.44872e+06    4.78799e+05   -1.96992e+06    2.18962e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10414e+02   -2.07680e+02    6.74811e+01    4.38195e-06


DD  step 208024999  vol min/aver 0.664  load imb.: force  3.5%  pme mesh/force 0.647
           Step           Time
      208025000   416050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96355e+03    1.94856e+04    1.31071e+04    1.12099e+03   -3.12543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83855e+03    9.20620e+04    4.03208e+05   -2.33884e+04   -2.98047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64381e+04   -2.44876e+06    4.78403e+05   -1.97035e+06    2.18968e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10157e+02   -2.07325e+02    5.52829e+01    4.40395e-06


DD  step 208029999  vol min/aver 0.614  load imb.: force  5.8%  pme mesh/force 0.651
           Step           Time
      208030000   416060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95998e+03    1.94379e+04    1.31022e+04    1.25474e+03   -3.14234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75044e+03    9.34819e+04    4.00505e+05   -2.34052e+04   -2.97875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65278e+04   -2.44828e+06    4.80115e+05   -1.96816e+06    2.18973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11267e+02   -2.07623e+02    4.89905e+00    4.51702e-06


DD  step 208034999  vol min/aver 0.641  load imb.: force  4.2%  pme mesh/force 0.653
           Step           Time
      208035000   416070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08625e+03    1.92661e+04    1.30918e+04    1.28631e+03   -3.07319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79902e+03    9.28739e+04    4.01632e+05   -2.34614e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65003e+04   -2.44855e+06    4.79832e+05   -1.96872e+06    2.18979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11084e+02   -2.08620e+02    2.16769e+00    4.36856e-06


DD  step 208039999  vol min/aver 0.657  load imb.: force  4.3%  pme mesh/force 0.649
           Step           Time
      208040000   416080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02828e+03    1.92315e+04    1.31767e+04    1.10815e+03   -3.15966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67980e+03    9.30114e+04    4.01072e+05   -2.34113e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62236e+04   -2.44771e+06    4.80971e+05   -1.96674e+06    2.18985e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11822e+02   -2.07732e+02    3.36662e+01    4.53283e-06


DD  step 208044999  vol min/aver 0.629  load imb.: force  3.9%  pme mesh/force 0.640
           Step           Time
      208045000   416090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95322e+03    1.93290e+04    1.32035e+04    1.23188e+03   -3.12517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80971e+03    9.29486e+04    4.03620e+05   -2.34020e+04   -2.98174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63679e+04   -2.44881e+06    4.79728e+05   -1.96908e+06    2.18991e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.07566e+02    5.03881e+01    4.57084e-06


DD  step 208049999  vol min/aver 0.641  load imb.: force  5.3%  pme mesh/force 0.653
           Step           Time
      208050000   416100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99765e+03    1.92226e+04    1.32578e+04    1.21470e+03   -3.16852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74576e+03    9.28916e+04    3.97623e+05   -2.33395e+04   -2.97202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66282e+04   -2.44495e+06    4.77938e+05   -1.96701e+06    2.18997e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09855e+02   -2.06461e+02   -1.02314e+02    4.48037e-06


DD  step 208054999  vol min/aver 0.586  load imb.: force  4.1%  pme mesh/force 0.654
           Step           Time
      208055000   416110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74208e+03    1.93313e+04    1.30803e+04    1.17110e+03   -3.10637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83992e+03    9.28071e+04    3.99679e+05   -2.33821e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64429e+04   -2.44950e+06    4.78792e+05   -1.97070e+06    2.19002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10410e+02   -2.07214e+02   -4.98371e+01    4.59105e-06


DD  step 208059999  vol min/aver 0.641  load imb.: force  5.8%  pme mesh/force 0.677
           Step           Time
      208060000   416120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24884e+03    1.94601e+04    1.31135e+04    1.19886e+03   -3.08425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86311e+03    9.31725e+04    3.98905e+05   -2.33351e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64644e+04   -2.44673e+06    4.83309e+05   -1.96342e+06    2.19008e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13338e+02   -2.06382e+02   -8.90052e+01    4.58925e-06


DD  step 208064999  vol min/aver 0.646  load imb.: force  5.3%  pme mesh/force 0.640
           Step           Time
      208065000   416130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97898e+03    1.96162e+04    1.30829e+04    1.26859e+03   -3.15179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75477e+03    9.33603e+04    4.01408e+05   -2.33919e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66806e+04   -2.44773e+06    4.79305e+05   -1.96842e+06    2.19014e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10742e+02   -2.07388e+02    3.79271e+00    4.50342e-06


DD  step 208069999  vol min/aver 0.638  load imb.: force  4.4%  pme mesh/force 0.646
           Step           Time
      208070000   416140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.41672e+03    1.93189e+04    1.32351e+04    1.22939e+03   -3.11051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86249e+03    9.26903e+04    4.01508e+05   -2.34247e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63743e+04   -2.44804e+06    4.82662e+05   -1.96537e+06    2.19019e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12919e+02   -2.07969e+02    5.12930e+01    4.55319e-06


DD  step 208074999  vol min/aver 0.620  load imb.: force  4.3%  pme mesh/force 0.651
           Step           Time
      208075000   416150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99368e+03    1.93356e+04    1.31277e+04    1.16776e+03   -3.08842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01029e+03    9.34976e+04    4.01372e+05   -2.34001e+04   -2.97618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65855e+04   -2.44458e+06    4.81988e+05   -1.96260e+06    2.19026e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12481e+02   -2.07534e+02    9.64165e+01    4.51094e-06


DD  step 208079999  vol min/aver 0.640  load imb.: force  5.1%  pme mesh/force 0.654
           Step           Time
      208080000   416160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04102e+03    1.94394e+04    1.31557e+04    1.21471e+03   -3.18315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83751e+03    9.30887e+04    4.03430e+05   -2.33988e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65388e+04   -2.44570e+06    4.78676e+05   -1.96703e+06    2.19032e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10334e+02   -2.07510e+02    9.37901e+01    4.44172e-06


DD  step 208084999  vol min/aver 0.657  load imb.: force  5.8%  pme mesh/force 0.696
           Step           Time
      208085000   416170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18369e+03    1.94442e+04    1.29599e+04    1.14617e+03   -3.17910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90045e+03    9.26003e+04    3.99356e+05   -2.33828e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65769e+04   -2.44743e+06    4.79828e+05   -1.96760e+06    2.19037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11081e+02   -2.07227e+02   -4.61131e+01    4.44799e-06


DD  step 208089999  vol min/aver 0.642  load imb.: force  4.0%  pme mesh/force 0.652
           Step           Time
      208090000   416180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06965e+03    1.94602e+04    1.29455e+04    1.20937e+03   -3.08639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95551e+03    9.33426e+04    4.02506e+05   -2.33418e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65700e+04   -2.44575e+06    4.79208e+05   -1.96654e+06    2.19043e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10679e+02   -2.06502e+02    8.06804e+01    4.58690e-06


DD  step 208094999  vol min/aver 0.642  load imb.: force  4.2%  pme mesh/force 0.649
           Step           Time
      208095000   416190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05738e+03    1.94588e+04    1.30905e+04    1.17897e+03   -3.08661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78523e+03    9.30757e+04    4.03423e+05   -2.34186e+04   -2.98008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65436e+04   -2.44697e+06    4.77510e+05   -1.96946e+06    2.19049e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09578e+02   -2.07861e+02    9.25441e+01    4.65868e-06


DD  step 208099999  vol min/aver 0.634  load imb.: force  4.7%  pme mesh/force 0.662
           Step           Time
      208100000   416200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05102e+03    1.96470e+04    1.32490e+04    1.11420e+03   -3.14108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85362e+03    9.28993e+04    3.99737e+05   -2.33841e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64605e+04   -2.44593e+06    4.79042e+05   -1.96689e+06    2.19055e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.07249e+02    8.29947e+00    4.51434e-06


DD  step 208104999  vol min/aver 0.669  load imb.: force  6.2%  pme mesh/force 0.663
           Step           Time
      208105000   416210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05603e+03    1.93186e+04    1.31043e+04    1.14601e+03   -3.06153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84269e+03    9.29975e+04    4.00823e+05   -2.34002e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64848e+04   -2.44727e+06    4.80087e+05   -1.96719e+06    2.19060e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11249e+02   -2.07535e+02    3.05107e+01    4.62285e-06


DD  step 208109999  vol min/aver 0.640  load imb.: force  4.9%  pme mesh/force 0.649
           Step           Time
      208110000   416220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77039e+03    1.92869e+04    1.28332e+04    1.20667e+03   -3.12822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87252e+03    9.28918e+04    4.01286e+05   -2.34116e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63490e+04   -2.44692e+06    4.79457e+05   -1.96746e+06    2.19066e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10841e+02   -2.07736e+02    9.71335e+01    4.43327e-06


DD  step 208114999  vol min/aver 0.667  load imb.: force  4.6%  pme mesh/force 0.653
           Step           Time
      208115000   416230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88501e+03    1.97514e+04    1.29928e+04    1.24193e+03   -3.10801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76145e+03    9.35650e+04    3.99841e+05   -2.33750e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66225e+04   -2.44592e+06    4.79700e+05   -1.96622e+06    2.19072e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10998e+02   -2.07089e+02   -2.49276e+01    4.33682e-06


DD  step 208119999  vol min/aver 0.636  load imb.: force  4.5%  pme mesh/force 0.645
           Step           Time
      208120000   416240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95467e+03    1.95355e+04    1.33109e+04    1.18192e+03   -3.09511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86663e+03    9.26742e+04    3.99617e+05   -2.34328e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65998e+04   -2.44510e+06    4.78479e+05   -1.96662e+06    2.19078e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10206e+02   -2.08113e+02    5.91501e+01    4.57858e-06


DD  step 208124999  vol min/aver 0.665  load imb.: force  4.8%  pme mesh/force 0.641
           Step           Time
      208125000   416250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94827e+03    1.95406e+04    1.32745e+04    1.16861e+03   -3.08697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80969e+03    9.27166e+04    4.02842e+05   -2.34116e+04   -2.98052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65500e+04   -2.44817e+06    4.79530e+05   -1.96864e+06    2.19084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10888e+02   -2.07737e+02    8.36575e+01    4.52526e-06


DD  step 208129999  vol min/aver 0.649  load imb.: force  3.6%  pme mesh/force 0.653
           Step           Time
      208130000   416260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86480e+03    1.95891e+04    1.29835e+04    1.15623e+03   -3.05880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79483e+03    9.36673e+04    3.99508e+05   -2.33583e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63957e+04   -2.44696e+06    4.77532e+05   -1.96942e+06    2.19089e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09593e+02   -2.06792e+02   -3.84796e+01    4.55065e-06


DD  step 208134999  vol min/aver 0.667  load imb.: force  4.1%  pme mesh/force 0.653
           Step           Time
      208135000   416270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95923e+03    1.93409e+04    1.30778e+04    1.16053e+03   -3.03599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89577e+03    9.31373e+04    4.01928e+05   -2.33941e+04   -2.97904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63684e+04   -2.44760e+06    4.79453e+05   -1.96815e+06    2.19095e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10838e+02   -2.07427e+02    4.81456e+01    4.56535e-06


DD  step 208139999  vol min/aver 0.652  load imb.: force  7.6%  pme mesh/force 0.695
           Step           Time
      208140000   416280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06149e+03    1.93942e+04    1.31277e+04    1.17344e+03   -3.07729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81997e+03    9.27916e+04    3.99037e+05   -2.33630e+04   -2.97420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65458e+04   -2.44569e+06    4.80062e+05   -1.96563e+06    2.19100e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11233e+02   -2.06876e+02   -3.40716e+01    4.64520e-06


DD  step 208144999  vol min/aver 0.672  load imb.: force  4.7%  pme mesh/force 0.650
           Step           Time
      208145000   416290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04275e+03    1.93580e+04    1.31961e+04    1.21834e+03   -3.15314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91417e+03    9.30536e+04    4.00856e+05   -2.33710e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63634e+04   -2.44925e+06    4.80003e+05   -1.96925e+06    2.19106e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11195e+02   -2.07018e+02   -2.11720e+01    4.64761e-06


DD  step 208149999  vol min/aver 0.661  load imb.: force  4.3%  pme mesh/force 0.650
           Step           Time
      208150000   416300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04461e+03    1.95497e+04    1.29506e+04    1.20533e+03   -3.10650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83747e+03    9.27899e+04    4.00156e+05   -2.33758e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64684e+04   -2.44571e+06    4.78961e+05   -1.96675e+06    2.19112e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.07102e+02   -2.98818e+01    4.36173e-06


DD  step 208154999  vol min/aver 0.660  load imb.: force  5.8%  pme mesh/force 0.657
           Step           Time
      208155000   416310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88781e+03    1.94198e+04    1.29215e+04    1.18300e+03   -3.05373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74928e+03    9.33152e+04    3.98571e+05   -2.34081e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64156e+04   -2.45012e+06    4.77251e+05   -1.97287e+06    2.19118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09410e+02   -2.07675e+02   -7.06789e+01    4.53833e-06


DD  step 208159999  vol min/aver 0.659  load imb.: force  4.6%  pme mesh/force 0.649
           Step           Time
      208160000   416320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96602e+03    1.97295e+04    1.31663e+04    1.13901e+03   -2.91353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81118e+03    9.31732e+04    4.00469e+05   -2.33840e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65987e+04   -2.44423e+06    4.80686e+05   -1.96354e+06    2.19124e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11637e+02   -2.07247e+02    2.15315e+01    4.49671e-06


DD  step 208164999  vol min/aver 0.622  load imb.: force  4.7%  pme mesh/force 0.657
           Step           Time
      208165000   416330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91962e+03    1.91638e+04    1.31344e+04    1.18328e+03   -2.95462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76856e+03    9.34777e+04    4.01213e+05   -2.33732e+04   -2.98173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65474e+04   -2.45065e+06    4.80156e+05   -1.97049e+06    2.19129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11294e+02   -2.07057e+02   -5.94138e+01    4.40223e-06


DD  step 208169999  vol min/aver 0.651  load imb.: force  4.6%  pme mesh/force 0.632
           Step           Time
      208170000   416340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09337e+03    1.96408e+04    1.32172e+04    1.25209e+03   -3.01647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75960e+03    9.31793e+04    3.98978e+05   -2.33747e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64384e+04   -2.44583e+06    4.79364e+05   -1.96646e+06    2.19136e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.07083e+02   -1.89283e+01    4.52807e-06


DD  step 208174999  vol min/aver 0.659  load imb.: force  4.2%  pme mesh/force 0.658
           Step           Time
      208175000   416350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09171e+03    1.96117e+04    1.31412e+04    1.24731e+03   -3.12554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85327e+03    9.28474e+04    4.01104e+05   -2.34182e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63600e+04   -2.44543e+06    4.81262e+05   -1.96417e+06    2.19141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12011e+02   -2.07854e+02    6.65052e+01    4.37051e-06


DD  step 208179999  vol min/aver 0.642  load imb.: force  4.2%  pme mesh/force 0.646
           Step           Time
      208180000   416360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99082e+03    1.93219e+04    1.31025e+04    1.17034e+03   -3.04628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89987e+03    9.28209e+04    4.00091e+05   -2.33564e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64520e+04   -2.44649e+06    4.80442e+05   -1.96605e+06    2.19147e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11479e+02   -2.06760e+02   -6.57227e-01    4.40939e-06


DD  step 208184999  vol min/aver 0.667  load imb.: force  3.6%  pme mesh/force 0.663
           Step           Time
      208185000   416370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02533e+03    1.95191e+04    1.30330e+04    1.19172e+03   -3.06913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91924e+03    9.31066e+04    3.99922e+05   -2.33780e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64101e+04   -2.44858e+06    4.78240e+05   -1.97034e+06    2.19153e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10051e+02   -2.07142e+02   -2.40793e+01    4.55732e-06


DD  step 208189999  vol min/aver 0.668  load imb.: force  5.0%  pme mesh/force 0.661
           Step           Time
      208190000   416380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01666e+03    1.95626e+04    1.33005e+04    1.18656e+03   -3.04408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87956e+03    9.26940e+04    4.00055e+05   -2.33427e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64047e+04   -2.44486e+06    4.77717e+05   -1.96714e+06    2.19159e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09713e+02   -2.06516e+02   -3.53883e+00    4.57983e-06


step 208194200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 27 min 885 max 1051

DD  step 208194999 load imb.: force 19.4%  pme mesh/force 0.803
           Step           Time
      208195000   416390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10846e+03    1.95221e+04    1.30623e+04    1.12167e+03   -3.03328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81173e+03    9.29789e+04    3.96943e+05   -2.33678e+04   -2.97098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65242e+04   -2.44431e+06    4.79535e+05   -1.96477e+06    2.19165e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10891e+02   -2.06960e+02   -8.84069e+01    4.55473e-06


DD  step 208199999 load imb.: force 19.4%  pme mesh/force 0.780
           Step           Time
      208200000   416400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83072e+03    1.95067e+04    1.30374e+04    1.19644e+03   -3.03382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85345e+03    9.32951e+04    4.00107e+05   -2.33661e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63580e+04   -2.44752e+06    4.81208e+05   -1.96631e+06    2.19170e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11976e+02   -2.06931e+02    2.15388e+00    4.50381e-06


step 208200200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.1 %.

DD  step 208204999  vol min/aver 0.651  load imb.: force  4.4%  pme mesh/force 0.648
           Step           Time
      208205000   416410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30818e+03    1.92766e+04    1.30811e+04    1.14217e+03   -3.04828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01370e+03    9.25004e+04    4.02126e+05   -2.33790e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64308e+04   -2.44563e+06    4.80336e+05   -1.96530e+06    2.19176e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.07159e+02    4.87230e+01    4.56290e-06


DD  step 208209999  vol min/aver 0.617  load imb.: force  6.4%  pme mesh/force 0.658
           Step           Time
      208210000   416420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99930e+03    1.96017e+04    1.31223e+04    1.19528e+03   -3.04345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75527e+03    9.25051e+04    4.03445e+05   -2.34231e+04   -2.98319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64891e+04   -2.45054e+06    4.81505e+05   -1.96904e+06    2.19182e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12169e+02   -2.07941e+02    5.86133e+01    4.46511e-06


DD  step 208214999  vol min/aver 0.598  load imb.: force  6.1%  pme mesh/force 0.651
           Step           Time
      208215000   416430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88431e+03    1.94505e+04    1.29996e+04    1.19138e+03   -3.04916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98683e+03    9.27380e+04    3.99086e+05   -2.33806e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64159e+04   -2.44702e+06    4.79984e+05   -1.96704e+06    2.19188e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.07187e+02   -4.98901e+00    4.52597e-06


DD  step 208219999  vol min/aver 0.606  load imb.: force  4.8%  pme mesh/force 0.661
           Step           Time
      208220000   416440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31953e+03    1.94860e+04    1.30192e+04    1.17859e+03   -3.10150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69968e+03    9.31116e+04    4.00383e+05   -2.33505e+04   -2.97507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63449e+04   -2.44498e+06    4.81947e+05   -1.96303e+06    2.19194e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12455e+02   -2.06655e+02    7.60052e+00    4.55705e-06


DD  step 208224999  vol min/aver 0.616  load imb.: force  4.3%  pme mesh/force 0.644
           Step           Time
      208225000   416450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00731e+03    1.94571e+04    1.30309e+04    1.10480e+03   -2.93249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85354e+03    9.28958e+04    4.02205e+05   -2.33894e+04   -2.97923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64946e+04   -2.44750e+06    4.78173e+05   -1.96933e+06    2.19200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10008e+02   -2.07343e+02    2.45554e+01    4.39819e-06


DD  step 208229999  vol min/aver 0.604  load imb.: force  5.3%  pme mesh/force 0.640
           Step           Time
      208230000   416460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95052e+03    1.94867e+04    1.29326e+04    1.20590e+03   -3.04430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91695e+03    9.29461e+04    3.99298e+05   -2.33711e+04   -2.97386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66236e+04   -2.44491e+06    4.80605e+05   -1.96431e+06    2.19205e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11585e+02   -2.07020e+02    3.43027e+00    4.42584e-06

Writing checkpoint, step 208231600 at Tue Nov  7 11:16:28 2023



DD  step 208234999  vol min/aver 0.618  load imb.: force  4.4%  pme mesh/force 0.663
           Step           Time
      208235000   416470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89845e+03    1.93782e+04    1.30852e+04    1.12124e+03   -3.06979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86576e+03    9.29719e+04    4.02419e+05   -2.33759e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64389e+04   -2.44711e+06    4.79130e+05   -1.96798e+06    2.19212e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10628e+02   -2.07104e+02    7.01526e+01    4.48770e-06


DD  step 208239999  vol min/aver 0.608  load imb.: force  4.8%  pme mesh/force 0.654
           Step           Time
      208240000   416480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88987e+03    1.96238e+04    1.30196e+04    1.12822e+03   -3.19514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77433e+03    9.28803e+04    4.00269e+05   -2.33324e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66459e+04   -2.44673e+06    4.79508e+05   -1.96722e+06    2.19217e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10874e+02   -2.06336e+02   -4.95039e+00    4.50754e-06


DD  step 208244999  vol min/aver 0.648  load imb.: force  5.5%  pme mesh/force 0.652
           Step           Time
      208245000   416490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88131e+03    1.92537e+04    1.32315e+04    1.18059e+03   -2.95930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89635e+03    9.29508e+04    4.00924e+05   -2.34163e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63528e+04   -2.44840e+06    4.80786e+05   -1.96762e+06    2.19223e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11702e+02   -2.07821e+02    2.81547e+01    4.56604e-06


DD  step 208249999  vol min/aver 0.641  load imb.: force  5.5%  pme mesh/force 0.649
           Step           Time
      208250000   416500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01913e+03    1.93745e+04    1.31152e+04    1.13090e+03   -3.08036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82515e+03    9.27222e+04    4.00904e+05   -2.33687e+04   -2.97922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62867e+04   -2.44929e+06    4.79204e+05   -1.97009e+06    2.19229e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10677e+02   -2.06977e+02   -4.67017e+01    4.45433e-06


DD  step 208254999  vol min/aver 0.630  load imb.: force  4.9%  pme mesh/force 0.655
           Step           Time
      208255000   416510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94830e+03    1.91993e+04    1.30223e+04    1.26267e+03   -3.06169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84239e+03    9.32608e+04    3.99152e+05   -2.33583e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66664e+04   -2.44538e+06    4.78281e+05   -1.96710e+06    2.19235e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10078e+02   -2.06793e+02   -2.20056e+00    4.60153e-06


DD  step 208259999  vol min/aver 0.612  load imb.: force  6.9%  pme mesh/force 0.673
           Step           Time
      208260000   416520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75831e+03    1.92154e+04    1.29830e+04    1.16742e+03   -2.91843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93557e+03    9.31982e+04    3.98368e+05   -2.33656e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63918e+04   -2.44713e+06    4.79495e+05   -1.96763e+06    2.19240e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.06922e+02   -6.56088e+01    4.67954e-06


DD  step 208264999  vol min/aver 0.608  load imb.: force  4.9%  pme mesh/force 0.660
           Step           Time
      208265000   416530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99487e+03    1.89468e+04    1.31371e+04    1.13314e+03   -2.94494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77505e+03    9.35596e+04    3.99381e+05   -2.33676e+04   -2.97607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64395e+04   -2.44702e+06    4.80548e+05   -1.96647e+06    2.19246e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11548e+02   -2.06957e+02   -2.74444e+01    4.58106e-06


DD  step 208269999  vol min/aver 0.566  load imb.: force  5.0%  pme mesh/force 0.664
           Step           Time
      208270000   416540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86953e+03    1.93546e+04    1.29508e+04    1.15843e+03   -2.98437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87781e+03    9.27681e+04    4.02970e+05   -2.34204e+04   -2.97988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66429e+04   -2.44769e+06    4.79358e+05   -1.96833e+06    2.19252e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10776e+02   -2.07893e+02    1.02328e+02    4.51756e-06


DD  step 208274999  vol min/aver 0.620  load imb.: force  5.3%  pme mesh/force 0.658
           Step           Time
      208275000   416550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06679e+03    1.94892e+04    1.28919e+04    1.05813e+03   -2.99690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79501e+03    9.29771e+04    4.00291e+05   -2.33775e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65394e+04   -2.44863e+06    4.80636e+05   -1.96800e+06    2.19258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11605e+02   -2.07132e+02   -3.13358e+01    4.59259e-06


DD  step 208279999  vol min/aver 0.626  load imb.: force  4.8%  pme mesh/force 0.660
           Step           Time
      208280000   416560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83723e+03    1.97530e+04    1.29478e+04    1.20821e+03   -2.99315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67941e+03    9.26588e+04    3.99964e+05   -2.34089e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62810e+04   -2.44724e+06    4.79941e+05   -1.96730e+06    2.19264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.07689e+02   -3.82875e+01    4.54280e-06


DD  step 208284999  vol min/aver 0.635  load imb.: force  4.3%  pme mesh/force 0.657
           Step           Time
      208285000   416570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77941e+03    1.94850e+04    1.30039e+04    1.18146e+03   -3.04815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85475e+03    9.30718e+04    4.03074e+05   -2.34178e+04   -2.98136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64984e+04   -2.44888e+06    4.79357e+05   -1.96952e+06    2.19270e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.07847e+02    7.92160e+01    4.49390e-06


DD  step 208289999  vol min/aver 0.585  load imb.: force  5.3%  pme mesh/force 0.648
           Step           Time
      208290000   416580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03749e+03    1.95051e+04    1.30605e+04    1.20818e+03   -3.08043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84427e+03    9.32614e+04    3.98439e+05   -2.33513e+04   -2.97151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68096e+04   -2.44278e+06    4.78794e+05   -1.96398e+06    2.19276e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10411e+02   -2.06669e+02   -1.87855e+01    4.52804e-06


DD  step 208294999  vol min/aver 0.640  load imb.: force  4.0%  pme mesh/force 0.650
           Step           Time
      208295000   416590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96255e+03    1.93971e+04    1.29921e+04    1.23567e+03   -3.08696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79009e+03    9.21895e+04    4.03802e+05   -2.33730e+04   -2.97997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64845e+04   -2.44757e+06    4.77624e+05   -1.96995e+06    2.19281e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09652e+02   -2.07054e+02    9.54951e+01    4.78689e-06


DD  step 208299999  vol min/aver 0.628  load imb.: force  4.3%  pme mesh/force 0.649
           Step           Time
      208300000   416600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92279e+03    1.93625e+04    1.30162e+04    1.27441e+03   -3.02329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89423e+03    9.26239e+04    4.02340e+05   -2.33941e+04   -2.98147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64881e+04   -2.44996e+06    4.78632e+05   -1.97133e+06    2.19287e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10306e+02   -2.07426e+02    5.83142e+01    4.59272e-06


DD  step 208304999  vol min/aver 0.647  load imb.: force  4.6%  pme mesh/force 0.654
           Step           Time
      208305000   416610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84015e+03    1.95749e+04    1.31007e+04    1.18054e+03   -3.08986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02508e+03    9.30711e+04    4.00742e+05   -2.33952e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64512e+04   -2.44624e+06    4.80103e+05   -1.96614e+06    2.19293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11259e+02   -2.07446e+02    6.74133e+01    4.74161e-06


DD  step 208309999  vol min/aver 0.624  load imb.: force  3.9%  pme mesh/force 0.647
           Step           Time
      208310000   416620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09424e+03    1.93898e+04    1.30392e+04    1.24377e+03   -3.03434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82011e+03    9.24804e+04    4.00076e+05   -2.34197e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65752e+04   -2.44718e+06    4.79137e+05   -1.96804e+06    2.19299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10633e+02   -2.07881e+02    1.69215e+01    4.68032e-06


DD  step 208314999  vol min/aver 0.595  load imb.: force  4.7%  pme mesh/force 0.649
           Step           Time
      208315000   416630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00221e+03    1.93275e+04    1.31879e+04    1.24488e+03   -3.01064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92694e+03    9.24574e+04    4.01281e+05   -2.33537e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66400e+04   -2.44658e+06    4.78334e+05   -1.96824e+06    2.19305e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10112e+02   -2.06711e+02    1.19471e+01    4.53684e-06


DD  step 208319999  vol min/aver 0.588  load imb.: force  5.5%  pme mesh/force 0.665
           Step           Time
      208320000   416640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16152e+03    1.95060e+04    1.33819e+04    1.24473e+03   -3.09203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83102e+03    9.25643e+04    4.00372e+05   -2.33528e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64756e+04   -2.44580e+06    4.80097e+05   -1.96570e+06    2.19310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11256e+02   -2.06696e+02   -1.16647e+01    4.56042e-06


DD  step 208324999  vol min/aver 0.612  load imb.: force  4.5%  pme mesh/force 0.640
           Step           Time
      208325000   416650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87688e+03    1.90199e+04    1.28907e+04    1.16687e+03   -3.06737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93681e+03    9.23726e+04    3.99691e+05   -2.33588e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66056e+04   -2.45051e+06    4.76872e+05   -1.97364e+06    2.19316e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09164e+02   -2.06801e+02   -4.26969e+01    4.54681e-06


DD  step 208329999  vol min/aver 0.573  load imb.: force  4.3%  pme mesh/force 0.643
           Step           Time
      208330000   416660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35530e+03    1.95368e+04    1.29971e+04    1.11355e+03   -3.01034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71128e+03    9.24284e+04    4.00242e+05   -2.33837e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64403e+04   -2.44528e+06    4.80607e+05   -1.96468e+06    2.19322e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.07242e+02   -2.62307e+01    4.58233e-06


DD  step 208334999  vol min/aver 0.645  load imb.: force  4.2%  pme mesh/force 0.644
           Step           Time
      208335000   416670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10111e+03    1.97204e+04    1.31826e+04    1.23210e+03   -3.09429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75507e+03    9.25620e+04    4.01158e+05   -2.33712e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63604e+04   -2.44578e+06    4.80463e+05   -1.96532e+06    2.19328e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11493e+02   -2.07022e+02    6.04170e+00    4.93357e-06


DD  step 208339999  vol min/aver 0.612  load imb.: force  5.7%  pme mesh/force 0.671
           Step           Time
      208340000   416680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16338e+03    1.90034e+04    1.30955e+04    1.19656e+03   -3.09736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88200e+03    9.32365e+04    3.99549e+05   -2.33834e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64216e+04   -2.44913e+06    4.81682e+05   -1.96745e+06    2.19334e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12283e+02   -2.07237e+02   -3.45845e+01    4.70380e-06


DD  step 208344999  vol min/aver 0.589  load imb.: force  3.9%  pme mesh/force 0.653
           Step           Time
      208345000   416690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11758e+03    1.94153e+04    1.30567e+04    1.25613e+03   -3.10522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73059e+03    9.29872e+04    4.02004e+05   -2.34482e+04   -2.97959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64621e+04   -2.44812e+06    4.77428e+05   -1.97069e+06    2.19340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09525e+02   -2.08386e+02    6.56494e+01    4.72761e-06


DD  step 208349999  vol min/aver 0.600  load imb.: force  4.3%  pme mesh/force 0.656
           Step           Time
      208350000   416700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18943e+03    1.96351e+04    1.30078e+04    1.17625e+03   -3.02647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75916e+03    9.25210e+04    3.97943e+05   -2.34209e+04   -2.97447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63719e+04   -2.44731e+06    4.79508e+05   -1.96780e+06    2.19346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10873e+02   -2.07901e+02   -4.65322e+01    4.56107e-06


DD  step 208354999  vol min/aver 0.646  load imb.: force  4.3%  pme mesh/force 0.651
           Step           Time
      208355000   416710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93582e+03    1.93295e+04    1.30809e+04    1.24303e+03   -3.12554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83300e+03    9.27948e+04    4.01732e+05   -2.33637e+04   -2.97939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63584e+04   -2.44857e+06    4.80204e+05   -1.96837e+06    2.19352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.06888e+02    3.98097e+01    4.35928e-06


DD  step 208359999  vol min/aver 0.605  load imb.: force  4.1%  pme mesh/force 0.652
           Step           Time
      208360000   416720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09913e+03    1.97129e+04    1.32356e+04    1.14835e+03   -3.15362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87801e+03    9.27020e+04    3.99290e+05   -2.33303e+04   -2.97531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65020e+04   -2.44623e+06    4.80107e+05   -1.96612e+06    2.19358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11262e+02   -2.06298e+02   -2.97167e+01    4.64525e-06


DD  step 208364999  vol min/aver 0.624  load imb.: force  4.0%  pme mesh/force 0.643
           Step           Time
      208365000   416730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09016e+03    1.96958e+04    1.31451e+04    1.17381e+03   -3.06690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90057e+03    9.26679e+04    4.00764e+05   -2.33860e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66588e+04   -2.44675e+06    4.80177e+05   -1.96657e+06    2.19364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11308e+02   -2.07284e+02    3.98904e+00    4.65367e-06


DD  step 208369999  vol min/aver 0.583  load imb.: force  3.8%  pme mesh/force 0.656
           Step           Time
      208370000   416740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12323e+03    1.93981e+04    1.31961e+04    1.21363e+03   -3.05061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91739e+03    9.29119e+04    4.03393e+05   -2.34275e+04   -2.98120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67236e+04   -2.44780e+06    4.78863e+05   -1.96894e+06    2.19370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10455e+02   -2.08018e+02    7.41966e+01    4.61839e-06


DD  step 208374999  vol min/aver 0.624  load imb.: force  4.8%  pme mesh/force 0.652
           Step           Time
      208375000   416750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16708e+03    1.92933e+04    1.30025e+04    1.20263e+03   -3.10671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77033e+03    9.26575e+04    3.99630e+05   -2.33720e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65102e+04   -2.44543e+06    4.78699e+05   -1.96673e+06    2.19375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10349e+02   -2.07034e+02   -4.30832e+01    4.66403e-06


DD  step 208379999  vol min/aver 0.628  load imb.: force  3.7%  pme mesh/force 0.650
           Step           Time
      208380000   416760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97678e+03    1.94237e+04    1.30192e+04    1.16501e+03   -3.07953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90728e+03    9.28294e+04    4.00150e+05   -2.34260e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64470e+04   -2.44645e+06    4.79557e+05   -1.96689e+06    2.19381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10905e+02   -2.07993e+02    3.80280e+01    4.68061e-06


DD  step 208384999  vol min/aver 0.623  load imb.: force  4.4%  pme mesh/force 0.647
           Step           Time
      208385000   416770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.61406e+03    1.92412e+04    1.29565e+04    1.20616e+03   -3.05630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00500e+03    9.31778e+04    4.00681e+05   -2.34162e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66075e+04   -2.44943e+06    4.80198e+05   -1.96923e+06    2.19387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11321e+02   -2.07817e+02    4.50064e+01    4.74425e-06


DD  step 208389999  vol min/aver 0.608  load imb.: force  7.9%  pme mesh/force 0.695
           Step           Time
      208390000   416780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01249e+03    1.93839e+04    1.29953e+04    1.15814e+03   -2.99040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76716e+03    9.24439e+04    3.99734e+05   -2.34147e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64321e+04   -2.44819e+06    4.80199e+05   -1.96799e+06    2.19392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.07791e+02   -3.95857e+00    4.69681e-06


DD  step 208394999  vol min/aver 0.634  load imb.: force  4.8%  pme mesh/force 0.646
           Step           Time
      208395000   416790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26540e+03    1.98617e+04    1.29054e+04    1.22157e+03   -3.01056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77209e+03    9.26139e+04    4.02884e+05   -2.34338e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64180e+04   -2.44674e+06    4.80554e+05   -1.96619e+06    2.19399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11552e+02   -2.08130e+02    4.71290e+01    4.73605e-06


DD  step 208399999  vol min/aver 0.618  load imb.: force  4.5%  pme mesh/force 0.650
           Step           Time
      208400000   416800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92006e+03    1.95253e+04    1.31385e+04    1.13654e+03   -3.12593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91087e+03    9.25732e+04    3.99321e+05   -2.33892e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66094e+04   -2.44936e+06    4.81088e+05   -1.96828e+06    2.19404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11898e+02   -2.07339e+02   -9.95396e+00    4.80432e-06


DD  step 208404999  vol min/aver 0.558  load imb.: force  4.7%  pme mesh/force 0.653
           Step           Time
      208405000   416810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73313e+03    1.90457e+04    1.29128e+04    1.05844e+03   -2.96788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89597e+03    9.26561e+04    3.96435e+05   -2.33710e+04   -2.97217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63606e+04   -2.44741e+06    4.76713e+05   -1.97070e+06    2.19410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09061e+02   -2.07018e+02   -1.01582e+02    4.62264e-06


DD  step 208409999  vol min/aver 0.600  load imb.: force  4.4%  pme mesh/force 0.653
           Step           Time
      208410000   416820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05082e+03    1.92562e+04    1.31873e+04    1.24611e+03   -2.99096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84415e+03    9.27805e+04    4.01242e+05   -2.33818e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63254e+04   -2.44671e+06    4.80506e+05   -1.96620e+06    2.19416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11521e+02   -2.07209e+02    5.31312e+01    4.65512e-06


DD  step 208414999  vol min/aver 0.580  load imb.: force  4.1%  pme mesh/force 0.648
           Step           Time
      208415000   416830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77878e+03    1.93972e+04    1.31100e+04    1.24763e+03   -3.09070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94616e+03    9.26648e+04    3.99212e+05   -2.33896e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64701e+04   -2.44678e+06    4.78181e+05   -1.96860e+06    2.19422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10013e+02   -2.07347e+02   -3.37750e+01    4.69986e-06


DD  step 208419999  vol min/aver 0.601  load imb.: force  5.1%  pme mesh/force 0.656
           Step           Time
      208420000   416840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15071e+03    1.91471e+04    1.32320e+04    1.20268e+03   -3.08062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72641e+03    9.27418e+04    4.02515e+05   -2.33801e+04   -2.98153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64164e+04   -2.44986e+06    4.78908e+05   -1.97095e+06    2.19427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10485e+02   -2.07179e+02    5.30178e+01    4.72854e-06


DD  step 208424999  vol min/aver 0.637  load imb.: force  4.3%  pme mesh/force 0.651
           Step           Time
      208425000   416850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17496e+03    1.96171e+04    1.29167e+04    1.18672e+03   -3.04780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79316e+03    9.25792e+04    4.02966e+05   -2.33637e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65552e+04   -2.44520e+06    4.81926e+05   -1.96327e+06    2.19433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12441e+02   -2.06889e+02    7.55294e+01    4.64060e-06


DD  step 208429999  vol min/aver 0.636  load imb.: force  3.4%  pme mesh/force 0.659
           Step           Time
      208430000   416860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90328e+03    1.98068e+04    1.31083e+04    1.22220e+03   -3.10701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81761e+03    9.28484e+04    4.00199e+05   -2.33534e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68569e+04   -2.44450e+06    4.81518e+05   -1.96298e+06    2.19439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12177e+02   -2.06707e+02   -9.57741e+00    4.66498e-06


DD  step 208434999  vol min/aver 0.617  load imb.: force  5.3%  pme mesh/force 0.666
           Step           Time
      208435000   416870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20761e+03    1.93962e+04    1.30084e+04    1.14570e+03   -3.00894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85528e+03    9.28459e+04    4.01449e+05   -2.33675e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63792e+04   -2.44864e+06    4.79033e+05   -1.96961e+06    2.19445e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10566e+02   -2.06956e+02   -3.79511e+01    4.58510e-06


DD  step 208439999  vol min/aver 0.607  load imb.: force  4.0%  pme mesh/force 0.654
           Step           Time
      208440000   416880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15482e+03    1.93152e+04    1.28938e+04    1.15225e+03   -3.00077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92526e+03    9.30063e+04    3.99941e+05   -2.33863e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66745e+04   -2.44780e+06    4.78936e+05   -1.96886e+06    2.19451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10503e+02   -2.07289e+02   -1.46010e+01    4.82173e-06


DD  step 208444999  vol min/aver 0.623  load imb.: force  4.0%  pme mesh/force 0.651
           Step           Time
      208445000   416890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03722e+03    1.92955e+04    1.30048e+04    1.14009e+03   -3.04068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73589e+03    9.22642e+04    4.01647e+05   -2.33721e+04   -2.97892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64390e+04   -2.44877e+06    4.81645e+05   -1.96712e+06    2.19456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12259e+02   -2.07037e+02   -3.45070e+01    4.71089e-06


DD  step 208449999  vol min/aver 0.620  load imb.: force  5.3%  pme mesh/force 0.653
           Step           Time
      208450000   416900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00242e+03    1.94995e+04    1.31605e+04    1.24459e+03   -3.06158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77019e+03    9.25585e+04    3.99658e+05   -2.33818e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65850e+04   -2.44652e+06    4.80886e+05   -1.96563e+06    2.19462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.07209e+02   -5.01425e+01    4.81926e-06


DD  step 208454999  vol min/aver 0.614  load imb.: force  4.1%  pme mesh/force 0.645
           Step           Time
      208455000   416910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11421e+03    1.94810e+04    1.29399e+04    1.16613e+03   -3.05969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96463e+03    9.28477e+04    4.00851e+05   -2.33742e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64007e+04   -2.44618e+06    4.80801e+05   -1.96537e+06    2.19469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11712e+02   -2.07074e+02    8.09716e+01    4.71335e-06


DD  step 208459999  vol min/aver 0.611  load imb.: force  4.9%  pme mesh/force 0.641
           Step           Time
      208460000   416920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04387e+03    1.96491e+04    1.31854e+04    1.15399e+03   -3.01183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87749e+03    9.29780e+04    4.01067e+05   -2.33923e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64623e+04   -2.44522e+06    4.80193e+05   -1.96503e+06    2.19474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11318e+02   -2.07394e+02    4.81731e+01    4.75389e-06


DD  step 208464999  vol min/aver 0.609  load imb.: force  3.7%  pme mesh/force 0.640
           Step           Time
      208465000   416930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16872e+03    1.93692e+04    1.30431e+04    1.20413e+03   -3.04934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82743e+03    9.29666e+04    4.02045e+05   -2.33629e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65154e+04   -2.44653e+06    4.81030e+05   -1.96550e+06    2.19480e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11860e+02   -2.06874e+02    5.31968e+01    4.75602e-06


DD  step 208469999  vol min/aver 0.622  load imb.: force  4.4%  pme mesh/force 0.656
           Step           Time
      208470000   416940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98765e+03    1.92106e+04    1.31022e+04    1.20006e+03   -3.01325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77807e+03    9.33057e+04    4.00374e+05   -2.34000e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63537e+04   -2.44959e+06    4.79570e+05   -1.97002e+06    2.19486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10914e+02   -2.07532e+02   -3.71666e+01    4.72292e-06


DD  step 208474999  vol min/aver 0.637  load imb.: force  4.9%  pme mesh/force 0.646
           Step           Time
      208475000   416950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70373e+03    1.90830e+04    1.30039e+04    1.17593e+03   -3.12306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89782e+03    9.28088e+04    4.00806e+05   -2.34321e+04   -2.98217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65911e+04   -2.45266e+06    4.81029e+05   -1.97163e+06    2.19491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11860e+02   -2.08100e+02   -6.44560e+00    4.86062e-06


DD  step 208479999  vol min/aver 0.623  load imb.: force  4.4%  pme mesh/force 0.642
           Step           Time
      208480000   416960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08807e+03    1.99396e+04    1.30359e+04    1.14620e+03   -3.07201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97349e+03    9.25912e+04    4.02420e+05   -2.33910e+04   -2.97456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66061e+04   -2.44223e+06    4.80737e+05   -1.96149e+06    2.19498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11671e+02   -2.07371e+02    1.41273e+02    4.90585e-06


DD  step 208484999  vol min/aver 0.626  load imb.: force  4.9%  pme mesh/force 0.642
           Step           Time
      208485000   416970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07950e+03    1.90671e+04    1.29308e+04    1.18179e+03   -3.01788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85462e+03    9.28457e+04    4.02375e+05   -2.34125e+04   -2.98016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64745e+04   -2.44878e+06    4.79906e+05   -1.96888e+06    2.19503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.07753e+02    4.94083e+01    4.83830e-06


DD  step 208489999  vol min/aver 0.610  load imb.: force  5.6%  pme mesh/force 0.671
           Step           Time
      208490000   416980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06853e+03    1.93394e+04    1.29963e+04    1.20490e+03   -3.11595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87845e+03    9.22899e+04    4.01273e+05   -2.33689e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65532e+04   -2.44596e+06    4.79294e+05   -1.96666e+06    2.19509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.06980e+02    3.35527e+01    4.95771e-06


DD  step 208494999  vol min/aver 0.612  load imb.: force  5.0%  pme mesh/force 0.656
           Step           Time
      208495000   416990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95637e+03    1.95578e+04    1.30282e+04    1.12052e+03   -3.03735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95673e+03    9.25194e+04    4.01265e+05   -2.33580e+04   -2.97794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65459e+04   -2.44738e+06    4.81436e+05   -1.96595e+06    2.19515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12124e+02   -2.06787e+02    1.19358e+01    4.76993e-06


DD  step 208499999  vol min/aver 0.620  load imb.: force  5.1%  pme mesh/force 0.649
           Step           Time
      208500000   417000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09084e+03    1.98332e+04    1.30988e+04    1.19653e+03   -3.09169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75691e+03    9.25908e+04    3.97020e+05   -2.33779e+04   -2.97054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65414e+04   -2.44388e+06    4.80293e+05   -1.96359e+06    2.19521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.07139e+02   -2.95661e+01    4.82171e-06


DD  step 208504999  vol min/aver 0.610  load imb.: force  4.2%  pme mesh/force 0.649
           Step           Time
      208505000   417010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93455e+03    1.95439e+04    1.32051e+04    1.17203e+03   -2.95090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94470e+03    9.26928e+04    4.02476e+05   -2.33662e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65646e+04   -2.44542e+06    4.80570e+05   -1.96485e+06    2.19527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11562e+02   -2.06932e+02    7.21783e+01    4.82942e-06


DD  step 208509999  vol min/aver 0.618  load imb.: force  5.2%  pme mesh/force 0.646
           Step           Time
      208510000   417020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17038e+03    1.91061e+04    1.30637e+04    1.15304e+03   -3.03608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71416e+03    9.25125e+04    4.00063e+05   -2.33438e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64161e+04   -2.44708e+06    4.77097e+05   -1.96998e+06    2.19533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09311e+02   -2.06537e+02   -7.27139e+01    4.84106e-06


DD  step 208514999  vol min/aver 0.658  load imb.: force  5.8%  pme mesh/force 0.656
           Step           Time
      208515000   417030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11806e+03    1.94375e+04    1.30580e+04    1.13909e+03   -3.00531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88973e+03    9.28236e+04    4.00583e+05   -2.34135e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63372e+04   -2.44776e+06    4.79087e+05   -1.96867e+06    2.19539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10601e+02   -2.07770e+02    2.44545e+00    4.80758e-06


DD  step 208519999  vol min/aver 0.611  load imb.: force  4.3%  pme mesh/force 0.660
           Step           Time
      208520000   417040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04530e+03    1.94647e+04    1.31374e+04    1.22617e+03   -3.21217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78348e+03    9.28277e+04    4.00461e+05   -2.33694e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63622e+04   -2.44930e+06    4.81653e+05   -1.96764e+06    2.19544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12264e+02   -2.06989e+02   -1.59493e+01    4.79688e-06


DD  step 208524999  vol min/aver 0.609  load imb.: force  4.3%  pme mesh/force 0.658
           Step           Time
      208525000   417050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15001e+03    1.93202e+04    1.29410e+04    1.01536e+03   -3.01286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86436e+03    9.19824e+04    3.98780e+05   -2.33678e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63938e+04   -2.44653e+06    4.78707e+05   -1.96782e+06    2.19550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10355e+02   -2.06960e+02   -4.18619e+01    4.91943e-06


DD  step 208529999  vol min/aver 0.617  load imb.: force  3.8%  pme mesh/force 0.654
           Step           Time
      208530000   417060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20059e+03    1.97678e+04    1.29501e+04    1.13319e+03   -2.94398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86114e+03    9.20073e+04    4.01663e+05   -2.33891e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66212e+04   -2.44731e+06    4.77786e+05   -1.96952e+06    2.19557e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09757e+02   -2.07338e+02    3.30712e+01    4.80303e-06


DD  step 208534999  vol min/aver 0.595  load imb.: force  6.0%  pme mesh/force 0.645
           Step           Time
      208535000   417070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13177e+03    1.93739e+04    1.30899e+04    1.13277e+03   -3.03222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86243e+03    9.27834e+04    3.98710e+05   -2.33737e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63778e+04   -2.44711e+06    4.80819e+05   -1.96629e+06    2.19562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11724e+02   -2.07065e+02   -4.15185e+01    4.94719e-06


DD  step 208539999  vol min/aver 0.613  load imb.: force  4.8%  pme mesh/force 0.652
           Step           Time
      208540000   417080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22522e+03    1.93923e+04    1.30963e+04    1.20162e+03   -3.07416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81345e+03    9.28217e+04    3.98101e+05   -2.33895e+04   -2.97114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66493e+04   -2.44330e+06    4.80276e+05   -1.96302e+06    2.19568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.07345e+02   -3.64907e+01    4.93786e-06


DD  step 208544999  vol min/aver 0.634  load imb.: force  4.7%  pme mesh/force 0.656
           Step           Time
      208545000   417090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20389e+03    2.01852e+04    1.30528e+04    1.14344e+03   -2.95519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76916e+03    9.20533e+04    4.01017e+05   -2.33869e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63612e+04   -2.44505e+06    4.80596e+05   -1.96446e+06    2.19574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.07299e+02    1.24637e+01    4.88258e-06


DD  step 208549999  vol min/aver 0.606  load imb.: force  5.7%  pme mesh/force 0.668
           Step           Time
      208550000   417100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17770e+03    1.95491e+04    1.29800e+04    1.20434e+03   -2.98639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75816e+03    9.22996e+04    4.01830e+05   -2.33469e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64975e+04   -2.44682e+06    4.78008e+05   -1.96881e+06    2.19580e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09901e+02   -2.06592e+02   -5.52058e+01    4.65292e-06


DD  step 208554999  vol min/aver 0.619  load imb.: force  3.6%  pme mesh/force 0.646
           Step           Time
      208555000   417110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93374e+03    1.96578e+04    1.31051e+04    1.10167e+03   -3.06357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90206e+03    9.26731e+04    4.01355e+05   -2.33936e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64156e+04   -2.44838e+06    4.80563e+05   -1.96781e+06    2.19585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.07418e+02    5.53370e+01    4.69393e-06


DD  step 208559999  vol min/aver 0.580  load imb.: force  4.2%  pme mesh/force 0.653
           Step           Time
      208560000   417120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66218e+03    1.93574e+04    1.30675e+04    1.22375e+03   -2.99151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87015e+03    9.23942e+04    3.98301e+05   -2.33634e+04   -2.97403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65327e+04   -2.44698e+06    4.79212e+05   -1.96777e+06    2.19590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10682e+02   -2.06883e+02   -3.03641e+01    4.90577e-06


DD  step 208564999  vol min/aver 0.606  load imb.: force  3.9%  pme mesh/force 0.663
           Step           Time
      208565000   417130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81559e+03    1.94190e+04    1.29347e+04    1.20221e+03   -3.00859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88883e+03    9.23604e+04    3.97567e+05   -2.34228e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63844e+04   -2.44871e+06    4.81414e+05   -1.96730e+06    2.19596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12109e+02   -2.07935e+02   -4.17760e+01    4.83120e-06


DD  step 208569999  vol min/aver 0.597  load imb.: force  5.5%  pme mesh/force 0.652
           Step           Time
      208570000   417140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08902e+03    1.94685e+04    1.30518e+04    1.21245e+03   -2.98077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79827e+03    9.22770e+04    4.00549e+05   -2.34052e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64498e+04   -2.44548e+06    4.79883e+05   -1.96560e+06    2.19602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.07623e+02    1.58259e+01    4.70500e-06


DD  step 208574999  vol min/aver 0.618  load imb.: force  5.0%  pme mesh/force 0.648
           Step           Time
      208575000   417150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73526e+03    1.94821e+04    1.29667e+04    1.18968e+03   -2.89519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88155e+03    9.27873e+04    3.99000e+05   -2.33518e+04   -2.97300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65268e+04   -2.44468e+06    4.79260e+05   -1.96542e+06    2.19609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.06678e+02   -3.40694e+01    4.98836e-06


DD  step 208579999  vol min/aver 0.621  load imb.: force  4.2%  pme mesh/force 0.651
           Step           Time
      208580000   417160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99078e+03    1.94940e+04    1.29155e+04    1.12713e+03   -3.07658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82020e+03    9.27753e+04    3.99572e+05   -2.34027e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65130e+04   -2.44703e+06    4.78291e+05   -1.96874e+06    2.19614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10085e+02   -2.07579e+02   -6.05925e+00    4.79067e-06


DD  step 208584999  vol min/aver 0.614  load imb.: force  5.2%  pme mesh/force 0.671
           Step           Time
      208585000   417170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94503e+03    1.95446e+04    1.29559e+04    1.17610e+03   -2.89488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88768e+03    9.24221e+04    4.00109e+05   -2.34098e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64088e+04   -2.44890e+06    4.79916e+05   -1.96898e+06    2.19620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.07705e+02   -4.29767e+00    4.75969e-06


DD  step 208589999  vol min/aver 0.574  load imb.: force  5.6%  pme mesh/force 0.653
           Step           Time
      208590000   417180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84468e+03    1.95048e+04    1.31570e+04    1.17498e+03   -3.02294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87836e+03    9.27382e+04    3.98251e+05   -2.33668e+04   -2.97084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63936e+04   -2.44328e+06    4.78603e+05   -1.96468e+06    2.19626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.06943e+02   -1.28972e+01    4.77983e-06


DD  step 208594999  vol min/aver 0.620  load imb.: force  4.0%  pme mesh/force 0.651
           Step           Time
      208595000   417190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95798e+03    1.98148e+04    1.29813e+04    1.18732e+03   -2.95338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82103e+03    9.29426e+04    3.96764e+05   -2.33970e+04   -2.97173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64249e+04   -2.44518e+06    4.81497e+05   -1.96369e+06    2.19631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12163e+02   -2.07478e+02   -5.37155e+01    4.81328e-06


DD  step 208599999  vol min/aver 0.616  load imb.: force  4.4%  pme mesh/force 0.652
           Step           Time
      208600000   417200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35775e+03    1.92412e+04    1.29599e+04    1.21511e+03   -2.99486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72951e+03    9.25076e+04    3.97967e+05   -2.33602e+04   -2.97110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66237e+04   -2.44385e+06    4.80806e+05   -1.96305e+06    2.19637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11715e+02   -2.06827e+02   -5.86874e+01    4.85172e-06


DD  step 208604999  vol min/aver 0.589  load imb.: force  4.5%  pme mesh/force 0.650
           Step           Time
      208605000   417210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93771e+03    1.93837e+04    1.30359e+04    1.19223e+03   -2.97847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85577e+03    9.21668e+04    3.97188e+05   -2.33579e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63053e+04   -2.44874e+06    4.78726e+05   -1.97001e+06    2.19642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10367e+02   -2.06785e+02   -1.49840e+02    4.83166e-06


DD  step 208609999  vol min/aver 0.575  load imb.: force  5.3%  pme mesh/force 0.669
           Step           Time
      208610000   417220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06085e+03    1.95701e+04    1.30810e+04    1.23828e+03   -2.98145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80415e+03    9.31110e+04    4.01538e+05   -2.33559e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65332e+04   -2.44479e+06    4.79603e+05   -1.96518e+06    2.19649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10935e+02   -2.06750e+02    9.18129e+00    4.62478e-06


DD  step 208614999  vol min/aver 0.599  load imb.: force  4.3%  pme mesh/force 0.654
           Step           Time
      208615000   417230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00964e+03    1.95104e+04    1.32104e+04    1.27920e+03   -3.07798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76740e+03    9.26560e+04    3.99273e+05   -2.33887e+04   -2.97469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65285e+04   -2.44592e+06    4.80532e+05   -1.96539e+06    2.19654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11537e+02   -2.07330e+02   -3.73681e+01    4.92561e-06

Writing checkpoint, step 208615100 at Tue Nov  7 11:31:28 2023



DD  step 208619999  vol min/aver 0.592  load imb.: force  4.4%  pme mesh/force 0.667
           Step           Time
      208620000   417240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87484e+03    1.91922e+04    1.29919e+04    1.27308e+03   -2.88635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88356e+03    9.29654e+04    4.00008e+05   -2.34271e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64820e+04   -2.44686e+06    4.80372e+05   -1.96649e+06    2.19660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11434e+02   -2.08011e+02    3.21013e+01    4.76610e-06


DD  step 208624999  vol min/aver 0.593  load imb.: force  5.2%  pme mesh/force 0.642
           Step           Time
      208625000   417250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91663e+03    1.94277e+04    1.32138e+04    1.23201e+03   -3.12017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77039e+03    9.25786e+04    4.03622e+05   -2.34345e+04   -2.98118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65016e+04   -2.44847e+06    4.79918e+05   -1.96855e+06    2.19666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.08142e+02    1.10170e+02    4.71838e-06


DD  step 208629999  vol min/aver 0.570  load imb.: force  4.5%  pme mesh/force 0.641
           Step           Time
      208630000   417260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00892e+03    1.94706e+04    1.29444e+04    1.25381e+03   -3.11406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92125e+03    9.28515e+04    3.98902e+05   -2.34141e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64092e+04   -2.44712e+06    4.81435e+05   -1.96568e+06    2.19672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12123e+02   -2.07780e+02    3.64361e+01    4.77149e-06


DD  step 208634999  vol min/aver 0.587  load imb.: force  4.5%  pme mesh/force 0.647
           Step           Time
      208635000   417270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86273e+03    1.94826e+04    1.29493e+04    1.22205e+03   -2.98838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95897e+03    9.28931e+04    4.02698e+05   -2.33804e+04   -2.98169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63791e+04   -2.44961e+06    4.80592e+05   -1.96902e+06    2.19678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.07184e+02    5.82191e+01    4.73910e-06


DD  step 208639999  vol min/aver 0.606  load imb.: force  4.3%  pme mesh/force 0.661
           Step           Time
      208640000   417280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00671e+03    1.91914e+04    1.31624e+04    1.20625e+03   -3.12209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76233e+03    9.26557e+04    4.00321e+05   -2.33884e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64586e+04   -2.44851e+06    4.79333e+05   -1.96918e+06    2.19683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.07326e+02   -6.72484e+00    4.86262e-06


DD  step 208644999  vol min/aver 0.593  load imb.: force  4.4%  pme mesh/force 0.638
           Step           Time
      208645000   417290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81932e+03    1.92154e+04    1.33033e+04    1.20302e+03   -3.07550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73912e+03    9.27864e+04    4.01142e+05   -2.34507e+04   -2.98041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64142e+04   -2.45031e+06    4.78748e+05   -1.97156e+06    2.19689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.08431e+02   -8.58679e+00    4.68990e-06


DD  step 208649999  vol min/aver 0.597  load imb.: force  4.4%  pme mesh/force 0.653
           Step           Time
      208650000   417300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00427e+03    1.93905e+04    1.31527e+04    1.16699e+03   -3.05646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83080e+03    9.26004e+04    3.98764e+05   -2.33616e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63336e+04   -2.44697e+06    4.78695e+05   -1.96827e+06    2.19695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10346e+02   -2.06851e+02   -6.17963e+01    4.80961e-06


DD  step 208654999  vol min/aver 0.637  load imb.: force  3.7%  pme mesh/force 0.648
           Step           Time
      208655000   417310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94621e+03    1.97378e+04    1.30968e+04    1.17703e+03   -3.06807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78452e+03    9.27775e+04    4.02121e+05   -2.34039e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67953e+04   -2.44508e+06    4.78861e+05   -1.96622e+06    2.19702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10454e+02   -2.07601e+02    6.07414e+01    4.67348e-06


DD  step 208659999  vol min/aver 0.608  load imb.: force  5.0%  pme mesh/force 0.661
           Step           Time
      208660000   417320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17299e+03    1.97219e+04    1.29260e+04    1.15597e+03   -3.02551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87383e+03    9.17705e+04    4.00189e+05   -2.34042e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64003e+04   -2.44724e+06    4.79023e+05   -1.96822e+06    2.19707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10559e+02   -2.07606e+02    6.38533e+00    4.78750e-06


DD  step 208664999  vol min/aver 0.635  load imb.: force  4.2%  pme mesh/force 0.640
           Step           Time
      208665000   417330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00769e+03    1.94040e+04    1.29800e+04    1.20699e+03   -3.10505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81106e+03    9.28002e+04    3.99276e+05   -2.34167e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64447e+04   -2.44948e+06    4.79272e+05   -1.97021e+06    2.19713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10720e+02   -2.07827e+02   -3.78761e+01    4.85564e-06


DD  step 208669999  vol min/aver 0.579  load imb.: force  4.4%  pme mesh/force 0.638
           Step           Time
      208670000   417340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99154e+03    1.97753e+04    1.28988e+04    1.18279e+03   -3.01748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84981e+03    9.24955e+04    4.00835e+05   -2.33800e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64891e+04   -2.44658e+06    4.79790e+05   -1.96679e+06    2.19719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11056e+02   -2.07177e+02   -1.64633e+00    4.90774e-06


DD  step 208674999  vol min/aver 0.610  load imb.: force  4.0%  pme mesh/force 0.658
           Step           Time
      208675000   417350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09735e+03    1.96668e+04    1.28857e+04    1.07127e+03   -3.08732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82265e+03    9.21852e+04    4.02357e+05   -2.33931e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64271e+04   -2.44613e+06    4.80455e+05   -1.96567e+06    2.19724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.07408e+02    7.26154e+01    4.78021e-06


DD  step 208679999  vol min/aver 0.606  load imb.: force  4.1%  pme mesh/force 0.654
           Step           Time
      208680000   417360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05543e+03    1.93118e+04    1.29719e+04    1.28583e+03   -3.01179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74708e+03    9.27308e+04    4.00517e+05   -2.33655e+04   -2.97309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63849e+04   -2.44346e+06    4.80793e+05   -1.96267e+06    2.19730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11706e+02   -2.06921e+02    2.09016e+01    4.81651e-06


DD  step 208684999  vol min/aver 0.569  load imb.: force  6.3%  pme mesh/force 0.695
           Step           Time
      208685000   417370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11229e+03    1.91409e+04    1.31900e+04    1.16145e+03   -3.07697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95779e+03    9.33159e+04    3.98896e+05   -2.34341e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64890e+04   -2.44682e+06    4.78051e+05   -1.96877e+06    2.19736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09929e+02   -2.08136e+02   -6.09525e+00    4.76967e-06


DD  step 208689999  vol min/aver 0.613  load imb.: force  5.7%  pme mesh/force 0.646
           Step           Time
      208690000   417380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97702e+03    1.92673e+04    1.31065e+04    1.14707e+03   -3.02127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73725e+03    9.28599e+04    4.00249e+05   -2.34151e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64635e+04   -2.44833e+06    4.78842e+05   -1.96948e+06    2.19742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.07799e+02   -1.21412e+01    4.84332e-06


DD  step 208694999  vol min/aver 0.602  load imb.: force  4.3%  pme mesh/force 0.651
           Step           Time
      208695000   417390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02686e+03    1.98368e+04    1.29543e+04    1.24181e+03   -3.04196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87582e+03    9.30179e+04    3.99301e+05   -2.33582e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63503e+04   -2.44690e+06    4.78953e+05   -1.96795e+06    2.19748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10514e+02   -2.06791e+02    9.70117e+00    4.96945e-06


DD  step 208699999  vol min/aver 0.637  load imb.: force  4.3%  pme mesh/force 0.646
           Step           Time
      208700000   417400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10117e+03    1.90205e+04    1.29545e+04    1.13586e+03   -2.99445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86116e+03    9.28484e+04    3.99546e+05   -2.33892e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63695e+04   -2.44892e+06    4.79625e+05   -1.96930e+06    2.19753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10950e+02   -2.07340e+02   -2.72366e+01    4.75882e-06


DD  step 208704999  vol min/aver 0.638  load imb.: force  6.0%  pme mesh/force 0.693
           Step           Time
      208705000   417410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79600e+03    1.94635e+04    1.29751e+04    1.22104e+03   -3.07803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88317e+03    9.28760e+04    3.99351e+05   -2.33567e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64929e+04   -2.44922e+06    4.79183e+05   -1.97004e+06    2.19759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.06764e+02   -2.62950e+01    5.07031e-06


DD  step 208709999  vol min/aver 0.649  load imb.: force  4.1%  pme mesh/force 0.630
           Step           Time
      208710000   417420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07817e+03    1.88971e+04    1.32133e+04    1.27517e+03   -3.05629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97332e+03    9.27199e+04    3.95820e+05   -2.33477e+04   -2.97072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63468e+04   -2.44580e+06    4.78259e+05   -1.96754e+06    2.19765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10064e+02   -2.06605e+02   -1.11981e+02    4.97888e-06


DD  step 208714999  vol min/aver 0.651  load imb.: force  5.0%  pme mesh/force 0.654
           Step           Time
      208715000   417430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84445e+03    1.95129e+04    1.30184e+04    1.21836e+03   -3.01935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72544e+03    9.22311e+04    4.01977e+05   -2.33757e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62962e+04   -2.44600e+06    4.79687e+05   -1.96631e+06    2.19771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.07101e+02    9.71120e+01    4.92924e-06


DD  step 208719999  vol min/aver 0.680  load imb.: force  5.8%  pme mesh/force 0.629
           Step           Time
      208720000   417440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05974e+03    1.96428e+04    1.29407e+04    1.14465e+03   -2.91369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92652e+03    9.23693e+04    4.00686e+05   -2.33908e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62748e+04   -2.44519e+06    4.80362e+05   -1.96482e+06    2.19776e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11427e+02   -2.07368e+02    2.47476e+01    4.99908e-06


DD  step 208724999  vol min/aver 0.657  load imb.: force  4.8%  pme mesh/force 0.647
           Step           Time
      208725000   417450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99700e+03    1.93574e+04    1.31339e+04    1.23079e+03   -3.04302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90941e+03    9.31774e+04    4.02023e+05   -2.33750e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65055e+04   -2.44672e+06    4.78598e+05   -1.96812e+06    2.19782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10283e+02   -2.07088e+02    6.21495e+01    5.03736e-06


DD  step 208729999  vol min/aver 0.632  load imb.: force  4.9%  pme mesh/force 0.648
           Step           Time
      208730000   417460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91931e+03    1.94214e+04    1.29362e+04    1.19330e+03   -2.98554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89770e+03    9.29171e+04    4.01958e+05   -2.33996e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63759e+04   -2.44574e+06    4.80454e+05   -1.96529e+06    2.19788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.07524e+02    9.89964e+01    5.26033e-06


DD  step 208734999  vol min/aver 0.647  load imb.: force  5.6%  pme mesh/force 0.668
           Step           Time
      208735000   417470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94722e+03    1.92786e+04    1.29125e+04    1.20238e+03   -3.02145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80999e+03    9.29038e+04    4.01120e+05   -2.34032e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64026e+04   -2.44937e+06    4.79473e+05   -1.96990e+06    2.19793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10851e+02   -2.07587e+02    1.54308e+01    5.12951e-06


DD  step 208739999  vol min/aver 0.614  load imb.: force  4.2%  pme mesh/force 0.652
           Step           Time
      208740000   417480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19079e+03    1.95964e+04    1.30601e+04    1.18183e+03   -2.92234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80456e+03    9.24033e+04    3.98357e+05   -2.33372e+04   -2.97213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64232e+04   -2.44437e+06    4.80226e+05   -1.96414e+06    2.19799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11339e+02   -2.06420e+02   -2.29702e+01    5.31390e-06


DD  step 208744999  vol min/aver 0.636  load imb.: force  4.8%  pme mesh/force 0.630
           Step           Time
      208745000   417490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95995e+03    1.97753e+04    1.30368e+04    1.22083e+03   -2.98499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86476e+03    9.26653e+04    4.02058e+05   -2.33476e+04   -2.97953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65043e+04   -2.44778e+06    4.79508e+05   -1.96827e+06    2.19805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10873e+02   -2.06604e+02    4.08879e+00    5.21802e-06


DD  step 208749999  vol min/aver 0.591  load imb.: force  4.7%  pme mesh/force 0.654
           Step           Time
      208750000   417500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93018e+03    1.99448e+04    1.30235e+04    1.28932e+03   -2.98276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77610e+03    9.24651e+04    3.98991e+05   -2.34127e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66197e+04   -2.44532e+06    4.80233e+05   -1.96509e+06    2.19810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11343e+02   -2.07756e+02    1.72184e+01    5.11793e-06


DD  step 208754999  vol min/aver 0.626  load imb.: force  4.3%  pme mesh/force 0.646
           Step           Time
      208755000   417510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24519e+03    1.93374e+04    1.30510e+04    1.30705e+03   -3.11308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78364e+03    9.25866e+04    3.98520e+05   -2.33842e+04   -2.97176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64215e+04   -2.44400e+06    4.80996e+05   -1.96301e+06    2.19816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11838e+02   -2.07251e+02   -6.76450e+01    5.24418e-06


DD  step 208759999  vol min/aver 0.604  load imb.: force  4.5%  pme mesh/force 0.650
           Step           Time
      208760000   417520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99799e+03    1.92463e+04    1.28622e+04    1.24551e+03   -3.01786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73871e+03    9.34353e+04    4.00211e+05   -2.33802e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66814e+04   -2.44706e+06    4.78462e+05   -1.96860e+06    2.19822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10196e+02   -2.07181e+02   -5.09561e+01    5.15949e-06


DD  step 208764999  vol min/aver 0.616  load imb.: force  3.6%  pme mesh/force 0.646
           Step           Time
      208765000   417530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95935e+03    1.96890e+04    1.30645e+04    1.15191e+03   -3.02584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88041e+03    9.27935e+04    4.01816e+05   -2.33908e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64231e+04   -2.44537e+06    4.82180e+05   -1.96319e+06    2.19828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12606e+02   -2.07367e+02    7.62608e+01    5.25686e-06


DD  step 208769999  vol min/aver 0.576  load imb.: force  4.3%  pme mesh/force 0.640
           Step           Time
      208770000   417540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82643e+03    1.93059e+04    1.29641e+04    1.18268e+03   -3.02465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85021e+03    9.27087e+04    4.01010e+05   -2.33401e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66086e+04   -2.44713e+06    4.78353e+05   -1.96878e+06    2.19833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10125e+02   -2.06471e+02   -3.74847e+01    4.98002e-06


DD  step 208774999  vol min/aver 0.620  load imb.: force  4.2%  pme mesh/force 0.638
           Step           Time
      208775000   417550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12131e+03    1.94592e+04    1.29443e+04    1.24048e+03   -3.13008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87423e+03    9.27094e+04    3.97595e+05   -2.33748e+04   -2.97251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65376e+04   -2.44554e+06    4.78511e+05   -1.96703e+06    2.19839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10227e+02   -2.07085e+02   -8.14442e+01    5.07747e-06


DD  step 208779999  vol min/aver 0.617  load imb.: force  4.7%  pme mesh/force 0.644
           Step           Time
      208780000   417560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01914e+03    1.91709e+04    1.28668e+04    1.14520e+03   -2.93335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81360e+03    9.23842e+04    4.01415e+05   -2.33583e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65099e+04   -2.44883e+06    4.78928e+05   -1.96990e+06    2.19845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.06793e+02   -2.94008e+00    5.20000e-06


DD  step 208784999  vol min/aver 0.595  load imb.: force  4.3%  pme mesh/force 0.652
           Step           Time
      208785000   417570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15608e+03    1.91301e+04    1.31152e+04    1.31684e+03   -3.12337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80311e+03    9.30770e+04    3.99338e+05   -2.34014e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65169e+04   -2.44707e+06    4.80243e+05   -1.96683e+06    2.19850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11350e+02   -2.07557e+02   -5.67348e+01    5.11749e-06


DD  step 208789999  vol min/aver 0.617  load imb.: force  3.8%  pme mesh/force 0.642
           Step           Time
      208790000   417580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17385e+03    1.96907e+04    1.32828e+04    1.16916e+03   -3.12147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78705e+03    9.23870e+04    3.99999e+05   -2.33883e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65705e+04   -2.44654e+06    4.79690e+05   -1.96685e+06    2.19856e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10992e+02   -2.07323e+02    3.86695e+01    5.18455e-06


DD  step 208794999  vol min/aver 0.606  load imb.: force  4.5%  pme mesh/force 0.647
           Step           Time
      208795000   417590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06376e+03    1.96083e+04    1.30074e+04    1.20753e+03   -2.94159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77382e+03    9.28371e+04    4.02435e+05   -2.34339e+04   -2.98096e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63352e+04   -2.44907e+06    4.79891e+05   -1.96918e+06    2.19862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11122e+02   -2.08132e+02    5.63241e+01    5.21691e-06


DD  step 208799999  vol min/aver 0.597  load imb.: force  4.6%  pme mesh/force 0.642
           Step           Time
      208800000   417600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81987e+03    1.94229e+04    1.29985e+04    1.19352e+03   -3.01326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84454e+03    9.27861e+04    4.00852e+05   -2.34116e+04   -2.97848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64068e+04   -2.44858e+06    4.79337e+05   -1.96924e+06    2.19868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10763e+02   -2.07736e+02    2.33500e+01    5.20576e-06


DD  step 208804999  vol min/aver 0.616  load imb.: force  5.1%  pme mesh/force 0.660
           Step           Time
      208805000   417610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23952e+03    1.95680e+04    1.33133e+04    1.23883e+03   -3.09359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82268e+03    9.27011e+04    4.01211e+05   -2.34104e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64585e+04   -2.44704e+06    4.80288e+05   -1.96675e+06    2.19874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.07715e+02    2.79401e+01    5.12774e-06


DD  step 208809999  vol min/aver 0.620  load imb.: force  4.5%  pme mesh/force 0.637
           Step           Time
      208810000   417620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95406e+03    1.95209e+04    1.30565e+04    1.21680e+03   -3.01304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74629e+03    9.26740e+04    3.99374e+05   -2.33800e+04   -2.97477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65780e+04   -2.44605e+06    4.81270e+05   -1.96478e+06    2.19879e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12016e+02   -2.07177e+02    8.01953e+00    5.34455e-06


DD  step 208814999  vol min/aver 0.589  load imb.: force  3.9%  pme mesh/force 0.647
           Step           Time
      208815000   417630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05521e+03    1.93543e+04    1.31943e+04    1.17212e+03   -3.09135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80187e+03    9.24840e+04    4.00743e+05   -2.34119e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64531e+04   -2.44852e+06    4.80551e+05   -1.96797e+06    2.19886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.07741e+02   -2.50737e+01    5.15043e-06


DD  step 208819999  vol min/aver 0.612  load imb.: force  5.5%  pme mesh/force 0.656
           Step           Time
      208820000   417640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13533e+03    1.98858e+04    1.29664e+04    1.09635e+03   -3.07679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83279e+03    9.28966e+04    4.01801e+05   -2.33903e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65069e+04   -2.44377e+06    4.80187e+05   -1.96358e+06    2.19892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.07359e+02    8.64063e+01    5.15232e-06


DD  step 208824999  vol min/aver 0.619  load imb.: force  4.8%  pme mesh/force 0.659
           Step           Time
      208825000   417650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05636e+03    1.91306e+04    1.28944e+04    1.21706e+03   -3.05527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82265e+03    9.25776e+04    3.99801e+05   -2.33546e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65585e+04   -2.44581e+06    4.79616e+05   -1.96620e+06    2.19897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.06728e+02   -2.63354e+01    5.20918e-06


DD  step 208829999  vol min/aver 0.626  load imb.: force  3.7%  pme mesh/force 0.642
           Step           Time
      208830000   417660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04634e+03    1.94443e+04    1.28393e+04    1.18098e+03   -3.00700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80931e+03    9.28789e+04    4.00629e+05   -2.33988e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62506e+04   -2.44768e+06    4.79590e+05   -1.96809e+06    2.19903e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10927e+02   -2.07510e+02    2.92092e+01    5.22787e-06


DD  step 208834999  vol min/aver 0.616  load imb.: force  5.2%  pme mesh/force 0.641
           Step           Time
      208835000   417670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14634e+03    1.93381e+04    1.30844e+04    1.19375e+03   -3.03036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83876e+03    9.28324e+04    4.00089e+05   -2.33761e+04   -2.97821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65974e+04   -2.44850e+06    4.78628e+05   -1.96987e+06    2.19909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10303e+02   -2.07108e+02   -3.36577e+01    5.24048e-06


DD  step 208839999  vol min/aver 0.643  load imb.: force  3.8%  pme mesh/force 0.648
           Step           Time
      208840000   417680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93430e+03    1.96262e+04    1.29835e+04    1.18399e+03   -3.02441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81453e+03    9.23756e+04    3.98437e+05   -2.33646e+04   -2.97276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66127e+04   -2.44518e+06    4.80817e+05   -1.96437e+06    2.19914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.06904e+02   -5.22051e+01    5.28065e-06


DD  step 208844999  vol min/aver 0.610  load imb.: force  3.8%  pme mesh/force 0.647
           Step           Time
      208845000   417690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99252e+03    1.95589e+04    1.30457e+04    1.20956e+03   -3.06376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83817e+03    9.22386e+04    4.01163e+05   -2.33945e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63353e+04   -2.44763e+06    4.80608e+05   -1.96702e+06    2.19920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.07434e+02    2.29984e+01    5.27539e-06


DD  step 208849999  vol min/aver 0.636  load imb.: force  3.5%  pme mesh/force 0.648
           Step           Time
      208850000   417700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21553e+03    1.94942e+04    1.30329e+04    1.16194e+03   -3.08296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82669e+03    9.18937e+04    3.98410e+05   -2.33628e+04   -2.97143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65086e+04   -2.44433e+06    4.83326e+05   -1.96100e+06    2.19926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13349e+02   -2.06872e+02   -2.39912e+01    5.26580e-06


DD  step 208854999  vol min/aver 0.652  load imb.: force  4.3%  pme mesh/force 0.635
           Step           Time
      208855000   417710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10428e+03    1.93661e+04    1.30959e+04    1.21978e+03   -2.98900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88781e+03    9.24582e+04    4.00772e+05   -2.33391e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66403e+04   -2.44608e+06    4.78404e+05   -1.96767e+06    2.19932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10158e+02   -2.06454e+02   -6.86052e+00    5.49166e-06


DD  step 208859999  vol min/aver 0.656  load imb.: force  4.1%  pme mesh/force 0.643
           Step           Time
      208860000   417720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24955e+03    1.93907e+04    1.28574e+04    1.20609e+03   -3.04531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69201e+03    9.21116e+04    4.01216e+05   -2.33618e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65161e+04   -2.44794e+06    4.79110e+05   -1.96883e+06    2.19938e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10616e+02   -2.06855e+02   -2.22594e+01    5.28708e-06


DD  step 208864999  vol min/aver 0.652  load imb.: force  5.6%  pme mesh/force 0.654
           Step           Time
      208865000   417730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82847e+03    1.88619e+04    1.30339e+04    1.19244e+03   -3.08420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79321e+03    9.28223e+04    4.04297e+05   -2.33852e+04   -2.98328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63827e+04   -2.45053e+06    4.77158e+05   -1.97337e+06    2.19944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09350e+02   -2.07270e+02    9.18524e+01    5.37621e-06


DD  step 208869999  vol min/aver 0.628  load imb.: force  4.5%  pme mesh/force 0.651
           Step           Time
      208870000   417740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76255e+03    1.92438e+04    1.30847e+04    1.22894e+03   -3.01825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96043e+03    9.26979e+04    4.00350e+05   -2.34173e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63946e+04   -2.44655e+06    4.78309e+05   -1.96824e+06    2.19950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10096e+02   -2.07837e+02    8.06237e+01    5.24801e-06


DD  step 208874999  vol min/aver 0.654  load imb.: force  4.6%  pme mesh/force 0.654
           Step           Time
      208875000   417750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93567e+03    1.94676e+04    1.30562e+04    1.25693e+03   -3.01697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92732e+03    9.24519e+04    4.00831e+05   -2.34178e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64768e+04   -2.44710e+06    4.80506e+05   -1.96659e+06    2.19955e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.07847e+02    3.67399e+01    5.26006e-06


DD  step 208879999  vol min/aver 0.668  load imb.: force  5.2%  pme mesh/force 0.655
           Step           Time
      208880000   417760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79750e+03    1.92930e+04    1.30152e+04    1.22569e+03   -2.93080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87808e+03    9.26516e+04    4.00842e+05   -2.33839e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65551e+04   -2.44843e+06    4.79016e+05   -1.96941e+06    2.19961e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.07247e+02    4.63194e+01    5.18898e-06


DD  step 208884999  vol min/aver 0.650  load imb.: force  5.6%  pme mesh/force 0.656
           Step           Time
      208885000   417770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29446e+03    1.94009e+04    1.30622e+04    1.24666e+03   -3.03789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83047e+03    9.25936e+04    3.98205e+05   -2.33914e+04   -2.97286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65102e+04   -2.44515e+06    4.80696e+05   -1.96445e+06    2.19967e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11644e+02   -2.07379e+02   -8.72444e+01    5.25653e-06


DD  step 208889999  vol min/aver 0.644  load imb.: force  3.8%  pme mesh/force 0.640
           Step           Time
      208890000   417780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12625e+03    1.97317e+04    1.29217e+04    1.21025e+03   -3.06840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77638e+03    9.20271e+04    4.01089e+05   -2.33341e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65660e+04   -2.44622e+06    4.80955e+05   -1.96526e+06    2.19973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11812e+02   -2.06365e+02    2.45568e+01    5.30774e-06


DD  step 208894999  vol min/aver 0.655  load imb.: force  4.4%  pme mesh/force 0.652
           Step           Time
      208895000   417790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97770e+03    1.95659e+04    1.30827e+04    1.15187e+03   -3.06476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00696e+03    9.31616e+04    3.98424e+05   -2.33795e+04   -2.97260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63098e+04   -2.44436e+06    4.81384e+05   -1.96298e+06    2.19979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12090e+02   -2.07168e+02    2.23097e+00    5.33825e-06


DD  step 208899999  vol min/aver 0.665  load imb.: force  5.0%  pme mesh/force 0.635
           Step           Time
      208900000   417800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08070e+03    1.96325e+04    1.32614e+04    1.20087e+03   -3.10264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59651e+03    9.24151e+04    4.01721e+05   -2.33889e+04   -2.97564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64708e+04   -2.44475e+06    4.80093e+05   -1.96466e+06    2.19984e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11253e+02   -2.07334e+02    1.00348e+01    5.40366e-06


DD  step 208904999  vol min/aver 0.648  load imb.: force  4.6%  pme mesh/force 0.655
           Step           Time
      208905000   417810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15056e+03    1.93656e+04    1.31867e+04    1.22272e+03   -3.08025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80257e+03    9.24485e+04    3.99915e+05   -2.34055e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63257e+04   -2.44721e+06    4.81241e+05   -1.96597e+06    2.19990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11997e+02   -2.07629e+02    1.53253e+01    5.33977e-06


DD  step 208909999  vol min/aver 0.624  load imb.: force  5.1%  pme mesh/force 0.652
           Step           Time
      208910000   417820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30422e+03    1.93283e+04    1.30458e+04    1.24309e+03   -3.08871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71097e+03    9.24050e+04    3.97324e+05   -2.33999e+04   -2.97255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64465e+04   -2.44623e+06    4.80094e+05   -1.96613e+06    2.19996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.07530e+02   -1.11589e+02    5.38185e-06


DD  step 208914999  vol min/aver 0.660  load imb.: force  4.3%  pme mesh/force 0.649
           Step           Time
      208915000   417830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31852e+03    1.92563e+04    1.30474e+04    1.28311e+03   -3.03946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80601e+03    9.30645e+04    3.99553e+05   -2.34267e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66267e+04   -2.44722e+06    4.80102e+05   -1.96711e+06    2.20002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11259e+02   -2.08003e+02   -3.79236e+00    5.32895e-06


DD  step 208919999  vol min/aver 0.649  load imb.: force  4.8%  pme mesh/force 0.637
           Step           Time
      208920000   417840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12428e+03    1.96243e+04    1.30585e+04    1.15753e+03   -2.96482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79164e+03    9.23801e+04    4.00159e+05   -2.34109e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64941e+04   -2.44649e+06    4.78760e+05   -1.96773e+06    2.20008e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10389e+02   -2.07725e+02    9.93835e+00    5.29159e-06


DD  step 208924999  vol min/aver 0.598  load imb.: force  5.4%  pme mesh/force 0.660
           Step           Time
      208925000   417850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20034e+03    1.94386e+04    1.30891e+04    1.15068e+03   -3.03754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79060e+03    9.22324e+04    3.98340e+05   -2.33496e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65260e+04   -2.44782e+06    4.79991e+05   -1.96782e+06    2.20013e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11187e+02   -2.06639e+02   -5.22013e+01    5.37216e-06


DD  step 208929999  vol min/aver 0.615  load imb.: force  6.5%  pme mesh/force 0.676
           Step           Time
      208930000   417860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10657e+03    1.96382e+04    1.30511e+04    1.16711e+03   -3.07109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77504e+03    9.28489e+04    3.99722e+05   -2.33572e+04   -2.97401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64760e+04   -2.44466e+06    4.79431e+05   -1.96523e+06    2.20020e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10824e+02   -2.06773e+02   -1.81279e+01    5.31473e-06


DD  step 208934999  vol min/aver 0.664  load imb.: force  7.1%  pme mesh/force 0.702
           Step           Time
      208935000   417870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21800e+03    1.95996e+04    1.31692e+04    1.18386e+03   -2.98583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69057e+03    9.26408e+04    4.01432e+05   -2.34005e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65499e+04   -2.44456e+06    4.80363e+05   -1.96420e+06    2.20025e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.07539e+02    5.92644e+01    5.17232e-06


DD  step 208939999  vol min/aver 0.649  load imb.: force  4.6%  pme mesh/force 0.641
           Step           Time
      208940000   417880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09493e+03    1.95865e+04    1.30323e+04    1.10080e+03   -2.93074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79532e+03    9.25654e+04    4.01176e+05   -2.34116e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64325e+04   -2.44764e+06    4.79943e+05   -1.96770e+06    2.20031e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.07737e+02    3.27141e+01    5.30825e-06


DD  step 208944999  vol min/aver 0.632  load imb.: force  4.9%  pme mesh/force 0.644
           Step           Time
      208945000   417890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74029e+03    1.91641e+04    1.30564e+04    1.22272e+03   -3.04121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87570e+03    9.26939e+04    4.01142e+05   -2.33661e+04   -2.97876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64867e+04   -2.44879e+06    4.78857e+05   -1.96993e+06    2.20037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.06931e+02   -3.43138e+01    5.41108e-06


DD  step 208949999  vol min/aver 0.606  load imb.: force  4.4%  pme mesh/force 0.662
           Step           Time
      208950000   417900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83378e+03    1.91901e+04    1.30603e+04    1.17648e+03   -3.02550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87573e+03    9.29295e+04    4.02205e+05   -2.33632e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65789e+04   -2.44710e+06    4.80312e+05   -1.96679e+06    2.20042e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11395e+02   -2.06880e+02    5.58465e+01    5.41321e-06


DD  step 208954999  vol min/aver 0.614  load imb.: force  5.0%  pme mesh/force 0.652
           Step           Time
      208955000   417910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01238e+03    1.94671e+04    1.30615e+04    1.25183e+03   -3.04549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77673e+03    9.29141e+04    4.01740e+05   -2.33634e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66791e+04   -2.44660e+06    4.83120e+05   -1.96348e+06    2.20048e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13215e+02   -2.06883e+02    7.94503e+01    5.46593e-06


DD  step 208959999  vol min/aver 0.648  load imb.: force  4.2%  pme mesh/force 0.657
           Step           Time
      208960000   417920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86126e+03    1.97754e+04    1.31703e+04    1.19101e+03   -3.01549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90490e+03    9.29516e+04    3.97354e+05   -2.33980e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65201e+04   -2.44740e+06    4.81509e+05   -1.96589e+06    2.20054e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12171e+02   -2.07496e+02   -5.29026e+01    5.35609e-06


DD  step 208964999  vol min/aver 0.656  load imb.: force  3.9%  pme mesh/force 0.649
           Step           Time
      208965000   417930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85217e+03    1.94399e+04    1.28984e+04    1.15024e+03   -2.98920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80915e+03    9.29228e+04    3.99918e+05   -2.33884e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65644e+04   -2.44725e+06    4.80750e+05   -1.96650e+06    2.20060e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11679e+02   -2.07326e+02    2.14085e+01    5.25787e-06


DD  step 208969999  vol min/aver 0.649  load imb.: force  4.4%  pme mesh/force 0.656
           Step           Time
      208970000   417940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95553e+03    1.94519e+04    1.30081e+04    1.19880e+03   -2.97587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81614e+03    9.28719e+04    3.96621e+05   -2.33642e+04   -2.97259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64485e+04   -2.44655e+06    4.80509e+05   -1.96604e+06    2.20066e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11523e+02   -2.06897e+02   -5.24562e+01    5.40270e-06


DD  step 208974999  vol min/aver 0.625  load imb.: force  5.3%  pme mesh/force 0.668
           Step           Time
      208975000   417950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91373e+03    1.94104e+04    1.28515e+04    1.22150e+03   -2.87079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78883e+03    9.26219e+04    4.03042e+05   -2.34467e+04   -2.97989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63091e+04   -2.44805e+06    4.78484e+05   -1.96956e+06    2.20072e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10209e+02   -2.08360e+02    1.35544e+02    5.14601e-06


DD  step 208979999  vol min/aver 0.686  load imb.: force  6.0%  pme mesh/force 0.651
           Step           Time
      208980000   417960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12487e+03    1.94794e+04    1.29260e+04    1.10965e+03   -2.92442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93990e+03    9.29211e+04    4.03177e+05   -2.33995e+04   -2.98127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64655e+04   -2.44845e+06    4.80711e+05   -1.96774e+06    2.20078e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11653e+02   -2.07523e+02    8.98935e+01    5.34142e-06


DD  step 208984999  vol min/aver 0.665  load imb.: force  6.5%  pme mesh/force 0.655
           Step           Time
      208985000   417970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85437e+03    1.96960e+04    1.30894e+04    1.15087e+03   -3.09364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84541e+03    9.27473e+04    3.96838e+05   -2.33650e+04   -2.97264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64664e+04   -2.44641e+06    4.79667e+05   -1.96674e+06    2.20084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10977e+02   -2.06912e+02   -7.23024e+01    5.26195e-06


DD  step 208989999  vol min/aver 0.664  load imb.: force  7.1%  pme mesh/force 0.669
           Step           Time
      208990000   417980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13837e+03    1.97977e+04    1.29077e+04    1.15678e+03   -2.95410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77268e+03    9.26208e+04    3.99846e+05   -2.33387e+04   -2.97314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64904e+04   -2.44371e+06    4.80582e+05   -1.96313e+06    2.20090e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11570e+02   -2.06446e+02   -3.76615e+01    5.34698e-06


DD  step 208994999  vol min/aver 0.668  load imb.: force  4.6%  pme mesh/force 0.648
           Step           Time
      208995000   417990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95232e+03    1.96293e+04    1.29147e+04    1.21141e+03   -2.91410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90721e+03    9.26103e+04    3.99173e+05   -2.33924e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64014e+04   -2.44605e+06    4.78405e+05   -1.96765e+06    2.20095e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10158e+02   -2.07397e+02    3.38914e+01    5.34871e-06

Writing checkpoint, step 208998150 at Tue Nov  7 11:46:28 2023



DD  step 208999999  vol min/aver 0.687  load imb.: force  5.7%  pme mesh/force 0.665
           Step           Time
      209000000   418000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32157e+03    1.93426e+04    1.29129e+04    1.18709e+03   -3.04814e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79462e+03    9.29538e+04    4.02618e+05   -2.34131e+04   -2.97997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64337e+04   -2.44787e+06    4.79595e+05   -1.96828e+06    2.20101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.07762e+02    6.80189e+01    5.35134e-06


DD  step 209004999  vol min/aver 0.682  load imb.: force  7.6%  pme mesh/force 0.657
           Step           Time
      209005000   418010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11369e+03    1.95468e+04    1.31517e+04    1.17839e+03   -2.94100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77721e+03    9.36221e+04    4.01045e+05   -2.33802e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63541e+04   -2.44461e+06    4.80376e+05   -1.96423e+06    2.20107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11436e+02   -2.07180e+02    6.41313e+01    5.23951e-06


DD  step 209009999  vol min/aver 0.669  load imb.: force  4.8%  pme mesh/force 0.653
           Step           Time
      209010000   418020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91514e+03    1.90935e+04    1.30101e+04    1.24175e+03   -3.12973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77425e+03    9.32957e+04    4.01281e+05   -2.34001e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65151e+04   -2.44852e+06    4.77646e+05   -1.97088e+06    2.20113e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09666e+02   -2.07532e+02    2.42779e+01    5.33925e-06


DD  step 209014999  vol min/aver 0.668  load imb.: force  4.4%  pme mesh/force 0.643
           Step           Time
      209015000   418030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19765e+03    1.94001e+04    1.29517e+04    1.19113e+03   -3.07408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69424e+03    9.33197e+04    4.00939e+05   -2.33804e+04   -2.97916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65206e+04   -2.44840e+06    4.79980e+05   -1.96842e+06    2.20118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.07184e+02   -6.81494e+01    5.40702e-06


DD  step 209019999  vol min/aver 0.673  load imb.: force  4.5%  pme mesh/force 0.648
           Step           Time
      209020000   418040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97416e+03    1.94361e+04    1.31160e+04    1.15552e+03   -3.00007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83361e+03    9.33283e+04    3.99836e+05   -2.33767e+04   -2.97678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65332e+04   -2.44695e+06    4.80480e+05   -1.96647e+06    2.20124e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11503e+02   -2.07118e+02   -1.83442e+01    5.45606e-06


DD  step 209024999  vol min/aver 0.667  load imb.: force  5.7%  pme mesh/force 0.652
           Step           Time
      209025000   418050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79659e+03    1.94340e+04    1.31775e+04    1.11224e+03   -3.02316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90422e+03    9.29897e+04    3.99074e+05   -2.34028e+04   -2.97318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64984e+04   -2.44462e+06    4.80982e+05   -1.96363e+06    2.20129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11829e+02   -2.07581e+02    6.69951e+01    5.22007e-06


DD  step 209029999  vol min/aver 0.666  load imb.: force  3.7%  pme mesh/force 0.645
           Step           Time
      209030000   418060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98321e+03    1.97889e+04    1.30648e+04    1.13345e+03   -3.00488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85660e+03    9.33231e+04    4.03006e+05   -2.33967e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65912e+04   -2.44583e+06    4.79005e+05   -1.96683e+06    2.20136e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10547e+02   -2.07472e+02    8.49497e+01    5.19811e-06


DD  step 209034999  vol min/aver 0.651  load imb.: force  4.5%  pme mesh/force 0.657
           Step           Time
      209035000   418070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28532e+03    1.92939e+04    1.29602e+04    1.17530e+03   -2.90278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67732e+03    9.31344e+04    4.00684e+05   -2.33828e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64953e+04   -2.44686e+06    4.77752e+05   -1.96910e+06    2.20142e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09735e+02   -2.07227e+02    6.83287e+00    5.40175e-06


DD  step 209039999  vol min/aver 0.686  load imb.: force  4.2%  pme mesh/force 0.652
           Step           Time
      209040000   418080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13641e+03    1.92673e+04    1.29758e+04    1.16118e+03   -3.07907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81747e+03    9.32199e+04    3.99966e+05   -2.33728e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63998e+04   -2.44844e+06    4.77830e+05   -1.97061e+06    2.20147e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09785e+02   -2.07049e+02   -4.30475e+01    5.21071e-06


DD  step 209044999  vol min/aver 0.679  load imb.: force  4.9%  pme mesh/force 0.641
           Step           Time
      209045000   418090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09764e+03    1.92339e+04    1.31447e+04    1.15883e+03   -3.07461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86992e+03    9.31166e+04    3.99872e+05   -2.33625e+04   -2.97517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64066e+04   -2.44571e+06    4.78660e+05   -1.96704e+06    2.20153e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10324e+02   -2.06867e+02   -2.14265e+01    5.36781e-06


DD  step 209049999  vol min/aver 0.667  load imb.: force  3.6%  pme mesh/force 0.634
           Step           Time
      209050000   418100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16798e+03    1.94226e+04    1.30176e+04    1.15798e+03   -3.02122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79791e+03    9.31137e+04    3.99757e+05   -2.34183e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64930e+04   -2.44839e+06    4.78413e+05   -1.96998e+06    2.20159e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10163e+02   -2.07856e+02   -3.12283e+01    5.27232e-06


DD  step 209054999  vol min/aver 0.680  load imb.: force  4.1%  pme mesh/force 0.648
           Step           Time
      209055000   418110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93519e+03    1.93790e+04    1.32895e+04    1.20551e+03   -3.11829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76960e+03    9.35218e+04    3.99136e+05   -2.34181e+04   -2.97460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66270e+04   -2.44527e+06    4.81026e+05   -1.96425e+06    2.20165e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11858e+02   -2.07853e+02   -2.21653e+01    5.27470e-06


DD  step 209059999  vol min/aver 0.655  load imb.: force  3.3%  pme mesh/force 0.644
           Step           Time
      209060000   418120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13994e+03    1.92147e+04    1.30000e+04    1.23683e+03   -3.11311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79485e+03    9.31443e+04    4.02132e+05   -2.33194e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62107e+04   -2.44687e+06    4.82196e+05   -1.96468e+06    2.20170e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12616e+02   -2.06105e+02   -3.61786e-01    5.33112e-06


DD  step 209064999  vol min/aver 0.671  load imb.: force  4.3%  pme mesh/force 0.645
           Step           Time
      209065000   418130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07776e+03    1.92738e+04    1.31705e+04    1.18584e+03   -3.05171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92413e+03    9.32520e+04    3.99720e+05   -2.33757e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64208e+04   -2.44717e+06    4.79936e+05   -1.96724e+06    2.20176e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.07100e+02    1.02161e+00    5.38996e-06


DD  step 209069999  vol min/aver 0.654  load imb.: force  4.5%  pme mesh/force 0.647
           Step           Time
      209070000   418140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89131e+03    1.88755e+04    1.32367e+04    1.11722e+03   -3.01503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97153e+03    9.33614e+04    3.99367e+05   -2.34088e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64608e+04   -2.44602e+06    4.78860e+05   -1.96716e+06    2.20182e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10453e+02   -2.07687e+02    7.75481e+01    5.33404e-06


DD  step 209074999  vol min/aver 0.632  load imb.: force  4.0%  pme mesh/force 0.649
           Step           Time
      209075000   418150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81917e+03    1.94455e+04    1.30125e+04    1.11906e+03   -3.02865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76920e+03    9.28797e+04    3.98345e+05   -2.33561e+04   -2.97299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63966e+04   -2.44559e+06    4.78744e+05   -1.96684e+06    2.20188e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10378e+02   -2.06754e+02   -4.31042e+01    5.25092e-06


DD  step 209079999  vol min/aver 0.692  load imb.: force  4.8%  pme mesh/force 0.648
           Step           Time
      209080000   418160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97328e+03    1.90758e+04    1.31615e+04    1.16949e+03   -3.09153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92551e+03    9.35662e+04    4.00580e+05   -2.33410e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64538e+04   -2.44699e+06    4.81376e+05   -1.96562e+06    2.20193e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12085e+02   -2.06487e+02   -3.77224e+01    5.22170e-06


DD  step 209084999  vol min/aver 0.635  load imb.: force  4.6%  pme mesh/force 0.656
           Step           Time
      209085000   418170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28361e+03    1.89918e+04    1.29386e+04    1.19482e+03   -3.02470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85554e+03    9.39730e+04    4.00849e+05   -2.33939e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66558e+04   -2.44547e+06    4.80314e+05   -1.96516e+06    2.20200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11396e+02   -2.07424e+02    2.48484e+01    5.30884e-06


DD  step 209089999  vol min/aver 0.651  load imb.: force  4.2%  pme mesh/force 0.637
           Step           Time
      209090000   418180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99914e+03    1.96801e+04    1.30786e+04    1.19020e+03   -3.05100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80933e+03    9.30617e+04    4.01285e+05   -2.34032e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64114e+04   -2.44666e+06    4.78579e+05   -1.96808e+06    2.20205e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10271e+02   -2.07587e+02    2.36674e+01    5.29979e-06


DD  step 209094999  vol min/aver 0.666  load imb.: force  4.3%  pme mesh/force 0.637
           Step           Time
      209095000   418190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38763e+03    1.98429e+04    1.30365e+04    1.25641e+03   -3.05001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75739e+03    9.27002e+04    4.00460e+05   -2.34261e+04   -2.97401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66528e+04   -2.44339e+06    4.81897e+05   -1.96150e+06    2.20211e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12423e+02   -2.07994e+02    7.27843e+01    5.19885e-06


DD  step 209099999  vol min/aver 0.689  load imb.: force  4.3%  pme mesh/force 0.646
           Step           Time
      209100000   418200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10466e+03    1.93295e+04    1.32120e+04    1.21399e+03   -2.92868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84268e+03    9.31155e+04    4.00192e+05   -2.33434e+04   -2.97339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64648e+04   -2.44319e+06    4.80994e+05   -1.96220e+06    2.20217e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11837e+02   -2.06529e+02   -7.67754e+00    5.22787e-06


DD  step 209104999  vol min/aver 0.662  load imb.: force  8.3%  pme mesh/force 0.714
           Step           Time
      209105000   418210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88024e+03    1.94333e+04    1.30549e+04    1.14720e+03   -3.04992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97687e+03    9.33956e+04    4.02476e+05   -2.33701e+04   -2.98031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63569e+04   -2.44801e+06    4.79494e+05   -1.96852e+06    2.20223e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.07002e+02    1.03588e+02    5.23216e-06


DD  step 209109999  vol min/aver 0.704  load imb.: force  4.5%  pme mesh/force 0.647
           Step           Time
      209110000   418220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67922e+03    1.95752e+04    1.30641e+04    1.14004e+03   -3.01248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79963e+03    9.32095e+04    3.99174e+05   -2.33921e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65087e+04   -2.45000e+06    4.78321e+05   -1.97168e+06    2.20229e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10104e+02   -2.07390e+02   -5.23497e+01    5.29623e-06


DD  step 209114999  vol min/aver 0.715  load imb.: force  5.3%  pme mesh/force 0.653
           Step           Time
      209115000   418230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00358e+03    1.92196e+04    1.32587e+04    1.26102e+03   -3.02587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84254e+03    9.32416e+04    3.98271e+05   -2.33529e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67342e+04   -2.44525e+06    4.80065e+05   -1.96518e+06    2.20235e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11234e+02   -2.06698e+02   -8.59618e+01    5.32433e-06


DD  step 209119999  vol min/aver 0.692  load imb.: force  5.5%  pme mesh/force 0.674
           Step           Time
      209120000   418240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02935e+03    1.91951e+04    1.31793e+04    1.23697e+03   -2.96643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93342e+03    9.31446e+04    3.96402e+05   -2.33786e+04   -2.96970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63693e+04   -2.44356e+06    4.80349e+05   -1.96321e+06    2.20240e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11419e+02   -2.07152e+02   -7.75098e+01    5.49872e-06


DD  step 209124999  vol min/aver 0.713  load imb.: force  5.8%  pme mesh/force 0.668
           Step           Time
      209125000   418250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81314e+03    1.93966e+04    1.30078e+04    1.24832e+03   -3.08526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93553e+03    9.32688e+04    4.00792e+05   -2.34015e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65134e+04   -2.44539e+06    4.80974e+05   -1.96442e+06    2.20246e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11824e+02   -2.07557e+02    7.93104e+01    5.41200e-06


DD  step 209129999  vol min/aver 0.724  load imb.: force  4.1%  pme mesh/force 0.645
           Step           Time
      209130000   418260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14929e+03    1.90904e+04    1.30143e+04    1.25909e+03   -3.12405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69095e+03    9.30785e+04    4.00634e+05   -2.34079e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64977e+04   -2.44785e+06    4.80453e+05   -1.96740e+06    2.20252e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.07671e+02   -4.05924e+01    5.39424e-06


DD  step 209134999  vol min/aver 0.717  load imb.: force  4.6%  pme mesh/force 0.649
           Step           Time
      209135000   418270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83698e+03    1.92394e+04    1.31420e+04    1.22493e+03   -3.18327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93347e+03    9.26238e+04    4.00518e+05   -2.33467e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65481e+04   -2.44678e+06    4.78074e+05   -1.96871e+06    2.20258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09944e+02   -2.06588e+02   -9.70261e+00    5.27950e-06


DD  step 209139999  vol min/aver 0.728  load imb.: force  4.6%  pme mesh/force 0.648
           Step           Time
      209140000   418280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88768e+03    1.93019e+04    1.31215e+04    1.18031e+03   -3.06561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94096e+03    9.35092e+04    4.01044e+05   -2.33505e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66097e+04   -2.44540e+06    4.80333e+05   -1.96506e+06    2.20264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11408e+02   -2.06655e+02    5.92922e+01    5.26738e-06


step 209144200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 29 min 888 max 1048

DD  step 209144999 load imb.: force 13.9%  pme mesh/force 0.687
           Step           Time
      209145000   418290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28362e+03    1.89977e+04    1.30564e+04    1.10264e+03   -3.05283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81238e+03    9.27151e+04    4.01105e+05   -2.33772e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64528e+04   -2.44803e+06    4.80551e+05   -1.96748e+06    2.20269e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.07128e+02   -1.55208e+00    5.45209e-06


DD  step 209149999 load imb.: force 13.7%  pme mesh/force 0.705
           Step           Time
      209150000   418300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93276e+03    1.93618e+04    1.31055e+04    1.13225e+03   -3.03397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83840e+03    9.35271e+04    4.00008e+05   -2.33734e+04   -2.97951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62977e+04   -2.44972e+06    4.78916e+05   -1.97080e+06    2.20275e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10490e+02   -2.07060e+02   -7.10737e+01    5.20140e-06


step 209150200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.1 %.

DD  step 209154999  vol min/aver 0.719  load imb.: force  4.2%  pme mesh/force 0.649
           Step           Time
      209155000   418310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93246e+03    1.93252e+04    1.28815e+04    1.19139e+03   -2.94528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80517e+03    9.27353e+04    4.00815e+05   -2.33859e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66222e+04   -2.44814e+06    4.78779e+05   -1.96936e+06    2.20281e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10401e+02   -2.07282e+02   -1.88691e+01    5.38362e-06


DD  step 209159999  vol min/aver 0.679  load imb.: force  4.3%  pme mesh/force 0.643
           Step           Time
      209160000   418320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12029e+03    1.93462e+04    1.32276e+04    1.18461e+03   -3.04687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91303e+03    9.25561e+04    4.03767e+05   -2.33938e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65756e+04   -2.44656e+06    4.82320e+05   -1.96424e+06    2.20287e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12697e+02   -2.07422e+02    1.38483e+02    5.44571e-06


DD  step 209164999  vol min/aver 0.690  load imb.: force  4.4%  pme mesh/force 0.651
           Step           Time
      209165000   418330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10221e+03    1.92835e+04    1.29777e+04    1.10631e+03   -2.99960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87790e+03    9.30499e+04    3.99495e+05   -2.33991e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64547e+04   -2.44858e+06    4.78424e+05   -1.97016e+06    2.20293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10171e+02   -2.07515e+02   -4.31045e+01    5.32524e-06


DD  step 209169999  vol min/aver 0.684  load imb.: force  4.5%  pme mesh/force 0.659
           Step           Time
      209170000   418340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03429e+03    1.92727e+04    1.30477e+04    1.16851e+03   -3.02471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85788e+03    9.32104e+04    3.98882e+05   -2.33906e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65355e+04   -2.44874e+06    4.79284e+05   -1.96945e+06    2.20299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10728e+02   -2.07365e+02   -6.75238e+01    5.40311e-06


DD  step 209174999  vol min/aver 0.715  load imb.: force  4.9%  pme mesh/force 0.655
           Step           Time
      209175000   418350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12111e+03    1.94668e+04    1.33119e+04    1.19880e+03   -3.08560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85062e+03    9.31121e+04    3.99544e+05   -2.33628e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64691e+04   -2.44432e+06    4.81656e+05   -1.96266e+06    2.20304e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12266e+02   -2.06873e+02   -6.02055e+00    5.29296e-06


DD  step 209179999  vol min/aver 0.655  load imb.: force  5.0%  pme mesh/force 0.650
           Step           Time
      209180000   418360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20860e+03    1.90771e+04    1.30309e+04    1.14312e+03   -3.02435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74565e+03    9.34058e+04    4.01350e+05   -2.33553e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66095e+04   -2.44647e+06    4.78626e+05   -1.96785e+06    2.20310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10302e+02   -2.06739e+02   -1.19380e+01    5.51986e-06


DD  step 209184999  vol min/aver 0.687  load imb.: force  4.6%  pme mesh/force 0.649
           Step           Time
      209185000   418370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00615e+03    1.92736e+04    1.32271e+04    1.18776e+03   -3.04843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76727e+03    9.31790e+04    3.99862e+05   -2.33591e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64670e+04   -2.44631e+06    4.79373e+05   -1.96694e+06    2.20316e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.06808e+02   -7.51278e+01    5.34611e-06


DD  step 209189999  vol min/aver 0.685  load imb.: force  6.3%  pme mesh/force 0.673
           Step           Time
      209190000   418380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14749e+03    1.91482e+04    1.31125e+04    1.18175e+03   -3.03552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73626e+03    9.32785e+04    4.00188e+05   -2.33978e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64253e+04   -2.44576e+06    4.79913e+05   -1.96584e+06    2.20322e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11136e+02   -2.07491e+02   -1.11704e+01    5.31281e-06


DD  step 209194999  vol min/aver 0.665  load imb.: force  3.4%  pme mesh/force 0.644
           Step           Time
      209195000   418390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81296e+03    1.91924e+04    1.30337e+04    1.17638e+03   -3.10594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90713e+03    9.27004e+04    3.99404e+05   -2.34125e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63104e+04   -2.44939e+06    4.80307e+05   -1.96909e+06    2.20327e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.07753e+02   -9.93518e+00    5.28855e-06


DD  step 209199999  vol min/aver 0.654  load imb.: force  5.6%  pme mesh/force 0.653
           Step           Time
      209200000   418400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20776e+03    1.94594e+04    1.30794e+04    1.12953e+03   -3.00860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77623e+03    9.32380e+04    3.99783e+05   -2.34352e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64155e+04   -2.44750e+06    4.80894e+05   -1.96661e+06    2.20333e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11772e+02   -2.08155e+02   -5.70526e-02    5.15155e-06


DD  step 209204999  vol min/aver 0.686  load imb.: force  5.4%  pme mesh/force 0.652
           Step           Time
      209205000   418410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34632e+03    1.90132e+04    1.31078e+04    1.12880e+03   -3.01679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84783e+03    9.25315e+04    3.99174e+05   -2.33789e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63743e+04   -2.44791e+06    4.79783e+05   -1.96813e+06    2.20338e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.07157e+02   -7.02046e+01    5.24880e-06


DD  step 209209999  vol min/aver 0.681  load imb.: force  5.9%  pme mesh/force 0.656
           Step           Time
      209210000   418420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17215e+03    1.95798e+04    1.29457e+04    1.16040e+03   -2.98215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94049e+03    9.31558e+04    4.00731e+05   -2.34248e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65358e+04   -2.44719e+06    4.81170e+05   -1.96602e+06    2.20344e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11951e+02   -2.07970e+02    6.26343e+01    5.28245e-06


DD  step 209214999  vol min/aver 0.703  load imb.: force  6.1%  pme mesh/force 0.646
           Step           Time
      209215000   418430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94184e+03    1.93604e+04    1.30500e+04    1.17556e+03   -3.07604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76884e+03    9.32061e+04    4.01938e+05   -2.34108e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66845e+04   -2.44620e+06    4.79917e+05   -1.96628e+06    2.20350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.07723e+02    7.26840e+01    5.27196e-06


DD  step 209219999  vol min/aver 0.701  load imb.: force  5.3%  pme mesh/force 0.635
           Step           Time
      209220000   418440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22212e+03    1.92298e+04    1.32396e+04    1.22290e+03   -3.01858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68809e+03    9.26956e+04    4.01513e+05   -2.33906e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63617e+04   -2.44754e+06    4.80273e+05   -1.96727e+06    2.20356e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11369e+02   -2.07365e+02   -2.45559e+01    5.26321e-06


DD  step 209224999  vol min/aver 0.707  load imb.: force  4.3%  pme mesh/force 0.637
           Step           Time
      209225000   418450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01705e+03    1.95057e+04    1.31893e+04    1.23007e+03   -3.06481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73547e+03    9.24742e+04    4.00973e+05   -2.33823e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64156e+04   -2.44953e+06    4.80548e+05   -1.96898e+06    2.20362e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11548e+02   -2.07218e+02   -3.40180e+01    5.33852e-06


DD  step 209229999  vol min/aver 0.680  load imb.: force  4.1%  pme mesh/force 0.643
           Step           Time
      209230000   418460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15292e+03    1.91665e+04    1.30453e+04    1.21574e+03   -2.98284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73921e+03    9.24888e+04    4.01655e+05   -2.33780e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66314e+04   -2.44653e+06    4.80316e+05   -1.96621e+06    2.20368e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11398e+02   -2.07142e+02    3.20513e+01    5.40806e-06


DD  step 209234999  vol min/aver 0.701  load imb.: force  4.4%  pme mesh/force 0.647
           Step           Time
      209235000   418470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67060e+03    1.91898e+04    1.32019e+04    1.11995e+03   -3.02451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97277e+03    9.33079e+04    4.00140e+05   -2.34029e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64225e+04   -2.44993e+06    4.78990e+05   -1.97094e+06    2.20373e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.07582e+02   -2.34485e+01    5.36479e-06


DD  step 209239999  vol min/aver 0.685  load imb.: force  3.8%  pme mesh/force 0.645
           Step           Time
      209240000   418480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89692e+03    1.94302e+04    1.31393e+04    1.29242e+03   -3.12690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79539e+03    9.28411e+04    3.99468e+05   -2.33913e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65735e+04   -2.44633e+06    4.81588e+05   -1.96474e+06    2.20379e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12222e+02   -2.07377e+02    3.08407e+01    5.27922e-06


DD  step 209244999  vol min/aver 0.667  load imb.: force  4.2%  pme mesh/force 0.659
           Step           Time
      209245000   418490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96941e+03    1.94146e+04    1.31475e+04    1.16784e+03   -3.11943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73884e+03    9.26976e+04    3.99598e+05   -2.33515e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65873e+04   -2.44721e+06    4.79807e+05   -1.96741e+06    2.20385e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.06673e+02   -5.88898e+01    5.27009e-06


DD  step 209249999  vol min/aver 0.682  load imb.: force  6.2%  pme mesh/force 0.658
           Step           Time
      209250000   418500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00114e+03    1.92406e+04    1.29014e+04    1.15434e+03   -3.03218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76027e+03    9.31545e+04    3.98706e+05   -2.33796e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63250e+04   -2.44912e+06    4.79600e+05   -1.96952e+06    2.20390e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.07171e+02   -1.01594e+02    5.32416e-06


DD  step 209254999  vol min/aver 0.670  load imb.: force  4.6%  pme mesh/force 0.657
           Step           Time
      209255000   418510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96938e+03    1.89290e+04    1.29605e+04    1.15167e+03   -3.07173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93238e+03    9.33408e+04    3.99357e+05   -2.33638e+04   -2.97751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64575e+04   -2.44885e+06    4.81105e+05   -1.96775e+06    2.20396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11909e+02   -2.06890e+02   -1.81617e+01    5.20192e-06


DD  step 209259999  vol min/aver 0.672  load imb.: force  4.5%  pme mesh/force 0.651
           Step           Time
      209260000   418520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97394e+03    1.93638e+04    1.30329e+04    1.24104e+03   -3.07973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85978e+03    9.32380e+04    4.00170e+05   -2.33826e+04   -2.97761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66084e+04   -2.44758e+06    4.78619e+05   -1.96896e+06    2.20402e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10297e+02   -2.07223e+02    1.17233e+01    5.22753e-06


DD  step 209264999  vol min/aver 0.635  load imb.: force  4.7%  pme mesh/force 0.661
           Step           Time
      209265000   418530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12152e+03    1.91239e+04    1.28739e+04    1.26221e+03   -3.08611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90719e+03    9.31488e+04    3.97220e+05   -2.33317e+04   -2.97179e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64872e+04   -2.44506e+06    4.81299e+05   -1.96376e+06    2.20408e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12035e+02   -2.06323e+02   -9.36279e+01    5.44500e-06


DD  step 209269999  vol min/aver 0.625  load imb.: force  5.6%  pme mesh/force 0.642
           Step           Time
      209270000   418540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06449e+03    1.94653e+04    1.31545e+04    1.13819e+03   -3.04157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74656e+03    9.29561e+04    4.01943e+05   -2.33981e+04   -2.97953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65302e+04   -2.44797e+06    4.79324e+05   -1.96864e+06    2.20414e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.07497e+02    4.40975e+01    5.35169e-06


DD  step 209274999  vol min/aver 0.630  load imb.: force  4.1%  pme mesh/force 0.648
           Step           Time
      209275000   418550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88659e+03    1.91210e+04    1.31815e+04    1.21088e+03   -2.96379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86227e+03    9.34654e+04    4.01502e+05   -2.33489e+04   -2.97968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65190e+04   -2.44824e+06    4.78288e+05   -1.96995e+06    2.20420e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10083e+02   -2.06627e+02    7.70544e+00    5.29145e-06


DD  step 209279999  vol min/aver 0.633  load imb.: force  4.2%  pme mesh/force 0.646
           Step           Time
      209280000   418560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97641e+03    1.85472e+04    1.30103e+04    1.11584e+03   -3.08735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86584e+03    9.39317e+04    4.00645e+05   -2.33917e+04   -2.98001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65071e+04   -2.44989e+06    4.78388e+05   -1.97150e+06    2.20425e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10148e+02   -2.07384e+02   -1.72304e+01    5.52395e-06


DD  step 209284999  vol min/aver 0.651  load imb.: force  5.5%  pme mesh/force 0.670
           Step           Time
      209285000   418570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21808e+03    1.95660e+04    1.28759e+04    1.13940e+03   -3.05155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83308e+03    9.30949e+04    3.99304e+05   -2.33161e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65737e+04   -2.44663e+06    4.80300e+05   -1.96633e+06    2.20431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11387e+02   -2.06047e+02   -7.69192e+01    5.09538e-06


DD  step 209289999  vol min/aver 0.641  load imb.: force  4.8%  pme mesh/force 0.649
           Step           Time
      209290000   418580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84796e+03    1.93544e+04    1.32972e+04    1.22492e+03   -3.05586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98172e+03    9.36224e+04    4.01439e+05   -2.33947e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64264e+04   -2.44596e+06    4.79421e+05   -1.96654e+06    2.20437e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.07438e+02    8.11882e+01    5.12444e-06


DD  step 209294999  vol min/aver 0.671  load imb.: force  4.1%  pme mesh/force 0.647
           Step           Time
      209295000   418590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84599e+03    1.91892e+04    1.28560e+04    1.14172e+03   -2.98062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70550e+03    9.40772e+04    3.97132e+05   -2.33444e+04   -2.97302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64131e+04   -2.44599e+06    4.79212e+05   -1.96678e+06    2.20442e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10682e+02   -2.06548e+02   -1.11148e+02    5.11147e-06


DD  step 209299999  vol min/aver 0.659  load imb.: force  6.0%  pme mesh/force 0.644
           Step           Time
      209300000   418600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09721e+03    1.96861e+04    1.29056e+04    1.18596e+03   -3.03486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84647e+03    9.35761e+04    3.97664e+05   -2.33971e+04   -2.97473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66395e+04   -2.44656e+06    4.80603e+05   -1.96595e+06    2.20448e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11583e+02   -2.07479e+02   -5.59194e+01    5.08634e-06


DD  step 209304999  vol min/aver 0.608  load imb.: force  4.3%  pme mesh/force 0.647
           Step           Time
      209305000   418610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90017e+03    1.98200e+04    1.31093e+04    1.20167e+03   -3.14033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78936e+03    9.32204e+04    4.00151e+05   -2.34125e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62720e+04   -2.44966e+06    4.79550e+05   -1.97011e+06    2.20454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.07753e+02    8.32883e+00    5.11578e-06


DD  step 209309999  vol min/aver 0.621  load imb.: force  5.1%  pme mesh/force 0.658
           Step           Time
      209310000   418620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89125e+03    1.90578e+04    1.33193e+04    1.23695e+03   -3.03913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91707e+03    9.30129e+04    4.01552e+05   -2.33916e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63491e+04   -2.44750e+06    4.79460e+05   -1.96804e+06    2.20460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07383e+02    8.20008e+01    5.11292e-06


DD  step 209314999  vol min/aver 0.620  load imb.: force  4.5%  pme mesh/force 0.647
           Step           Time
      209315000   418630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97051e+03    1.94124e+04    1.29295e+04    1.22513e+03   -3.05895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78489e+03    9.38404e+04    3.99757e+05   -2.33471e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64705e+04   -2.44930e+06    4.79209e+05   -1.97010e+06    2.20466e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10680e+02   -2.06595e+02   -7.62900e+01    5.17815e-06


DD  step 209319999  vol min/aver 0.656  load imb.: force  4.7%  pme mesh/force 0.664
           Step           Time
      209320000   418640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09035e+03    1.93672e+04    1.31277e+04    1.22078e+03   -3.06486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75875e+03    9.29232e+04    4.04639e+05   -2.33538e+04   -2.98116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64711e+04   -2.44698e+06    4.80210e+05   -1.96677e+06    2.20471e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.06714e+02    8.94243e+01    5.24435e-06


DD  step 209324999  vol min/aver 0.630  load imb.: force  8.0%  pme mesh/force 0.689
           Step           Time
      209325000   418650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79590e+03    1.92003e+04    1.29678e+04    1.19267e+03   -3.08488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86862e+03    9.33371e+04    4.00907e+05   -2.33966e+04   -2.97961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63949e+04   -2.44942e+06    4.77077e+05   -1.97234e+06    2.20477e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09298e+02   -2.07470e+02    3.65610e+01    5.10368e-06


DD  step 209329999  vol min/aver 0.619  load imb.: force  4.5%  pme mesh/force 0.657
           Step           Time
      209330000   418660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93245e+03    1.93963e+04    1.30607e+04    1.19905e+03   -3.01164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85789e+03    9.37979e+04    3.98978e+05   -2.33954e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64822e+04   -2.44795e+06    4.79324e+05   -1.96863e+06    2.20483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10754e+02   -2.07449e+02   -5.16136e+01    5.13512e-06


DD  step 209334999  vol min/aver 0.597  load imb.: force  4.0%  pme mesh/force 0.660
           Step           Time
      209335000   418670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83811e+03    1.91311e+04    1.32795e+04    1.25631e+03   -3.10358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92354e+03    9.36529e+04    4.01786e+05   -2.33961e+04   -2.98127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63919e+04   -2.44951e+06    4.78912e+05   -1.97059e+06    2.20489e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10487e+02   -2.07462e+02    5.53914e+01    5.11392e-06


DD  step 209339999  vol min/aver 0.650  load imb.: force  4.4%  pme mesh/force 0.661
           Step           Time
      209340000   418680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20908e+03    1.92205e+04    1.31622e+04    1.22074e+03   -3.03676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90369e+03    9.33127e+04    4.00520e+05   -2.34458e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64610e+04   -2.44581e+06    4.79128e+05   -1.96668e+06    2.20495e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10627e+02   -2.08344e+02    4.41828e+01    5.10223e-06


DD  step 209344999  vol min/aver 0.638  load imb.: force  4.0%  pme mesh/force 0.649
           Step           Time
      209345000   418690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78668e+03    1.92072e+04    1.29545e+04    1.19211e+03   -2.98011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82670e+03    9.31748e+04    3.99376e+05   -2.34080e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64437e+04   -2.44652e+06    4.78319e+05   -1.96820e+06    2.20500e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10103e+02   -2.07672e+02   -1.06412e+00    5.20033e-06


DD  step 209349999  vol min/aver 0.621  load imb.: force  5.2%  pme mesh/force 0.642
           Step           Time
      209350000   418700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93962e+03    1.95532e+04    1.29408e+04    1.11864e+03   -3.11018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74127e+03    9.30764e+04    4.01101e+05   -2.34149e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65764e+04   -2.44903e+06    4.79006e+05   -1.97002e+06    2.20506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10548e+02   -2.07796e+02    1.05449e+01    5.10280e-06


DD  step 209354999  vol min/aver 0.631  load imb.: force  5.1%  pme mesh/force 0.660
           Step           Time
      209355000   418710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89665e+03    1.93508e+04    1.28632e+04    1.06284e+03   -3.03212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94594e+03    9.33761e+04    3.98956e+05   -2.33592e+04   -2.97306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64934e+04   -2.44451e+06    4.78943e+05   -1.96557e+06    2.20512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10507e+02   -2.06809e+02   -1.51215e+00    5.26889e-06


DD  step 209359999  vol min/aver 0.619  load imb.: force  4.2%  pme mesh/force 0.647
           Step           Time
      209360000   418720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89522e+03    1.94480e+04    1.30322e+04    1.18937e+03   -3.06244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78208e+03    9.34458e+04    4.02511e+05   -2.33621e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64778e+04   -2.44725e+06    4.80402e+05   -1.96685e+06    2.20517e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.06860e+02    4.71183e+01    5.15026e-06


DD  step 209364999  vol min/aver 0.649  load imb.: force  6.1%  pme mesh/force 0.654
           Step           Time
      209365000   418730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08850e+03    1.90581e+04    1.31505e+04    1.09441e+03   -3.05471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74380e+03    9.33634e+04    3.99019e+05   -2.33675e+04   -2.97531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63995e+04   -2.44682e+06    4.80054e+05   -1.96676e+06    2.20523e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.06956e+02   -4.48823e+01    5.04408e-06


DD  step 209369999  vol min/aver 0.644  load imb.: force  3.7%  pme mesh/force 0.639
           Step           Time
      209370000   418740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08131e+03    1.91009e+04    1.30929e+04    1.17450e+03   -3.09495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80360e+03    9.36990e+04    4.00218e+05   -2.33606e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65992e+04   -2.44639e+06    4.80370e+05   -1.96602e+06    2.20529e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.06833e+02    5.82289e+00    5.27826e-06


DD  step 209374999  vol min/aver 0.686  load imb.: force  4.9%  pme mesh/force 0.646
           Step           Time
      209375000   418750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25902e+03    1.93358e+04    1.30642e+04    1.12281e+03   -3.12021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78888e+03    9.33224e+04    4.00758e+05   -2.33587e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65207e+04   -2.44514e+06    4.79782e+05   -1.96536e+06    2.20535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.06800e+02    1.86409e+01    5.11884e-06

Writing checkpoint, step 209379650 at Tue Nov  7 12:01:28 2023



DD  step 209379999  vol min/aver 0.664  load imb.: force  4.5%  pme mesh/force 0.654
           Step           Time
      209380000   418760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15190e+03    1.93207e+04    1.32026e+04    1.17573e+03   -3.12913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70807e+03    9.35251e+04    3.99828e+05   -2.33799e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.44890e+06    4.80357e+05   -1.96854e+06    2.20541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11424e+02   -2.07175e+02   -5.46555e+01    5.31351e-06


step 209380200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 25 min 891 max 1063

DD  step 209384999 load imb.: force 15.9%  pme mesh/force 0.695
           Step           Time
      209385000   418770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81102e+03    1.93745e+04    1.29475e+04    1.17722e+03   -3.14053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78711e+03    9.40599e+04    3.99546e+05   -2.34208e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62253e+04   -2.44906e+06    4.79578e+05   -1.96948e+06    2.20546e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.07900e+02   -5.84526e+00    5.17821e-06


step 209385200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.1 %.

DD  step 209389999  vol min/aver 0.680  load imb.: force  4.7%  pme mesh/force 0.642
           Step           Time
      209390000   418780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72455e+03    1.90866e+04    1.32075e+04    1.15128e+03   -3.05196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82905e+03    9.35575e+04    3.98062e+05   -2.33825e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64180e+04   -2.44648e+06    4.79944e+05   -1.96654e+06    2.20552e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11156e+02   -2.07222e+02   -1.40528e+01    5.11587e-06


DD  step 209394999  vol min/aver 0.658  load imb.: force  5.7%  pme mesh/force 0.638
           Step           Time
      209395000   418790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96070e+03    1.95321e+04    1.31035e+04    1.13622e+03   -3.11383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83776e+03    9.33507e+04    4.00543e+05   -2.33629e+04   -2.97525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62593e+04   -2.44500e+06    4.77361e+05   -1.96764e+06    2.20558e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09482e+02   -2.06874e+02    2.45346e+01    5.19280e-06


DD  step 209399999  vol min/aver 0.678  load imb.: force  7.6%  pme mesh/force 0.654
           Step           Time
      209400000   418800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.42792e+03    1.93952e+04    1.30598e+04    1.22562e+03   -3.03979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89307e+03    9.33279e+04    4.00553e+05   -2.33860e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64687e+04   -2.44566e+06    4.80090e+05   -1.96557e+06    2.20564e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11251e+02   -2.07283e+02   -2.53078e+01    5.08559e-06


DD  step 209404999  vol min/aver 0.644  load imb.: force  5.5%  pme mesh/force 0.634
           Step           Time
      209405000   418810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22318e+03    1.93020e+04    1.30962e+04    1.22507e+03   -3.03500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93810e+03    9.41304e+04    3.99202e+05   -2.33751e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66873e+04   -2.44742e+06    4.82592e+05   -1.96483e+06    2.20570e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12873e+02   -2.07090e+02   -6.11480e+01    5.13826e-06


DD  step 209409999  vol min/aver 0.680  load imb.: force  4.5%  pme mesh/force 0.636
           Step           Time
      209410000   418820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01743e+03    1.96100e+04    1.29987e+04    1.27304e+03   -2.98501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79304e+03    9.35210e+04    4.02065e+05   -2.34014e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63083e+04   -2.44632e+06    4.81252e+05   -1.96507e+06    2.20575e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12005e+02   -2.07557e+02    7.32095e+01    5.19576e-06


DD  step 209414999  vol min/aver 0.658  load imb.: force  4.6%  pme mesh/force 0.654
           Step           Time
      209415000   418830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12105e+03    1.95035e+04    1.31833e+04    1.22280e+03   -3.00836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78324e+03    9.30262e+04    4.01636e+05   -2.33893e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65370e+04   -2.44623e+06    4.79209e+05   -1.96703e+06    2.20582e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10680e+02   -2.07341e+02    4.74374e+01    5.21475e-06


DD  step 209419999  vol min/aver 0.677  load imb.: force  5.3%  pme mesh/force 0.656
           Step           Time
      209420000   418840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94314e+03    1.98090e+04    1.30221e+04    1.26327e+03   -3.09228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93237e+03    9.35730e+04    4.01031e+05   -2.34019e+04   -2.97799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65289e+04   -2.44638e+06    4.80949e+05   -1.96543e+06    2.20588e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11808e+02   -2.07564e+02    3.90364e+01    5.39449e-06


DD  step 209424999  vol min/aver 0.654  load imb.: force  5.4%  pme mesh/force 0.648
           Step           Time
      209425000   418850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08564e+03    1.93152e+04    1.30938e+04    1.12775e+03   -3.05121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76531e+03    9.37395e+04    3.99844e+05   -2.33914e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62892e+04   -2.44729e+06    4.78552e+05   -1.96874e+06    2.20594e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.07379e+02   -1.01263e+01    5.30731e-06


DD  step 209429999  vol min/aver 0.687  load imb.: force  5.1%  pme mesh/force 0.655
           Step           Time
      209430000   418860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01178e+03    1.94089e+04    1.31506e+04    1.17980e+03   -3.04227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81665e+03    9.33087e+04    4.00432e+05   -2.33523e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65091e+04   -2.44538e+06    4.80488e+05   -1.96490e+06    2.20599e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11509e+02   -2.06686e+02    1.44188e+01    5.14932e-06


DD  step 209434999  vol min/aver 0.657  load imb.: force  5.1%  pme mesh/force 0.659
           Step           Time
      209435000   418870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26199e+03    1.92297e+04    1.30286e+04    1.27807e+03   -3.04696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78229e+03    9.31856e+04    4.00447e+05   -2.33242e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64586e+04   -2.44549e+06    4.79519e+05   -1.96598e+06    2.20605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10880e+02   -2.06191e+02   -5.45733e+01    5.23725e-06


DD  step 209439999  vol min/aver 0.688  load imb.: force  4.1%  pme mesh/force 0.651
           Step           Time
      209440000   418880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06651e+03    1.95127e+04    1.32132e+04    1.17333e+03   -3.05211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80190e+03    9.31343e+04    4.02728e+05   -2.33945e+04   -2.98101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65554e+04   -2.44827e+06    4.80866e+05   -1.96741e+06    2.20611e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11754e+02   -2.07434e+02    4.09714e+01    5.00905e-06


DD  step 209444999  vol min/aver 0.667  load imb.: force  4.7%  pme mesh/force 0.652
           Step           Time
      209445000   418890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97334e+03    1.96521e+04    1.31932e+04    1.19506e+03   -2.99598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75244e+03    9.32613e+04    4.00917e+05   -2.33597e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64749e+04   -2.44604e+06    4.78714e+05   -1.96733e+06    2.20617e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10359e+02   -2.06818e+02    2.48511e+00    5.20384e-06


DD  step 209449999  vol min/aver 0.701  load imb.: force  4.9%  pme mesh/force 0.662
           Step           Time
      209450000   418900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02711e+03    1.91616e+04    1.30729e+04    1.18582e+03   -3.04850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91384e+03    9.34328e+04    4.02775e+05   -2.33923e+04   -2.98160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61929e+04   -2.44928e+06    4.80153e+05   -1.96913e+06    2.20622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.07395e+02    4.88229e+01    5.34220e-06


DD  step 209454999  vol min/aver 0.675  load imb.: force  4.7%  pme mesh/force 0.634
           Step           Time
      209455000   418910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90614e+03    1.93529e+04    1.30161e+04    1.22318e+03   -3.10692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71791e+03    9.35221e+04    4.05294e+05   -2.34210e+04   -2.98332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64641e+04   -2.44836e+06    4.77859e+05   -1.97050e+06    2.20628e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09805e+02   -2.07903e+02    1.29191e+02    5.16418e-06


DD  step 209459999  vol min/aver 0.672  load imb.: force  4.9%  pme mesh/force 0.636
           Step           Time
      209460000   418920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72921e+03    1.92575e+04    1.32150e+04    1.17620e+03   -3.04058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92668e+03    9.35626e+04    3.99583e+05   -2.33689e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64073e+04   -2.44711e+06    4.77912e+05   -1.96919e+06    2.20634e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09839e+02   -2.06980e+02   -5.68665e-01    5.12809e-06


DD  step 209464999  vol min/aver 0.627  load imb.: force  4.6%  pme mesh/force 0.648
           Step           Time
      209465000   418930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11582e+03    1.94742e+04    1.30204e+04    1.19283e+03   -3.08076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89370e+03    9.27952e+04    3.99812e+05   -2.33636e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65521e+04   -2.44703e+06    4.79358e+05   -1.96767e+06    2.20640e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10776e+02   -2.06886e+02   -6.98619e+00    5.47802e-06


DD  step 209469999  vol min/aver 0.696  load imb.: force  4.9%  pme mesh/force 0.654
           Step           Time
      209470000   418940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98604e+03    1.90810e+04    1.31697e+04    1.13136e+03   -3.05678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71987e+03    9.29784e+04    3.97740e+05   -2.33897e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67289e+04   -2.44961e+06    4.78302e+05   -1.97131e+06    2.20645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10092e+02   -2.07349e+02   -1.27265e+02    5.23156e-06


DD  step 209474999  vol min/aver 0.648  load imb.: force  4.3%  pme mesh/force 0.646
           Step           Time
      209475000   418950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95999e+03    1.91866e+04    1.29764e+04    1.20048e+03   -3.07568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87757e+03    9.29959e+04    4.00927e+05   -2.33755e+04   -2.97905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66204e+04   -2.44875e+06    4.80659e+05   -1.96810e+06    2.20651e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.07097e+02    1.58244e+01    5.25215e-06


DD  step 209479999  vol min/aver 0.669  load imb.: force  5.2%  pme mesh/force 0.672
           Step           Time
      209480000   418960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03261e+03    1.97447e+04    1.30748e+04    1.22771e+03   -2.94770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91420e+03    9.29957e+04    4.01883e+05   -2.34215e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67230e+04   -2.44391e+06    4.79203e+05   -1.96470e+06    2.20658e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10676e+02   -2.07913e+02    7.08717e+01    5.31851e-06


DD  step 209484999  vol min/aver 0.657  load imb.: force  4.6%  pme mesh/force 0.645
           Step           Time
      209485000   418970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92994e+03    1.90409e+04    1.33062e+04    1.18059e+03   -3.01961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90111e+03    9.26661e+04    4.00492e+05   -2.34258e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62902e+04   -2.45115e+06    4.79320e+05   -1.97183e+06    2.20662e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10752e+02   -2.07989e+02   -1.65263e+01    5.15529e-06


DD  step 209489999  vol min/aver 0.669  load imb.: force  4.9%  pme mesh/force 0.653
           Step           Time
      209490000   418980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20392e+03    1.98386e+04    1.30975e+04    1.16640e+03   -3.08288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76096e+03    9.23928e+04    3.97364e+05   -2.33331e+04   -2.97144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64998e+04   -2.44453e+06    4.81358e+05   -1.96317e+06    2.20669e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12073e+02   -2.06348e+02   -1.03952e+02    5.33351e-06


DD  step 209494999  vol min/aver 0.618  load imb.: force  4.8%  pme mesh/force 0.658
           Step           Time
      209495000   418990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12218e+03    1.93961e+04    1.31797e+04    1.18226e+03   -3.00425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86932e+03    9.32713e+04    4.01614e+05   -2.33672e+04   -2.97731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67200e+04   -2.44533e+06    4.79625e+05   -1.96571e+06    2.20675e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10949e+02   -2.06950e+02    3.30393e+01    5.19091e-06


DD  step 209499999  vol min/aver 0.611  load imb.: force  5.5%  pme mesh/force 0.656
           Step           Time
      209500000   419000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90228e+03    1.95542e+04    1.30854e+04    1.14103e+03   -3.02718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82034e+03    9.28851e+04    4.01834e+05   -2.34039e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66146e+04   -2.44485e+06    4.82765e+05   -1.96208e+06    2.20680e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12985e+02   -2.07601e+02    9.02832e+01    5.04267e-06


DD  step 209504999  vol min/aver 0.592  load imb.: force  4.9%  pme mesh/force 0.643
           Step           Time
      209505000   419010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73934e+03    1.89799e+04    1.33084e+04    1.16602e+03   -3.01129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99850e+03    9.32963e+04    4.00528e+05   -2.34204e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66996e+04   -2.44834e+06    4.80461e+05   -1.96788e+06    2.20687e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11492e+02   -2.07892e+02    6.75102e+01    5.17663e-06


DD  step 209509999  vol min/aver 0.657  load imb.: force  4.7%  pme mesh/force 0.645
           Step           Time
      209510000   419020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84369e+03    1.92575e+04    1.31069e+04    1.25807e+03   -2.94931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90930e+03    9.27747e+04    3.99134e+05   -2.34082e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63919e+04   -2.44614e+06    4.79765e+05   -1.96638e+06    2.20692e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11040e+02   -2.07676e+02   -1.48109e+01    5.09250e-06


DD  step 209514999  vol min/aver 0.631  load imb.: force  4.1%  pme mesh/force 0.657
           Step           Time
      209515000   419030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08988e+03    1.93444e+04    1.29826e+04    1.20161e+03   -2.95383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74865e+03    9.29250e+04    4.01558e+05   -2.33583e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65567e+04   -2.44761e+06    4.79617e+05   -1.96799e+06    2.20698e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.06794e+02   -2.07310e+01    5.23013e-06


DD  step 209519999  vol min/aver 0.585  load imb.: force  5.0%  pme mesh/force 0.648
           Step           Time
      209520000   419040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80918e+03    1.92388e+04    1.30042e+04    1.14641e+03   -2.99124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78585e+03    9.32885e+04    4.01742e+05   -2.33972e+04   -2.98041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63886e+04   -2.44939e+06    4.79638e+05   -1.96976e+06    2.20704e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10958e+02   -2.07482e+02    8.05585e+00    5.09110e-06


DD  step 209524999  vol min/aver 0.662  load imb.: force  5.7%  pme mesh/force 0.646
           Step           Time
      209525000   419050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68014e+03    1.93963e+04    1.32933e+04    1.24384e+03   -3.04556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85035e+03    9.29457e+04    3.97722e+05   -2.34125e+04   -2.97187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64919e+04   -2.44470e+06    4.79374e+05   -1.96533e+06    2.20709e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.07753e+02    2.17047e+01    5.16539e-06


DD  step 209529999  vol min/aver 0.667  load imb.: force  6.6%  pme mesh/force 0.664
           Step           Time
      209530000   419060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.41393e+03    1.95351e+04    1.29649e+04    1.22140e+03   -3.00833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80758e+03    9.27485e+04    4.02148e+05   -2.33578e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65565e+04   -2.44629e+06    4.78734e+05   -1.96756e+06    2.20716e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.06784e+02   -2.75151e+01    5.04949e-06


DD  step 209534999  vol min/aver 0.627  load imb.: force  4.3%  pme mesh/force 0.650
           Step           Time
      209535000   419070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01363e+03    1.92989e+04    1.29942e+04    1.22699e+03   -3.07121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79434e+03    9.35195e+04    3.99870e+05   -2.33921e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64206e+04   -2.44854e+06    4.79217e+05   -1.96932e+06    2.20721e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10685e+02   -2.07392e+02   -1.02235e+01    5.09067e-06


DD  step 209539999  vol min/aver 0.644  load imb.: force  6.3%  pme mesh/force 0.658
           Step           Time
      209540000   419080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02897e+03    1.94116e+04    1.31755e+04    1.21302e+03   -2.98973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90170e+03    9.32828e+04    3.99612e+05   -2.34318e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64805e+04   -2.44584e+06    4.81100e+05   -1.96474e+06    2.20727e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11906e+02   -2.08095e+02   -4.05154e+00    5.14463e-06


DD  step 209544999  vol min/aver 0.642  load imb.: force  5.9%  pme mesh/force 0.656
           Step           Time
      209545000   419090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93567e+03    1.90902e+04    1.31877e+04    1.20034e+03   -3.01596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84408e+03    9.32636e+04    4.01620e+05   -2.33807e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64972e+04   -2.44604e+06    4.80114e+05   -1.96592e+06    2.20733e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11266e+02   -2.07188e+02   -1.52337e+01    5.12559e-06


DD  step 209549999  vol min/aver 0.656  load imb.: force  4.0%  pme mesh/force 0.650
           Step           Time
      209550000   419100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95316e+03    1.90276e+04    1.31520e+04    1.14217e+03   -2.99895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89121e+03    9.26703e+04    4.02639e+05   -2.33874e+04   -2.98294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63660e+04   -2.45148e+06    4.77246e+05   -1.97423e+06    2.20739e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09407e+02   -2.07308e+02    3.84016e+01    4.91643e-06


DD  step 209554999  vol min/aver 0.641  load imb.: force  4.0%  pme mesh/force 0.642
           Step           Time
      209555000   419110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22123e+03    1.93161e+04    1.29774e+04    1.12037e+03   -3.08761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88831e+03    9.29147e+04    3.98948e+05   -2.33619e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64242e+04   -2.44737e+06    4.77406e+05   -1.96997e+06    2.20744e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09511e+02   -2.06857e+02   -7.64697e+01    5.23079e-06


DD  step 209559999  vol min/aver 0.654  load imb.: force  4.1%  pme mesh/force 0.644
           Step           Time
      209560000   419120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98999e+03    1.95027e+04    1.30907e+04    1.17143e+03   -3.02805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75711e+03    9.29955e+04    4.02770e+05   -2.33757e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67329e+04   -2.44673e+06    4.80290e+05   -1.96644e+06    2.20750e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11381e+02   -2.07101e+02    9.42287e+01    5.07481e-06


DD  step 209564999  vol min/aver 0.649  load imb.: force  4.5%  pme mesh/force 0.650
           Step           Time
      209565000   419130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95680e+03    1.91490e+04    1.32691e+04    1.22997e+03   -3.06717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90837e+03    9.29202e+04    3.99252e+05   -2.33524e+04   -2.97425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65915e+04   -2.44539e+06    4.78482e+05   -1.96691e+06    2.20756e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10208e+02   -2.06689e+02   -4.57898e+01    5.21548e-06


DD  step 209569999  vol min/aver 0.659  load imb.: force  4.6%  pme mesh/force 0.647
           Step           Time
      209570000   419140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88260e+03    1.97002e+04    1.30613e+04    1.18179e+03   -3.09113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92801e+03    9.30854e+04    4.00908e+05   -2.33761e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65184e+04   -2.44612e+06    4.80194e+05   -1.96593e+06    2.20761e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11318e+02   -2.07108e+02    3.62081e+01    5.17273e-06


DD  step 209574999  vol min/aver 0.671  load imb.: force  3.9%  pme mesh/force 0.645
           Step           Time
      209575000   419150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78469e+03    1.89970e+04    1.29695e+04    1.22356e+03   -3.12727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77072e+03    9.32390e+04    3.99234e+05   -2.34057e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62949e+04   -2.45144e+06    4.79726e+05   -1.97172e+06    2.20766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11015e+02   -2.07632e+02   -6.13421e+01    5.04141e-06


DD  step 209579999  vol min/aver 0.674  load imb.: force  5.2%  pme mesh/force 0.651
           Step           Time
      209580000   419160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08257e+03    1.95036e+04    1.32166e+04    1.15112e+03   -3.04570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79472e+03    9.28157e+04    3.98070e+05   -2.33532e+04   -2.97349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67041e+04   -2.44555e+06    4.81692e+05   -1.96386e+06    2.20772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12290e+02   -2.06704e+02   -6.73133e+01    5.22209e-06


DD  step 209584999  vol min/aver 0.679  load imb.: force  4.1%  pme mesh/force 0.657
           Step           Time
      209585000   419170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19928e+03    1.94197e+04    1.31030e+04    1.16730e+03   -3.02759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85483e+03    9.28232e+04    3.98162e+05   -2.33730e+04   -2.97151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61802e+04   -2.44400e+06    4.79750e+05   -1.96425e+06    2.20778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.07053e+02   -6.84040e+01    5.32953e-06


DD  step 209589999  vol min/aver 0.624  load imb.: force  4.1%  pme mesh/force 0.640
           Step           Time
      209590000   419180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28005e+03    1.90651e+04    1.31226e+04    1.19436e+03   -3.18123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82291e+03    9.34305e+04    4.01193e+05   -2.33722e+04   -2.98052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63911e+04   -2.44958e+06    4.81601e+05   -1.96798e+06    2.20784e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12231e+02   -2.07038e+02   -2.14605e+01    5.15546e-06


DD  step 209594999  vol min/aver 0.646  load imb.: force  4.6%  pme mesh/force 0.652
           Step           Time
      209595000   419190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96356e+03    1.94311e+04    1.29289e+04    1.18833e+03   -3.05393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88746e+03    9.33531e+04    4.03066e+05   -2.33709e+04   -2.98007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64962e+04   -2.44718e+06    4.79854e+05   -1.96733e+06    2.20790e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11098e+02   -2.07016e+02    9.07731e+01    5.18035e-06


DD  step 209599999  vol min/aver 0.727  load imb.: force  6.3%  pme mesh/force 0.676
           Step           Time
      209600000   419200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07883e+03    1.94690e+04    1.29800e+04    1.17581e+03   -3.07719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86750e+03    9.26814e+04    3.97482e+05   -2.34266e+04   -2.97343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64313e+04   -2.44677e+06    4.79260e+05   -1.96751e+06    2.20796e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.08003e+02   -1.31312e+01    4.90858e-06


DD  step 209604999  vol min/aver 0.682  load imb.: force  4.7%  pme mesh/force 0.646
           Step           Time
      209605000   419210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03465e+03    1.95642e+04    1.31100e+04    1.10015e+03   -3.08517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82500e+03    9.29214e+04    4.00286e+05   -2.33309e+04   -2.97628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66450e+04   -2.44620e+06    4.79994e+05   -1.96621e+06    2.20802e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11188e+02   -2.06309e+02   -5.12242e+00    5.01878e-06


DD  step 209609999  vol min/aver 0.679  load imb.: force  4.5%  pme mesh/force 0.641
           Step           Time
      209610000   419220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97394e+03    1.93425e+04    1.30539e+04    1.21185e+03   -2.96123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84661e+03    9.34785e+04    3.96575e+05   -2.32924e+04   -2.97103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66528e+04   -2.44415e+06    4.80412e+05   -1.96374e+06    2.20808e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11459e+02   -2.05630e+02   -1.51812e+02    5.37893e-06


DD  step 209614999  vol min/aver 0.706  load imb.: force  4.4%  pme mesh/force 0.644
           Step           Time
      209615000   419230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14386e+03    1.98628e+04    1.31966e+04    1.14462e+03   -3.06562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96540e+03    9.28601e+04    4.00591e+05   -2.33522e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62094e+04   -2.44591e+06    4.82813e+05   -1.96310e+06    2.20814e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13016e+02   -2.06685e+02   -3.65500e+01    5.09506e-06


DD  step 209619999  vol min/aver 0.675  load imb.: force  4.6%  pme mesh/force 0.616
           Step           Time
      209620000   419240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71343e+03    1.92403e+04    1.31448e+04    1.20637e+03   -3.06355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83673e+03    9.35701e+04    3.97179e+05   -2.33931e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65942e+04   -2.44667e+06    4.79353e+05   -1.96732e+06    2.20819e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.07410e+02   -5.13202e+01    5.13887e-06


DD  step 209624999  vol min/aver 0.641  load imb.: force  4.4%  pme mesh/force 0.638
           Step           Time
      209625000   419250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07212e+03    2.00666e+04    1.28046e+04    1.17576e+03   -3.01282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75321e+03    9.29703e+04    4.00512e+05   -2.33719e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67517e+04   -2.44543e+06    4.80386e+05   -1.96504e+06    2.20825e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11443e+02   -2.07033e+02    1.32561e+01    5.05906e-06


DD  step 209629999  vol min/aver 0.710  load imb.: force  4.2%  pme mesh/force 0.642
           Step           Time
      209630000   419260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88378e+03    1.94372e+04    1.29067e+04    1.19838e+03   -2.96579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95142e+03    9.35494e+04    4.00902e+05   -2.33777e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65188e+04   -2.44805e+06    4.80022e+05   -1.96803e+06    2.20831e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.07136e+02    5.63704e+01    5.02677e-06


DD  step 209634999  vol min/aver 0.672  load imb.: force  4.3%  pme mesh/force 0.636
           Step           Time
      209635000   419270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87206e+03    1.92304e+04    1.29661e+04    1.11509e+03   -2.95431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00808e+03    9.32856e+04    3.98978e+05   -2.34090e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63918e+04   -2.44717e+06    4.78924e+05   -1.96824e+06    2.20837e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10495e+02   -2.07690e+02    1.11580e+01    5.15659e-06


DD  step 209639999  vol min/aver 0.698  load imb.: force  5.5%  pme mesh/force 0.668
           Step           Time
      209640000   419280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83193e+03    1.95990e+04    1.27671e+04    1.27188e+03   -2.92562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78815e+03    9.34362e+04    4.01364e+05   -2.34029e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67239e+04   -2.44719e+06    4.79297e+05   -1.96789e+06    2.20843e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.07582e+02    5.68222e+01    5.24963e-06


DD  step 209644999  vol min/aver 0.708  load imb.: force  4.2%  pme mesh/force 0.657
           Step           Time
      209645000   419290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00808e+03    1.96428e+04    1.31092e+04    1.13200e+03   -2.99299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97346e+03    9.30719e+04    3.97787e+05   -2.33954e+04   -2.97382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65296e+04   -2.44596e+06    4.81584e+05   -1.96437e+06    2.20849e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12220e+02   -2.07449e+02   -7.78392e+00    5.09006e-06


DD  step 209649999  vol min/aver 0.680  load imb.: force  5.2%  pme mesh/force 0.664
           Step           Time
      209650000   419300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82471e+03    1.89083e+04    1.31904e+04    1.23834e+03   -3.26625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80439e+03    9.34550e+04    4.01571e+05   -2.34017e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65838e+04   -2.44960e+06    4.78585e+05   -1.97102e+06    2.20854e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10275e+02   -2.07561e+02   -2.58991e+01    5.12810e-06


DD  step 209654999  vol min/aver 0.654  load imb.: force  4.8%  pme mesh/force 0.647
           Step           Time
      209655000   419310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16480e+03    1.95330e+04    1.30726e+04    1.20578e+03   -2.94919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77716e+03    9.31398e+04    4.01010e+05   -2.33714e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66422e+04   -2.44478e+06    4.79119e+05   -1.96566e+06    2.20860e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10621e+02   -2.07024e+02    2.88285e+01    5.27389e-06


DD  step 209659999  vol min/aver 0.720  load imb.: force  5.5%  pme mesh/force 0.652
           Step           Time
      209660000   419320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99864e+03    1.92871e+04    1.29803e+04    1.08863e+03   -2.97404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72852e+03    9.33987e+04    4.03024e+05   -2.33916e+04   -2.98312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64903e+04   -2.45049e+06    4.79782e+05   -1.97071e+06    2.20866e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.07381e+02    4.85323e+01    5.01363e-06


DD  step 209664999  vol min/aver 0.667  load imb.: force  4.5%  pme mesh/force 0.651
           Step           Time
      209665000   419330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89132e+03    1.90966e+04    1.31009e+04    1.23799e+03   -3.07109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88514e+03    9.38336e+04    3.98962e+05   -2.34045e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63172e+04   -2.44798e+06    4.77941e+05   -1.97004e+06    2.20871e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09858e+02   -2.07611e+02   -6.48143e+01    5.12131e-06


DD  step 209669999  vol min/aver 0.687  load imb.: force  4.6%  pme mesh/force 0.651
           Step           Time
      209670000   419340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89406e+03    1.93603e+04    1.31043e+04    1.23416e+03   -3.03719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67086e+03    9.33302e+04    4.00390e+05   -2.33750e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67378e+04   -2.44595e+06    4.79613e+05   -1.96634e+06    2.20877e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.07088e+02    1.29158e+01    5.11537e-06


DD  step 209674999  vol min/aver 0.732  load imb.: force  3.8%  pme mesh/force 0.653
           Step           Time
      209675000   419350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21000e+03    1.93630e+04    1.31568e+04    1.28414e+03   -3.11035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78853e+03    9.33363e+04    4.00537e+05   -2.33583e+04   -2.97495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64887e+04   -2.44425e+06    4.82791e+05   -1.96146e+06    2.20883e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13002e+02   -2.06794e+02   -2.62474e+01    5.12452e-06


DD  step 209679999  vol min/aver 0.718  load imb.: force  4.8%  pme mesh/force 0.651
           Step           Time
      209680000   419360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00576e+03    1.94301e+04    1.29803e+04    1.19082e+03   -3.03823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00950e+03    9.29671e+04    4.01335e+05   -2.33756e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64693e+04   -2.44709e+06    4.79712e+05   -1.96738e+06    2.20889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11006e+02   -2.07100e+02    1.27466e+01    5.14059e-06


DD  step 209684999  vol min/aver 0.661  load imb.: force  4.4%  pme mesh/force 0.656
           Step           Time
      209685000   419370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11212e+03    1.96511e+04    1.31882e+04    1.12804e+03   -3.01827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75513e+03    9.28263e+04    3.99986e+05   -2.34173e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63887e+04   -2.44816e+06    4.79452e+05   -1.96871e+06    2.20895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.07837e+02    4.38623e+00    5.20173e-06


DD  step 209689999  vol min/aver 0.677  load imb.: force  6.8%  pme mesh/force 0.666
           Step           Time
      209690000   419380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05817e+03    1.89032e+04    1.31876e+04    1.27551e+03   -2.98344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89234e+03    9.27970e+04    4.02222e+05   -2.34244e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65200e+04   -2.44756e+06    4.78501e+05   -1.96906e+06    2.20901e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.07964e+02    7.10862e+01    5.10918e-06


DD  step 209694999  vol min/aver 0.685  load imb.: force  5.8%  pme mesh/force 0.659
           Step           Time
      209695000   419390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10303e+03    1.94416e+04    1.31221e+04    1.14875e+03   -3.19766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94729e+03    9.29643e+04    3.96676e+05   -2.33509e+04   -2.97026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65486e+04   -2.44386e+06    4.80178e+05   -1.96368e+06    2.20906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11308e+02   -2.06663e+02   -1.34057e+02    5.22463e-06


DD  step 209699999  vol min/aver 0.688  load imb.: force  5.2%  pme mesh/force 0.652
           Step           Time
      209700000   419400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04162e+03    1.94725e+04    1.30777e+04    1.16103e+03   -3.04025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78356e+03    9.29667e+04    4.02003e+05   -2.34034e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62252e+04   -2.44546e+06    4.79472e+05   -1.96599e+06    2.20912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10850e+02   -2.07590e+02    3.85841e+01    5.11619e-06


DD  step 209704999  vol min/aver 0.660  load imb.: force  4.1%  pme mesh/force 0.644
           Step           Time
      209705000   419410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97666e+03    1.93386e+04    1.31194e+04    1.18507e+03   -3.15964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89499e+03    9.25765e+04    4.00457e+05   -2.34083e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64623e+04   -2.44758e+06    4.79488e+05   -1.96809e+06    2.20917e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10861e+02   -2.07678e+02    2.23957e+01    5.07741e-06


DD  step 209709999  vol min/aver 0.657  load imb.: force  4.2%  pme mesh/force 0.641
           Step           Time
      209710000   419420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93136e+03    1.95964e+04    1.30148e+04    1.18846e+03   -3.00630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92771e+03    9.27952e+04    4.00452e+05   -2.34087e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65301e+04   -2.44748e+06    4.78933e+05   -1.96855e+06    2.20924e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10501e+02   -2.07685e+02    4.86130e-01    5.13061e-06


DD  step 209714999  vol min/aver 0.674  load imb.: force  4.3%  pme mesh/force 0.660
           Step           Time
      209715000   419430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13604e+03    1.93085e+04    1.32294e+04    1.25112e+03   -3.12261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86217e+03    9.32214e+04    4.00836e+05   -2.33507e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65375e+04   -2.44513e+06    4.80868e+05   -1.96426e+06    2.20929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11755e+02   -2.06658e+02   -2.06930e+01    5.17347e-06


DD  step 209719999  vol min/aver 0.651  load imb.: force  4.9%  pme mesh/force 0.639
           Step           Time
      209720000   419440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04340e+03    1.93666e+04    1.31730e+04    1.17712e+03   -3.10010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79986e+03    9.35035e+04    4.00557e+05   -2.34314e+04   -2.97701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64555e+04   -2.44646e+06    4.79995e+05   -1.96647e+06    2.20935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.08087e+02    1.77410e+01    5.13675e-06


step 209723200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 26 min 891 max 1051

DD  step 209724999 load imb.: force 14.3%  pme mesh/force 0.693
           Step           Time
      209725000   419450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84603e+03    1.92471e+04    1.29478e+04    1.23146e+03   -2.99195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88407e+03    9.33252e+04    4.00802e+05   -2.33822e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65554e+04   -2.44507e+06    4.79513e+05   -1.96555e+06    2.20941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.07216e+02    5.40948e+01    5.27289e-06


DD  step 209729999 load imb.: force 15.4%  pme mesh/force 0.740
           Step           Time
      209730000   419460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85566e+03    1.94385e+04    1.31231e+04    1.19692e+03   -3.04616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84709e+03    9.34235e+04    4.00178e+05   -2.34428e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64617e+04   -2.44804e+06    4.79911e+05   -1.96813e+06    2.20946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.08290e+02    2.27472e+01    5.27178e-06


step 209730200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.1 %.

DD  step 209734999  vol min/aver 0.724  load imb.: force  4.0%  pme mesh/force 0.644
           Step           Time
      209735000   419470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86738e+03    1.91663e+04    1.30295e+04    1.16806e+03   -3.09367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83608e+03    9.32194e+04    4.03793e+05   -2.34244e+04   -2.98300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63601e+04   -2.45008e+06    4.80375e+05   -1.96970e+06    2.20952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.07963e+02    9.68789e+01    5.12173e-06


DD  step 209739999  vol min/aver 0.691  load imb.: force  5.5%  pme mesh/force 0.651
           Step           Time
      209740000   419480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90092e+03    1.89855e+04    1.31424e+04    1.18914e+03   -2.96453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96456e+03    9.37911e+04    3.99705e+05   -2.33669e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64368e+04   -2.44835e+06    4.81909e+05   -1.96644e+06    2.20958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12431e+02   -2.06946e+02   -3.70377e+00    5.16864e-06


DD  step 209744999  vol min/aver 0.700  load imb.: force  4.0%  pme mesh/force 0.652
           Step           Time
      209745000   419490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08863e+03    1.93089e+04    1.30912e+04    1.15100e+03   -3.04799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92565e+03    9.29861e+04    3.99016e+05   -2.33663e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65055e+04   -2.44658e+06    4.78556e+05   -1.96803e+06    2.20964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10257e+02   -2.06935e+02   -7.40440e+01    5.24658e-06


DD  step 209749999  vol min/aver 0.696  load imb.: force  4.7%  pme mesh/force 0.648
           Step           Time
      209750000   419500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15604e+03    1.93095e+04    1.30084e+04    1.08051e+03   -3.06018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82286e+03    9.28800e+04    4.00687e+05   -2.33576e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65758e+04   -2.44813e+06    4.79877e+05   -1.96825e+06    2.20970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.06780e+02   -5.80363e+01    5.10085e-06


DD  step 209754999  vol min/aver 0.666  load imb.: force  4.3%  pme mesh/force 0.652
           Step           Time
      209755000   419510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34851e+03    1.93932e+04    1.29754e+04    1.11126e+03   -2.99937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83944e+03    9.30465e+04    4.01669e+05   -2.33946e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62899e+04   -2.44676e+06    4.78746e+05   -1.96801e+06    2.20976e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10380e+02   -2.07435e+02    4.53005e+01    5.11900e-06


DD  step 209759999  vol min/aver 0.713  load imb.: force  4.1%  pme mesh/force 0.651
           Step           Time
      209760000   419520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17328e+03    1.95855e+04    1.32363e+04    1.16815e+03   -2.98660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85255e+03    9.28647e+04    4.01185e+05   -2.33630e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66689e+04   -2.44574e+06    4.81086e+05   -1.96465e+06    2.20982e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11897e+02   -2.06876e+02   -1.09806e+01    5.29580e-06

Writing checkpoint, step 209760700 at Tue Nov  7 12:16:28 2023



DD  step 209764999  vol min/aver 0.693  load imb.: force  3.8%  pme mesh/force 0.651
           Step           Time
      209765000   419530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81679e+03    1.99806e+04    1.32797e+04    1.22825e+03   -3.20775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79724e+03    9.33338e+04    3.99765e+05   -2.33667e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64269e+04   -2.44560e+06    4.80437e+05   -1.96517e+06    2.20987e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11476e+02   -2.06942e+02    1.06814e+01    5.31575e-06


DD  step 209769999  vol min/aver 0.703  load imb.: force  4.1%  pme mesh/force 0.641
           Step           Time
      209770000   419540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84250e+03    1.94570e+04    1.30005e+04    1.17735e+03   -2.98010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00022e+03    9.35838e+04    4.01594e+05   -2.33831e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63909e+04   -2.44646e+06    4.80486e+05   -1.96597e+06    2.20993e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11507e+02   -2.07232e+02    7.18210e+01    5.18409e-06


DD  step 209774999  vol min/aver 0.679  load imb.: force  3.5%  pme mesh/force 0.653
           Step           Time
      209775000   419550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01189e+03    1.96599e+04    1.32012e+04    1.22303e+03   -3.01602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84299e+03    9.25390e+04    3.96312e+05   -2.33184e+04   -2.96970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65916e+04   -2.44366e+06    4.76793e+05   -1.96686e+06    2.20999e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09114e+02   -2.06088e+02   -9.16770e+01    5.15732e-06


DD  step 209779999  vol min/aver 0.700  load imb.: force  4.7%  pme mesh/force 0.660
           Step           Time
      209780000   419560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10765e+03    1.91683e+04    1.30639e+04    1.14605e+03   -3.03688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82132e+03    9.31813e+04    4.01666e+05   -2.33639e+04   -2.98077e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65900e+04   -2.44942e+06    4.77932e+05   -1.97149e+06    2.21005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09852e+02   -2.06891e+02   -4.03562e+01    5.01191e-06


DD  step 209784999  vol min/aver 0.753  load imb.: force  4.3%  pme mesh/force 0.653
           Step           Time
      209785000   419570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88670e+03    1.94578e+04    1.32535e+04    1.28473e+03   -3.16140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77036e+03    9.26537e+04    3.98473e+05   -2.33942e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64638e+04   -2.44757e+06    4.77291e+05   -1.97028e+06    2.21012e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09436e+02   -2.07428e+02   -6.87181e+01    5.11253e-06


DD  step 209789999  vol min/aver 0.699  load imb.: force  4.1%  pme mesh/force 0.652
           Step           Time
      209790000   419580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08166e+03    1.94411e+04    1.32220e+04    1.25698e+03   -2.90031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80358e+03    9.35875e+04    4.01223e+05   -2.33518e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64457e+04   -2.44410e+06    4.80427e+05   -1.96367e+06    2.21017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.06679e+02    3.33610e+01    5.13271e-06


DD  step 209794999  vol min/aver 0.719  load imb.: force  4.9%  pme mesh/force 0.652
           Step           Time
      209795000   419590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91852e+03    1.91942e+04    1.31512e+04    1.21930e+03   -2.98372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80383e+03    9.27002e+04    4.05256e+05   -2.34028e+04   -2.98331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64717e+04   -2.44898e+06    4.82273e+05   -1.96671e+06    2.21022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12666e+02   -2.07581e+02    1.26540e+02    5.15085e-06


DD  step 209799999  vol min/aver 0.694  load imb.: force  4.5%  pme mesh/force 0.653
           Step           Time
      209800000   419600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95170e+03    1.93304e+04    1.30025e+04    1.17651e+03   -2.94847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88870e+03    9.29604e+04    3.97288e+05   -2.33623e+04   -2.97287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65494e+04   -2.44603e+06    4.81310e+05   -1.96472e+06    2.21028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12042e+02   -2.06864e+02   -1.00222e+02    5.18241e-06


DD  step 209804999  vol min/aver 0.720  load imb.: force  4.2%  pme mesh/force 0.651
           Step           Time
      209805000   419610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16904e+03    1.94350e+04    1.31086e+04    1.27760e+03   -2.95432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86473e+03    9.25181e+04    4.02627e+05   -2.34153e+04   -2.97917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65657e+04   -2.44697e+06    4.80624e+05   -1.96635e+06    2.21034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11597e+02   -2.07801e+02    1.01042e+02    5.17225e-06


DD  step 209809999  vol min/aver 0.712  load imb.: force  4.5%  pme mesh/force 0.655
           Step           Time
      209810000   419620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93073e+03    1.94924e+04    1.28451e+04    1.12881e+03   -2.95167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76989e+03    9.29385e+04    3.97141e+05   -2.33829e+04   -2.97505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67431e+04   -2.44840e+06    4.81110e+05   -1.96729e+06    2.21040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11912e+02   -2.07228e+02   -1.11999e+02    5.17528e-06


DD  step 209814999  vol min/aver 0.710  load imb.: force  4.7%  pme mesh/force 0.652
           Step           Time
      209815000   419630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10888e+03    1.93575e+04    1.29765e+04    1.15914e+03   -2.99137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78556e+03    9.25728e+04    3.98397e+05   -2.34073e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66197e+04   -2.44990e+06    4.78683e+05   -1.97122e+06    2.21046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10339e+02   -2.07661e+02   -8.81821e+01    5.11001e-06


DD  step 209819999  vol min/aver 0.725  load imb.: force  4.1%  pme mesh/force 0.652
           Step           Time
      209820000   419640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16288e+03    1.92467e+04    1.31483e+04    1.14170e+03   -2.91519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86492e+03    9.28647e+04    3.98764e+05   -2.33800e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64111e+04   -2.44844e+06    4.79484e+05   -1.96896e+06    2.21051e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10858e+02   -2.07176e+02   -7.79691e+01    5.22276e-06


DD  step 209824999  vol min/aver 0.758  load imb.: force  4.5%  pme mesh/force 0.642
           Step           Time
      209825000   419650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00704e+03    1.91180e+04    1.29783e+04    1.19724e+03   -2.94894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83903e+03    9.28341e+04    4.00971e+05   -2.34168e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64872e+04   -2.44797e+06    4.78829e+05   -1.96914e+06    2.21057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.07830e+02   -1.66056e+01    5.08103e-06


DD  step 209829999  vol min/aver 0.693  load imb.: force  4.2%  pme mesh/force 0.635
           Step           Time
      209830000   419660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05756e+03    1.90774e+04    1.29486e+04    1.09573e+03   -2.99734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89745e+03    9.28093e+04    3.99460e+05   -2.33475e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66964e+04   -2.44764e+06    4.81103e+05   -1.96653e+06    2.21063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11908e+02   -2.06601e+02   -6.62645e+01    5.25287e-06


DD  step 209834999  vol min/aver 0.623  load imb.: force  3.9%  pme mesh/force 0.651
           Step           Time
      209835000   419670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98064e+03    1.99253e+04    1.29826e+04    1.22474e+03   -2.95961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90866e+03    9.28203e+04    4.00145e+05   -2.34132e+04   -2.97375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63580e+04   -2.44378e+06    4.79796e+05   -1.96398e+06    2.21069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.07766e+02    7.46966e+01    5.26435e-06


DD  step 209839999  vol min/aver 0.610  load imb.: force  4.7%  pme mesh/force 0.653
           Step           Time
      209840000   419680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07029e+03    1.91847e+04    1.29974e+04    1.27885e+03   -3.02970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90885e+03    9.30961e+04    3.99425e+05   -2.33516e+04   -2.97467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66386e+04   -2.44545e+06    4.79890e+05   -1.96556e+06    2.21075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11121e+02   -2.06675e+02   -6.29327e+01    5.35155e-06


DD  step 209844999  vol min/aver 0.692  load imb.: force  4.3%  pme mesh/force 0.652
           Step           Time
      209845000   419690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16776e+03    1.91702e+04    1.30844e+04    1.12849e+03   -3.10901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89349e+03    9.23650e+04    3.99924e+05   -2.33842e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63741e+04   -2.44862e+06    4.80954e+05   -1.96767e+06    2.21080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11811e+02   -2.07251e+02   -3.15178e+01    5.37426e-06


DD  step 209849999  vol min/aver 0.722  load imb.: force  4.2%  pme mesh/force 0.645
           Step           Time
      209850000   419700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05167e+03    1.95970e+04    1.32033e+04    1.17864e+03   -3.10995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73909e+03    9.28058e+04    4.02600e+05   -2.33874e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63300e+04   -2.44694e+06    4.80406e+05   -1.96654e+06    2.21086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.07307e+02    6.66271e+01    5.37144e-06


DD  step 209854999  vol min/aver 0.720  load imb.: force  5.8%  pme mesh/force 0.669
           Step           Time
      209855000   419710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04409e+03    1.90045e+04    1.30852e+04    1.05882e+03   -2.93041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89668e+03    9.28927e+04    3.98240e+05   -2.33410e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63965e+04   -2.44913e+06    4.80531e+05   -1.96860e+06    2.21091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11537e+02   -2.06486e+02   -1.14690e+02    5.13654e-06


DD  step 209859999  vol min/aver 0.686  load imb.: force  5.5%  pme mesh/force 0.662
           Step           Time
      209860000   419720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18645e+03    1.93731e+04    1.30402e+04    1.27823e+03   -3.09473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74285e+03    9.22136e+04    4.00645e+05   -2.33697e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66829e+04   -2.44618e+06    4.81048e+05   -1.96513e+06    2.21097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11872e+02   -2.06995e+02   -4.58248e+01    5.17895e-06


DD  step 209864999  vol min/aver 0.673  load imb.: force  4.0%  pme mesh/force 0.644
           Step           Time
      209865000   419730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24708e+03    1.89808e+04    1.31666e+04    1.17523e+03   -3.01690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86089e+03    9.29976e+04    4.00624e+05   -2.33831e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64253e+04   -2.44592e+06    4.77245e+05   -1.96868e+06    2.21104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09407e+02   -2.07232e+02   -1.25954e+01    5.26913e-06


DD  step 209869999  vol min/aver 0.711  load imb.: force  5.5%  pme mesh/force 0.650
           Step           Time
      209870000   419740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91244e+03    1.91910e+04    1.30350e+04    1.13020e+03   -2.92158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96581e+03    9.32371e+04    3.99249e+05   -2.33549e+04   -2.97253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64508e+04   -2.44364e+06    4.80738e+05   -1.96290e+06    2.21109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11671e+02   -2.06734e+02    2.53087e+01    5.37356e-06


DD  step 209874999  vol min/aver 0.709  load imb.: force  4.4%  pme mesh/force 0.649
           Step           Time
      209875000   419750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.39627e+03    1.97073e+04    1.29934e+04    1.20991e+03   -2.93419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82087e+03    9.27776e+04    3.97352e+05   -2.33369e+04   -2.97165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63860e+04   -2.44428e+06    4.79780e+05   -1.96450e+06    2.21115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.06415e+02   -1.12432e+02    5.23030e-06


DD  step 209879999  vol min/aver 0.725  load imb.: force  5.3%  pme mesh/force 0.658
           Step           Time
      209880000   419760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06023e+03    1.89391e+04    1.28421e+04    1.15761e+03   -2.93934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86458e+03    9.29597e+04    4.01584e+05   -2.34080e+04   -2.97992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63909e+04   -2.44947e+06    4.76953e+05   -1.97252e+06    2.21121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09217e+02   -2.07673e+02    3.74506e+01    5.14670e-06


DD  step 209884999  vol min/aver 0.714  load imb.: force  4.5%  pme mesh/force 0.652
           Step           Time
      209885000   419770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05114e+03    1.94217e+04    1.30434e+04    1.13758e+03   -3.01019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88075e+03    9.29685e+04    4.01302e+05   -2.33956e+04   -2.97935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63724e+04   -2.44858e+06    4.81726e+05   -1.96685e+06    2.21127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12312e+02   -2.07454e+02    6.45277e+01    5.39845e-06


DD  step 209889999  vol min/aver 0.706  load imb.: force  5.1%  pme mesh/force 0.654
           Step           Time
      209890000   419780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85084e+03    1.94116e+04    1.31565e+04    1.23733e+03   -3.13381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87650e+03    9.29748e+04    4.01038e+05   -2.34199e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66050e+04   -2.44848e+06    4.81463e+05   -1.96702e+06    2.21133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12141e+02   -2.07884e+02    3.32137e+01    5.27612e-06


DD  step 209894999  vol min/aver 0.727  load imb.: force  4.7%  pme mesh/force 0.660
           Step           Time
      209895000   419790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99886e+03    1.92548e+04    1.30346e+04    1.26894e+03   -3.01830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70546e+03    9.29415e+04    4.01032e+05   -2.33938e+04   -2.98164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62644e+04   -2.45155e+06    4.78267e+05   -1.97328e+06    2.21139e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10069e+02   -2.07421e+02   -7.98768e+01    5.29651e-06


DD  step 209899999  vol min/aver 0.733  load imb.: force  4.2%  pme mesh/force 0.645
           Step           Time
      209900000   419800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03770e+03    1.93042e+04    1.30032e+04    1.08151e+03   -3.07738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83964e+03    9.30435e+04    3.97783e+05   -2.34052e+04   -2.97301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66690e+04   -2.44573e+06    4.78714e+05   -1.96702e+06    2.21144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10359e+02   -2.07623e+02   -2.71258e+01    5.41716e-06


DD  step 209904999  vol min/aver 0.694  load imb.: force  5.5%  pme mesh/force 0.667
           Step           Time
      209905000   419810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88165e+03    1.91870e+04    1.31090e+04    1.12586e+03   -3.09543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86141e+03    9.23352e+04    4.03621e+05   -2.34036e+04   -2.98189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64270e+04   -2.44984e+06    4.78421e+05   -1.97142e+06    2.21150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10169e+02   -2.07595e+02    4.77946e+01    5.24147e-06


DD  step 209909999  vol min/aver 0.724  load imb.: force  6.6%  pme mesh/force 0.679
           Step           Time
      209910000   419820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01244e+03    1.92293e+04    1.30765e+04    1.14903e+03   -3.04446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86229e+03    9.34902e+04    3.99941e+05   -2.33810e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66436e+04   -2.44781e+06    4.79450e+05   -1.96836e+06    2.21156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10836e+02   -2.07194e+02   -1.32232e+01    5.52988e-06


DD  step 209914999  vol min/aver 0.684  load imb.: force  4.3%  pme mesh/force 0.650
           Step           Time
      209915000   419830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81931e+03    1.92162e+04    1.28944e+04    1.17904e+03   -3.08453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90158e+03    9.31808e+04    3.96962e+05   -2.33994e+04   -2.97295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64716e+04   -2.44681e+06    4.77191e+05   -1.96962e+06    2.21162e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09372e+02   -2.07521e+02   -4.27288e+01    5.29777e-06


DD  step 209919999  vol min/aver 0.711  load imb.: force  5.2%  pme mesh/force 0.650
           Step           Time
      209920000   419840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95911e+03    1.92211e+04    1.29995e+04    1.25407e+03   -2.95914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76254e+03    9.33847e+04    4.00880e+05   -2.33998e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63600e+04   -2.44774e+06    4.80781e+05   -1.96696e+06    2.21168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11699e+02   -2.07527e+02   -7.03992e+00    5.32789e-06


DD  step 209924999  vol min/aver 0.681  load imb.: force  3.6%  pme mesh/force 0.647
           Step           Time
      209925000   419850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77239e+03    1.92003e+04    1.27640e+04    1.16317e+03   -2.94440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86797e+03    9.34762e+04    3.98426e+05   -2.33876e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62928e+04   -2.45014e+06    4.80968e+05   -1.96917e+06    2.21174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11820e+02   -2.07311e+02   -9.59966e+01    5.38293e-06


DD  step 209929999  vol min/aver 0.703  load imb.: force  5.3%  pme mesh/force 0.664
           Step           Time
      209930000   419860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32868e+03    1.97733e+04    1.30178e+04    1.28562e+03   -2.90857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91579e+03    9.24698e+04    4.01663e+05   -2.34397e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65570e+04   -2.44696e+06    4.81683e+05   -1.96528e+06    2.21180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12284e+02   -2.08236e+02    6.75252e+01    5.35111e-06


DD  step 209934999  vol min/aver 0.714  load imb.: force  4.2%  pme mesh/force 0.638
           Step           Time
      209935000   419870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92914e+03    1.91895e+04    1.29440e+04    1.10167e+03   -3.00385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81395e+03    9.29528e+04    3.99699e+05   -2.33583e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65519e+04   -2.44750e+06    4.79764e+05   -1.96774e+06    2.21186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11040e+02   -2.06793e+02   -3.84353e+01    5.36374e-06


DD  step 209939999  vol min/aver 0.691  load imb.: force  4.1%  pme mesh/force 0.648
           Step           Time
      209940000   419880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04400e+03    1.96142e+04    1.30093e+04    1.24665e+03   -2.95242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95781e+03    9.28245e+04    3.96672e+05   -2.34227e+04   -2.97166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65387e+04   -2.44513e+06    4.79196e+05   -1.96593e+06    2.21192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10671e+02   -2.07933e+02   -2.32315e+01    5.37194e-06


DD  step 209944999  vol min/aver 0.684  load imb.: force  3.7%  pme mesh/force 0.650
           Step           Time
      209945000   419890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77106e+03    1.95382e+04    1.28942e+04    1.20451e+03   -2.97238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81738e+03    9.35397e+04    4.00404e+05   -2.33448e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64710e+04   -2.44591e+06    4.80630e+05   -1.96528e+06    2.21197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.06555e+02    1.15199e+01    5.25512e-06


DD  step 209949999  vol min/aver 0.692  load imb.: force  5.4%  pme mesh/force 0.663
           Step           Time
      209950000   419900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99962e+03    1.95687e+04    1.30890e+04    1.19711e+03   -3.00233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92174e+03    9.29864e+04    4.01388e+05   -2.34007e+04   -2.98015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65214e+04   -2.44888e+06    4.79008e+05   -1.96988e+06    2.21204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10550e+02   -2.07544e+02    7.00140e+01    5.28279e-06


DD  step 209954999  vol min/aver 0.734  load imb.: force  5.3%  pme mesh/force 0.659
           Step           Time
      209955000   419910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79831e+03    1.91198e+04    1.29127e+04    1.16913e+03   -3.01029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98125e+03    9.33876e+04    4.01902e+05   -2.33640e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64152e+04   -2.44563e+06    4.80544e+05   -1.96509e+06    2.21209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.06894e+02    8.09345e+01    5.35654e-06


DD  step 209959999  vol min/aver 0.734  load imb.: force  5.2%  pme mesh/force 0.656
           Step           Time
      209960000   419920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74692e+03    1.94905e+04    1.30392e+04    1.18808e+03   -3.04040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85493e+03    9.26158e+04    4.00452e+05   -2.33371e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66070e+04   -2.44782e+06    4.78165e+05   -1.96965e+06    2.21215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10003e+02   -2.06419e+02   -2.25981e+01    5.38481e-06


DD  step 209964999  vol min/aver 0.709  load imb.: force  4.9%  pme mesh/force 0.661
           Step           Time
      209965000   419930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08556e+03    1.99643e+04    1.29745e+04    1.18514e+03   -3.04866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70435e+03    9.30095e+04    4.03054e+05   -2.34079e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64139e+04   -2.44719e+06    4.79258e+05   -1.96793e+06    2.21221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.07671e+02    4.98401e+01    5.35920e-06


DD  step 209969999  vol min/aver 0.723  load imb.: force  4.9%  pme mesh/force 0.653
           Step           Time
      209970000   419940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15409e+03    1.88502e+04    1.29546e+04    1.26663e+03   -2.98078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89828e+03    9.30880e+04    4.01140e+05   -2.33831e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66493e+04   -2.44588e+06    4.78651e+05   -1.96723e+06    2.21226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10318e+02   -2.07232e+02    3.12229e+01    5.54906e-06


DD  step 209974999  vol min/aver 0.711  load imb.: force  4.2%  pme mesh/force 0.652
           Step           Time
      209975000   419950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05899e+03    1.94720e+04    1.29952e+04    1.19960e+03   -3.00711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82227e+03    9.28194e+04    3.98837e+05   -2.33527e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67459e+04   -2.44749e+06    4.79979e+05   -1.96751e+06    2.21232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.06695e+02   -9.30646e+01    5.31888e-06


step 209977200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 27 min 882 max 1052

DD  step 209979999 load imb.: force 13.8%  pme mesh/force 0.746
           Step           Time
      209980000   419960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00225e+03    1.93783e+04    1.30095e+04    1.18134e+03   -3.05856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81373e+03    9.28364e+04    3.99991e+05   -2.33466e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65333e+04   -2.44689e+06    4.78543e+05   -1.96835e+06    2.21238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10248e+02   -2.06586e+02   -1.67341e+01    5.33170e-06


step 209980200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.1 %.

DD  step 209984999  vol min/aver 0.733  load imb.: force  4.4%  pme mesh/force 0.637
           Step           Time
      209985000   419970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07821e+03    1.95145e+04    1.30461e+04    1.19149e+03   -3.03792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01216e+03    9.20895e+04    4.00545e+05   -2.33632e+04   -2.97496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65667e+04   -2.44531e+06    4.77650e+05   -1.96766e+06    2.21244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09669e+02   -2.06880e+02    5.89467e+01    5.40797e-06


DD  step 209989999  vol min/aver 0.710  load imb.: force  4.9%  pme mesh/force 0.639
           Step           Time
      209990000   419980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87029e+03    1.97460e+04    1.30016e+04    1.27185e+03   -3.16543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70984e+03    9.24877e+04    4.01074e+05   -2.33545e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65595e+04   -2.44768e+06    4.80116e+05   -1.96757e+06    2.21249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.06726e+02    4.90028e+00    5.36379e-06


DD  step 209994999  vol min/aver 0.722  load imb.: force  4.6%  pme mesh/force 0.644
           Step           Time
      209995000   419990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26447e+03    1.96654e+04    1.32508e+04    1.17933e+03   -3.01408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82767e+03    9.17024e+04    4.03013e+05   -2.34276e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63378e+04   -2.44840e+06    4.81331e+05   -1.96707e+06    2.21255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12056e+02   -2.08020e+02    9.31142e+01    5.31678e-06


DD  step 209999999  vol min/aver 0.688  load imb.: force  5.0%  pme mesh/force 0.645
           Step           Time
      210000000   420000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19657e+03    1.91697e+04    1.31312e+04    1.21862e+03   -3.01836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87488e+03    9.26226e+04    4.00282e+05   -2.34364e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65409e+04   -2.44953e+06    4.80348e+05   -1.96918e+06    2.21261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.08176e+02   -2.86283e+01    5.31068e-06


DD  step 210004999  vol min/aver 0.709  load imb.: force  4.0%  pme mesh/force 0.643
           Step           Time
      210005000   420010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06247e+03    1.91749e+04    1.30950e+04    1.29435e+03   -3.06475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84612e+03    9.31892e+04    4.00056e+05   -2.33631e+04   -2.97593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66513e+04   -2.44599e+06    4.80073e+05   -1.96592e+06    2.21266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11240e+02   -2.06877e+02    1.58466e+01    5.42099e-06


DD  step 210009999  vol min/aver 0.704  load imb.: force  4.5%  pme mesh/force 0.650
           Step           Time
      210010000   420020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97493e+03    1.93423e+04    1.31239e+04    1.16246e+03   -3.03708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88251e+03    9.33419e+04    4.01605e+05   -2.34468e+04   -2.98080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63489e+04   -2.44950e+06    4.81801e+05   -1.96770e+06    2.21273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12360e+02   -2.08361e+02    7.35842e+01    5.29832e-06


DD  step 210014999  vol min/aver 0.744  load imb.: force  4.4%  pme mesh/force 0.666
           Step           Time
      210015000   420030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08230e+03    1.95837e+04    1.31022e+04    1.32981e+03   -3.01466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81999e+03    9.26363e+04    3.99501e+05   -2.34053e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67160e+04   -2.44444e+06    4.79191e+05   -1.96525e+06    2.21279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.07625e+02    4.91443e+00    5.34008e-06


DD  step 210019999  vol min/aver 0.696  load imb.: force  4.4%  pme mesh/force 0.638
           Step           Time
      210020000   420040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03800e+03    1.91055e+04    1.29574e+04    1.27548e+03   -3.06238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86858e+03    9.31910e+04    3.98501e+05   -2.33629e+04   -2.97362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63688e+04   -2.44574e+06    4.81132e+05   -1.96461e+06    2.21284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11926e+02   -2.06874e+02   -4.41133e+01    5.53329e-06


DD  step 210024999  vol min/aver 0.704  load imb.: force  4.6%  pme mesh/force 0.648
           Step           Time
      210025000   420050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94236e+03    1.98168e+04    1.31042e+04    1.12584e+03   -3.07966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83615e+03    9.25593e+04    3.98922e+05   -2.33678e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64729e+04   -2.44892e+06    4.81269e+05   -1.96765e+06    2.21290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12016e+02   -2.06961e+02   -8.20895e+01    5.48699e-06


DD  step 210029999  vol min/aver 0.759  load imb.: force  5.0%  pme mesh/force 0.659
           Step           Time
      210030000   420060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19324e+03    1.92749e+04    1.30367e+04    1.19442e+03   -3.01805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77051e+03    9.25214e+04    3.99027e+05   -2.33811e+04   -2.97456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65970e+04   -2.44634e+06    4.79578e+05   -1.96676e+06    2.21296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.07196e+02   -5.64077e+01    5.44801e-06


DD  step 210034999  vol min/aver 0.734  load imb.: force  5.2%  pme mesh/force 0.667
           Step           Time
      210035000   420070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95102e+03    1.95114e+04    1.31121e+04    1.15943e+03   -3.11722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80828e+03    9.30329e+04    4.00218e+05   -2.33804e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65070e+04   -2.44534e+06    4.81680e+05   -1.96366e+06    2.21302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12282e+02   -2.07184e+02    5.76986e+01    5.51458e-06


DD  step 210039999  vol min/aver 0.689  load imb.: force  3.6%  pme mesh/force 0.649
           Step           Time
      210040000   420080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96849e+03    2.00154e+04    1.30687e+04    1.20957e+03   -3.01858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81706e+03    9.26332e+04    3.96824e+05   -2.33763e+04   -2.96969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66189e+04   -2.44293e+06    4.80722e+05   -1.96220e+06    2.21308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11660e+02   -2.07112e+02   -1.40342e+01    5.41765e-06


DD  step 210044999  vol min/aver 0.693  load imb.: force  4.8%  pme mesh/force 0.644
           Step           Time
      210045000   420090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04271e+03    1.90789e+04    1.30506e+04    1.23278e+03   -3.04580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72640e+03    9.24201e+04    4.02746e+05   -2.33725e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66293e+04   -2.44749e+06    4.79871e+05   -1.96761e+06    2.21313e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.07044e+02    2.78647e+01    5.51525e-06


step 210049200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 26 min 894 max 1039

DD  step 210049999 load imb.: force 13.8%  pme mesh/force 0.720
           Step           Time
      210050000   420100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02031e+03    1.91113e+04    1.30671e+04    1.23031e+03   -3.03362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97628e+03    9.24566e+04    3.98493e+05   -2.33747e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61775e+04   -2.44690e+06    4.80686e+05   -1.96621e+06    2.21319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11637e+02   -2.07082e+02   -2.18099e+01    5.38063e-06


DD  step 210054999 load imb.: force 14.7%  pme mesh/force 0.723
           Step           Time
      210055000   420110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08377e+03    1.95952e+04    1.30702e+04    1.15143e+03   -2.98401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91244e+03    9.25936e+04    4.01794e+05   -2.33934e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65379e+04   -2.44597e+06    4.80015e+05   -1.96595e+06    2.21325e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11202e+02   -2.07413e+02    2.63397e+01    5.41581e-06


step 210055200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.1 %.

DD  step 210059999  vol min/aver 0.681  load imb.: force  4.8%  pme mesh/force 0.645
           Step           Time
      210060000   420120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20629e+03    1.93924e+04    1.31512e+04    1.12481e+03   -2.94989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83002e+03    9.28485e+04    3.99646e+05   -2.33714e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65545e+04   -2.44681e+06    4.79507e+05   -1.96730e+06    2.21331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10873e+02   -2.07025e+02   -8.01676e+01    5.20565e-06


DD  step 210064999  vol min/aver 0.732  load imb.: force  5.0%  pme mesh/force 0.661
           Step           Time
      210065000   420130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81487e+03    1.93267e+04    1.30202e+04    1.20031e+03   -2.99814e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79036e+03    9.26322e+04    3.97609e+05   -2.33727e+04   -2.97322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63124e+04   -2.44688e+06    4.77953e+05   -1.96893e+06    2.21337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09866e+02   -2.07047e+02   -6.06232e+01    5.11987e-06


DD  step 210069999  vol min/aver 0.731  load imb.: force  4.1%  pme mesh/force 0.647
           Step           Time
      210070000   420140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14244e+03    1.96213e+04    1.29116e+04    1.21417e+03   -2.95208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85727e+03    9.20327e+04    4.01464e+05   -2.33715e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67820e+04   -2.44617e+06    4.77324e+05   -1.96885e+06    2.21343e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09458e+02   -2.07026e+02   -2.63125e+01    5.26451e-06


DD  step 210074999  vol min/aver 0.729  load imb.: force  5.3%  pme mesh/force 0.662
           Step           Time
      210075000   420150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75939e+03    1.93936e+04    1.32400e+04    1.12777e+03   -2.90041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01517e+03    9.31227e+04    3.99489e+05   -2.33932e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67837e+04   -2.44668e+06    4.80140e+05   -1.96654e+06    2.21348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.07411e+02    1.94984e+01    5.29952e-06


DD  step 210079999  vol min/aver 0.715  load imb.: force  4.2%  pme mesh/force 0.642
           Step           Time
      210080000   420160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98269e+03    1.94900e+04    1.30944e+04    1.13488e+03   -2.98521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79839e+03    9.28760e+04    4.00174e+05   -2.34579e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65276e+04   -2.44672e+06    4.80440e+05   -1.96628e+06    2.21354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.08558e+02    5.38447e+01    5.33413e-06


DD  step 210084999  vol min/aver 0.712  load imb.: force  4.9%  pme mesh/force 0.655
           Step           Time
      210085000   420170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90766e+03    1.95322e+04    1.31222e+04    1.25003e+03   -3.02332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87789e+03    9.24607e+04    4.00809e+05   -2.33665e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65862e+04   -2.44717e+06    4.78953e+05   -1.96822e+06    2.21360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10514e+02   -2.06938e+02   -1.70710e+01    5.29916e-06


DD  step 210089999  vol min/aver 0.746  load imb.: force  5.8%  pme mesh/force 0.634
           Step           Time
      210090000   420180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97988e+03    1.93031e+04    1.29185e+04    1.15444e+03   -2.93582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98708e+03    9.31067e+04    3.99489e+05   -2.33842e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66135e+04   -2.44503e+06    4.79419e+05   -1.96561e+06    2.21366e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10816e+02   -2.07251e+02    4.27011e+01    5.35756e-06


DD  step 210094999  vol min/aver 0.696  load imb.: force  7.7%  pme mesh/force 0.685
           Step           Time
      210095000   420190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96755e+03    1.94417e+04    1.31199e+04    1.28511e+03   -2.97721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80117e+03    9.30046e+04    4.01115e+05   -2.34047e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64573e+04   -2.44751e+06    4.82824e+05   -1.96469e+06    2.21371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13023e+02   -2.07615e+02    8.50922e+00    5.57431e-06


DD  step 210099999  vol min/aver 0.694  load imb.: force  4.3%  pme mesh/force 0.669
           Step           Time
      210100000   420200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20789e+03    1.95217e+04    1.30808e+04    1.27478e+03   -2.96702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67196e+03    9.20285e+04    4.01011e+05   -2.33801e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64289e+04   -2.44910e+06    4.79255e+05   -1.96985e+06    2.21377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.07179e+02   -8.19572e+00    5.33055e-06


DD  step 210104999  vol min/aver 0.731  load imb.: force  4.2%  pme mesh/force 0.653
           Step           Time
      210105000   420210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80358e+03    1.92318e+04    1.30647e+04    1.22173e+03   -2.98926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84176e+03    9.32591e+04    4.00190e+05   -2.34039e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64948e+04   -2.44603e+06    4.80868e+05   -1.96516e+06    2.21383e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11755e+02   -2.07600e+02    4.14960e+01    5.32345e-06


DD  step 210109999  vol min/aver 0.671  load imb.: force  4.6%  pme mesh/force 0.653
           Step           Time
      210110000   420220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03224e+03    1.92405e+04    1.30569e+04    1.15902e+03   -2.98298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74572e+03    9.34211e+04    4.01066e+05   -2.33978e+04   -2.98206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63982e+04   -2.45132e+06    4.80586e+05   -1.97073e+06    2.21389e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11573e+02   -2.07492e+02   -1.50274e+01    5.19476e-06


DD  step 210114999  vol min/aver 0.711  load imb.: force  5.7%  pme mesh/force 0.660
           Step           Time
      210115000   420230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03249e+03    1.95122e+04    1.30903e+04    1.19815e+03   -3.06765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75734e+03    9.26990e+04    4.01284e+05   -2.33742e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62858e+04   -2.44902e+06    4.79798e+05   -1.96922e+06    2.21395e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.07074e+02   -2.59552e+01    5.44777e-06


DD  step 210119999  vol min/aver 0.705  load imb.: force  5.4%  pme mesh/force 0.651
           Step           Time
      210120000   420240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74602e+03    1.92642e+04    1.31246e+04    1.14444e+03   -3.02062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87735e+03    9.31094e+04    4.03817e+05   -2.34421e+04   -2.98180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63636e+04   -2.44882e+06    4.82276e+05   -1.96654e+06    2.21400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12668e+02   -2.08277e+02    1.57353e+02    5.47182e-06


DD  step 210124999  vol min/aver 0.719  load imb.: force  4.7%  pme mesh/force 0.651
           Step           Time
      210125000   420250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03420e+03    1.97300e+04    1.29465e+04    1.10227e+03   -3.03246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80864e+03    9.28520e+04    4.00720e+05   -2.33811e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63521e+04   -2.44773e+06    4.82495e+05   -1.96524e+06    2.21407e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12810e+02   -2.07196e+02   -1.77222e+01    5.49128e-06


DD  step 210129999  vol min/aver 0.706  load imb.: force  4.6%  pme mesh/force 0.655
           Step           Time
      210130000   420260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98939e+03    1.91532e+04    1.30302e+04    1.18324e+03   -3.05088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75326e+03    9.24409e+04    4.00722e+05   -2.33805e+04   -2.97995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61612e+04   -2.45095e+06    4.77765e+05   -1.97318e+06    2.21412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09744e+02   -2.07186e+02   -2.03197e+01    5.22080e-06


DD  step 210134999  vol min/aver 0.707  load imb.: force  5.3%  pme mesh/force 0.664
           Step           Time
      210135000   420270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10569e+03    1.93045e+04    1.30015e+04    1.22297e+03   -3.02294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87492e+03    9.22462e+04    4.00627e+05   -2.33660e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65445e+04   -2.44540e+06    4.80596e+05   -1.96480e+06    2.21418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.06930e+02   -3.22201e+01    5.21632e-06


DD  step 210139999  vol min/aver 0.740  load imb.: force  7.2%  pme mesh/force 0.698
           Step           Time
      210140000   420280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25477e+03    1.96869e+04    1.31806e+04    1.16580e+03   -3.05439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82431e+03    9.25918e+04    3.98752e+05   -2.34137e+04   -2.97409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65866e+04   -2.44551e+06    4.79868e+05   -1.96564e+06    2.21424e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11107e+02   -2.07773e+02   -6.83110e+01    5.27969e-06

Writing checkpoint, step 210143700 at Tue Nov  7 12:31:28 2023



DD  step 210144999  vol min/aver 0.723  load imb.: force  3.9%  pme mesh/force 0.651
           Step           Time
      210145000   420290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94233e+03    1.96038e+04    1.31337e+04    1.17451e+03   -3.05099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80939e+03    9.24465e+04    4.02477e+05   -2.33597e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65986e+04   -2.44522e+06    4.79377e+05   -1.96584e+06    2.21430e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.06818e+02    8.89656e+01    5.25113e-06


DD  step 210149999  vol min/aver 0.739  load imb.: force  4.2%  pme mesh/force 0.645
           Step           Time
      210150000   420300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06900e+03    1.96468e+04    1.29827e+04    1.14339e+03   -2.91540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76877e+03    9.31898e+04    4.00693e+05   -2.33360e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63628e+04   -2.44664e+06    4.81250e+05   -1.96539e+06    2.21435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12003e+02   -2.06398e+02   -4.27235e+01    5.36888e-06


DD  step 210154999  vol min/aver 0.732  load imb.: force  4.5%  pme mesh/force 0.654
           Step           Time
      210155000   420310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85198e+03    1.92809e+04    1.31033e+04    1.15175e+03   -2.98166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84860e+03    9.30528e+04    4.00857e+05   -2.33735e+04   -2.97948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66873e+04   -2.44900e+06    4.76987e+05   -1.97202e+06    2.21441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09239e+02   -2.07062e+02   -3.77312e+01    5.00476e-06


DD  step 210159999  vol min/aver 0.693  load imb.: force  5.6%  pme mesh/force 0.662
           Step           Time
      210160000   420320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19309e+03    1.94368e+04    1.31547e+04    1.25205e+03   -3.16212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86114e+03    9.28261e+04    3.98659e+05   -2.33989e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67051e+04   -2.44567e+06    4.79560e+05   -1.96611e+06    2.21447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.07511e+02    9.77827e+00    5.34851e-06


DD  step 210164999  vol min/aver 0.722  load imb.: force  4.5%  pme mesh/force 0.653
           Step           Time
      210165000   420330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25374e+03    1.92837e+04    1.32917e+04    1.22185e+03   -3.00629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92322e+03    9.28054e+04    4.00789e+05   -2.33557e+04   -2.97564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65565e+04   -2.44488e+06    4.81661e+05   -1.96322e+06    2.21453e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12270e+02   -2.06748e+02   -2.18139e+01    5.26466e-06


DD  step 210169999  vol min/aver 0.697  load imb.: force  4.5%  pme mesh/force 0.653
           Step           Time
      210170000   420340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82997e+03    1.94906e+04    1.31435e+04    1.09331e+03   -3.16898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76259e+03    9.26760e+04    3.98026e+05   -2.34129e+04   -2.97568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63543e+04   -2.44889e+06    4.79048e+05   -1.96984e+06    2.21459e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.07759e+02   -6.94583e+01    5.35995e-06


DD  step 210174999  vol min/aver 0.709  load imb.: force  4.9%  pme mesh/force 0.657
           Step           Time
      210175000   420350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90553e+03    1.92396e+04    1.33455e+04    1.18930e+03   -3.08317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85650e+03    9.33663e+04    4.00424e+05   -2.34117e+04   -2.98087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65006e+04   -2.45054e+06    4.79758e+05   -1.97078e+06    2.21465e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11035e+02   -2.07738e+02   -1.77806e+01    5.14197e-06


DD  step 210179999  vol min/aver 0.772  load imb.: force  4.8%  pme mesh/force 0.644
           Step           Time
      210180000   420360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95069e+03    1.94159e+04    1.30048e+04    1.16925e+03   -3.08703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87680e+03    9.34373e+04    4.00568e+05   -2.33977e+04   -2.97959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62106e+04   -2.44944e+06    4.80541e+05   -1.96890e+06    2.21470e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.07490e+02    1.25402e+01    5.25723e-06


DD  step 210184999  vol min/aver 0.694  load imb.: force  4.2%  pme mesh/force 0.633
           Step           Time
      210185000   420370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92782e+03    2.02330e+04    1.31476e+04    1.15645e+03   -3.06650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81172e+03    9.24005e+04    4.00482e+05   -2.33816e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66059e+04   -2.44521e+06    4.79484e+05   -1.96573e+06    2.21476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10858e+02   -2.07204e+02    1.74596e+01    5.29795e-06


DD  step 210189999  vol min/aver 0.672  load imb.: force  4.9%  pme mesh/force 0.660
           Step           Time
      210190000   420380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74147e+03    1.94468e+04    1.30713e+04    1.21490e+03   -3.10192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97175e+03    9.27282e+04    3.98232e+05   -2.33946e+04   -2.97346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65688e+04   -2.44598e+06    4.80345e+05   -1.96564e+06    2.21482e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11416e+02   -2.07435e+02   -2.48941e+01    5.12184e-06


DD  step 210194999  vol min/aver 0.690  load imb.: force  3.7%  pme mesh/force 0.659
           Step           Time
      210195000   420390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19469e+03    1.94273e+04    1.31375e+04    1.22434e+03   -3.15968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81998e+03    9.23365e+04    3.97920e+05   -2.34084e+04   -2.97303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.60808e+04   -2.44646e+06    4.81052e+05   -1.96541e+06    2.21487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11875e+02   -2.07679e+02   -2.33194e+01    5.15047e-06


DD  step 210199999  vol min/aver 0.719  load imb.: force  3.9%  pme mesh/force 0.663
           Step           Time
      210200000   420400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14039e+03    1.93378e+04    1.30942e+04    1.10923e+03   -2.98141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92135e+03    9.25047e+04    3.99903e+05   -2.33840e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64056e+04   -2.44835e+06    4.78441e+05   -1.96991e+06    2.21493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10182e+02   -2.07248e+02   -3.19172e+01    5.15273e-06


DD  step 210204999  vol min/aver 0.698  load imb.: force  4.0%  pme mesh/force 0.644
           Step           Time
      210205000   420410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12224e+03    1.94038e+04    1.30001e+04    1.15252e+03   -2.99277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78440e+03    9.28199e+04    3.99145e+05   -2.33707e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62970e+04   -2.44851e+06    4.79761e+05   -1.96875e+06    2.21499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11037e+02   -2.07012e+02   -4.01396e+01    5.27655e-06


DD  step 210209999  vol min/aver 0.709  load imb.: force  5.4%  pme mesh/force 0.660
           Step           Time
      210210000   420420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82312e+03    1.97027e+04    1.31654e+04    1.26085e+03   -3.16310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75463e+03    9.30763e+04    4.00809e+05   -2.33718e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65343e+04   -2.44549e+06    4.80123e+05   -1.96536e+06    2.21504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11272e+02   -2.07032e+02   -1.55562e+01    5.25634e-06


DD  step 210214999  vol min/aver 0.698  load imb.: force  4.5%  pme mesh/force 0.646
           Step           Time
      210215000   420430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05482e+03    1.94468e+04    1.30208e+04    1.21207e+03   -3.03439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69429e+03    9.35219e+04    4.02875e+05   -2.33705e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66174e+04   -2.44677e+06    4.78682e+05   -1.96809e+06    2.21511e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.07008e+02    6.17998e+01    5.09637e-06


DD  step 210219999  vol min/aver 0.735  load imb.: force  3.5%  pme mesh/force 0.638
           Step           Time
      210220000   420440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92425e+03    1.88987e+04    1.30360e+04    1.12682e+03   -2.98344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84774e+03    9.31123e+04    4.03846e+05   -2.34013e+04   -2.98161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66099e+04   -2.44860e+06    4.80415e+05   -1.96818e+06    2.21516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.07555e+02    9.57519e+01    5.01525e-06


DD  step 210224999  vol min/aver 0.706  load imb.: force  5.4%  pme mesh/force 0.668
           Step           Time
      210225000   420450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90248e+03    1.93321e+04    1.30650e+04    1.17591e+03   -2.98678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97622e+03    9.31892e+04    4.00704e+05   -2.34305e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64100e+04   -2.44723e+06    4.81554e+05   -1.96567e+06    2.21522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12200e+02   -2.08072e+02    6.46805e+01    4.96016e-06


DD  step 210229999  vol min/aver 0.706  load imb.: force  4.4%  pme mesh/force 0.650
           Step           Time
      210230000   420460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80075e+03    1.95111e+04    1.32235e+04    1.14049e+03   -2.96980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96837e+03    9.38486e+04    3.96865e+05   -2.33778e+04   -2.97507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64970e+04   -2.44756e+06    4.81264e+05   -1.96630e+06    2.21527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12012e+02   -2.07137e+02   -7.50781e+01    5.14750e-06


DD  step 210234999  vol min/aver 0.705  load imb.: force  4.1%  pme mesh/force 0.652
           Step           Time
      210235000   420470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06067e+03    1.92932e+04    1.30641e+04    1.21506e+03   -3.04113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86117e+03    9.32373e+04    4.02923e+05   -2.33805e+04   -2.98161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65673e+04   -2.44881e+06    4.78542e+05   -1.97027e+06    2.21533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10247e+02   -2.07185e+02    3.71205e+01    5.02618e-06


DD  step 210239999  vol min/aver 0.744  load imb.: force  4.1%  pme mesh/force 0.660
           Step           Time
      210240000   420480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19255e+03    1.96966e+04    1.32280e+04    1.16015e+03   -3.13549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70665e+03    9.32784e+04    3.99767e+05   -2.33702e+04   -2.97448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66075e+04   -2.44435e+06    4.79606e+05   -1.96474e+06    2.21539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10937e+02   -2.07004e+02   -4.63271e+00    5.18056e-06


DD  step 210244999  vol min/aver 0.740  load imb.: force  4.4%  pme mesh/force 0.647
           Step           Time
      210245000   420490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03495e+03    1.92819e+04    1.31436e+04    1.16605e+03   -2.96821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84600e+03    9.32415e+04    4.00020e+05   -2.33957e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66889e+04   -2.44802e+06    4.79773e+05   -1.96824e+06    2.21545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11045e+02   -2.07454e+02   -3.45904e+01    4.97573e-06


DD  step 210249999  vol min/aver 0.708  load imb.: force  7.4%  pme mesh/force 0.675
           Step           Time
      210250000   420500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21982e+03    1.95828e+04    1.30594e+04    1.21270e+03   -3.08732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84688e+03    9.30722e+04    4.03569e+05   -2.33867e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65572e+04   -2.44612e+06    4.81606e+05   -1.96452e+06    2.21551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12234e+02   -2.07295e+02    7.71302e+01    5.03852e-06


DD  step 210254999  vol min/aver 0.718  load imb.: force  5.0%  pme mesh/force 0.659
           Step           Time
      210255000   420510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07973e+03    1.93937e+04    1.26960e+04    1.14315e+03   -2.83740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87473e+03    9.24785e+04    3.98632e+05   -2.34091e+04   -2.97560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63383e+04   -2.44821e+06    4.80262e+05   -1.96795e+06    2.21556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11362e+02   -2.07692e+02   -7.26841e+01    5.08920e-06


DD  step 210259999  vol min/aver 0.686  load imb.: force  4.4%  pme mesh/force 0.651
           Step           Time
      210260000   420520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99441e+03    1.92804e+04    1.31518e+04    1.18715e+03   -3.17087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01333e+03    9.29958e+04    4.00280e+05   -2.34012e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63731e+04   -2.44811e+06    4.77634e+05   -1.97048e+06    2.21562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09658e+02   -2.07552e+02    1.66233e+01    5.24345e-06


DD  step 210264999  vol min/aver 0.678  load imb.: force  3.9%  pme mesh/force 0.650
           Step           Time
      210265000   420530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92208e+03    1.93399e+04    1.30519e+04    1.15520e+03   -3.08652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85629e+03    9.31025e+04    4.03267e+05   -2.34138e+04   -2.98150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63319e+04   -2.44898e+06    4.79524e+05   -1.96945e+06    2.21568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10884e+02   -2.07776e+02    7.44046e+01    5.16197e-06


DD  step 210269999  vol min/aver 0.749  load imb.: force  4.4%  pme mesh/force 0.645
           Step           Time
      210270000   420540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85801e+03    1.97939e+04    1.29124e+04    1.30609e+03   -3.01312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77751e+03    9.26661e+04    4.00638e+05   -2.33655e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63260e+04   -2.44519e+06    4.79852e+05   -1.96534e+06    2.21573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11096e+02   -2.06920e+02    3.01696e+01    5.05754e-06


DD  step 210274999  vol min/aver 0.757  load imb.: force  4.2%  pme mesh/force 0.647
           Step           Time
      210275000   420550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07707e+03    1.92697e+04    1.30203e+04    1.20126e+03   -2.87799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84744e+03    9.24744e+04    3.96684e+05   -2.33677e+04   -2.97069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68223e+04   -2.44454e+06    4.79913e+05   -1.96462e+06    2.21579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11136e+02   -2.06958e+02   -1.06469e+02    5.08368e-06


DD  step 210279999  vol min/aver 0.780  load imb.: force  4.8%  pme mesh/force 0.663
           Step           Time
      210280000   420560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02751e+03    1.95054e+04    1.32235e+04    1.23929e+03   -3.11161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78149e+03    9.28607e+04    4.01926e+05   -2.33313e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64418e+04   -2.44602e+06    4.80749e+05   -1.96527e+06    2.21585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11678e+02   -2.06316e+02    6.81187e+00    5.15438e-06


DD  step 210284999  vol min/aver 0.726  load imb.: force  3.9%  pme mesh/force 0.644
           Step           Time
      210285000   420570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22176e+03    1.97320e+04    1.31373e+04    1.16173e+03   -3.00646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73576e+03    9.22397e+04    4.01269e+05   -2.33332e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65052e+04   -2.44405e+06    4.79123e+05   -1.96493e+06    2.21590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10624e+02   -2.06349e+02   -9.37318e+00    5.20750e-06


DD  step 210289999  vol min/aver 0.695  load imb.: force  5.9%  pme mesh/force 0.662
           Step           Time
      210290000   420580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87224e+03    1.93964e+04    1.31792e+04    1.26499e+03   -3.09682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93222e+03    9.26837e+04    3.98968e+05   -2.34243e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63319e+04   -2.44602e+06    4.77231e+05   -1.96879e+06    2.21596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09397e+02   -2.07962e+02    2.34365e+01    4.93795e-06


DD  step 210294999  vol min/aver 0.711  load imb.: force  3.8%  pme mesh/force 0.662
           Step           Time
      210295000   420590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89249e+03    1.94906e+04    1.30557e+04    1.20483e+03   -2.98315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69089e+03    9.25469e+04    3.98829e+05   -2.34129e+04   -2.97273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63653e+04   -2.44505e+06    4.80250e+05   -1.96480e+06    2.21602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11355e+02   -2.07759e+02   -1.94080e+01    5.15144e-06


DD  step 210299999  vol min/aver 0.757  load imb.: force  5.3%  pme mesh/force 0.651
           Step           Time
      210300000   420600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80803e+03    1.93802e+04    1.31276e+04    1.17395e+03   -3.00518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88763e+03    9.30646e+04    3.99755e+05   -2.34326e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66534e+04   -2.44660e+06    4.80026e+05   -1.96658e+06    2.21607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.08109e+02    5.98756e+01    4.98242e-06


DD  step 210304999  vol min/aver 0.720  load imb.: force  6.4%  pme mesh/force 0.672
           Step           Time
      210305000   420610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06567e+03    1.89163e+04    1.29185e+04    1.09548e+03   -2.96257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85145e+03    9.28975e+04    4.02914e+05   -2.33760e+04   -2.98150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63479e+04   -2.44983e+06    4.77801e+05   -1.97203e+06    2.21613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09767e+02   -2.07106e+02    2.23143e+01    5.14105e-06


DD  step 210309999  vol min/aver 0.659  load imb.: force  5.0%  pme mesh/force 0.655
           Step           Time
      210310000   420620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79037e+03    1.96907e+04    1.31633e+04    1.25305e+03   -3.00514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87439e+03    9.22839e+04    4.03779e+05   -2.33619e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65922e+04   -2.44643e+06    4.82911e+05   -1.96352e+06    2.21619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13080e+02   -2.06857e+02    1.47693e+02    5.11432e-06


DD  step 210314999  vol min/aver 0.740  load imb.: force  4.3%  pme mesh/force 0.646
           Step           Time
      210315000   420630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09127e+03    1.94560e+04    1.30576e+04    1.16639e+03   -2.97380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68017e+03    9.23271e+04    4.01842e+05   -2.33945e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66412e+04   -2.44853e+06    4.78300e+05   -1.97023e+06    2.21625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.07434e+02    2.74458e+01    5.10848e-06


DD  step 210319999  vol min/aver 0.710  load imb.: force  3.3%  pme mesh/force 0.654
           Step           Time
      210320000   420640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73967e+03    1.91546e+04    1.30925e+04    1.32980e+03   -3.01827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90098e+03    9.28349e+04    3.99420e+05   -2.34267e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65546e+04   -2.44712e+06    4.79040e+05   -1.96808e+06    2.21631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10570e+02   -2.08004e+02    3.44820e+01    5.00491e-06


DD  step 210324999  vol min/aver 0.735  load imb.: force  4.1%  pme mesh/force 0.654
           Step           Time
      210325000   420650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14692e+03    1.91634e+04    1.30760e+04    1.26359e+03   -3.03691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79809e+03    9.32662e+04    4.01536e+05   -2.33561e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63482e+04   -2.44769e+06    4.79575e+05   -1.96811e+06    2.21637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.06754e+02   -4.82823e+00    5.20250e-06


DD  step 210329999  vol min/aver 0.775  load imb.: force  6.3%  pme mesh/force 0.622
           Step           Time
      210330000   420660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12580e+03    1.91743e+04    1.29525e+04    1.11919e+03   -3.09012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77885e+03    9.27957e+04    3.98153e+05   -2.33444e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65667e+04   -2.44850e+06    4.80209e+05   -1.96829e+06    2.21643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.06548e+02   -8.38120e+01    5.34174e-06


DD  step 210334999  vol min/aver 0.756  load imb.: force  4.9%  pme mesh/force 0.657
           Step           Time
      210335000   420670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22643e+03    1.96019e+04    1.31252e+04    1.14426e+03   -3.05376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80969e+03    9.25461e+04    4.00025e+05   -2.33498e+04   -2.97355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66903e+04   -2.44379e+06    4.79148e+05   -1.96464e+06    2.21649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10640e+02   -2.06643e+02    4.34068e+00    5.09110e-06


DD  step 210339999  vol min/aver 0.739  load imb.: force  7.9%  pme mesh/force 0.692
           Step           Time
      210340000   420680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97753e+03    1.93731e+04    1.30511e+04    1.24695e+03   -3.09798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89449e+03    9.27856e+04    4.02018e+05   -2.34010e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64527e+04   -2.45041e+06    4.81130e+05   -1.96928e+06    2.21655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11925e+02   -2.07548e+02    5.71364e+00    5.37877e-06


DD  step 210344999  vol min/aver 0.747  load imb.: force  4.9%  pme mesh/force 0.660
           Step           Time
      210345000   420690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13749e+03    1.90543e+04    1.31269e+04    1.16502e+03   -3.01580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91349e+03    9.24493e+04    3.99885e+05   -2.34031e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63400e+04   -2.45144e+06    4.76907e+05   -1.97453e+06    2.21660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09187e+02   -2.07587e+02   -6.89471e+01    5.15940e-06


DD  step 210349999  vol min/aver 0.673  load imb.: force  6.3%  pme mesh/force 0.662
           Step           Time
      210350000   420700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26632e+03    1.90671e+04    1.31759e+04    1.16646e+03   -3.02108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86632e+03    9.28211e+04    3.99355e+05   -2.33705e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63446e+04   -2.44841e+06    4.79611e+05   -1.96880e+06    2.21666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.07009e+02   -5.98254e+01    5.16211e-06


DD  step 210354999  vol min/aver 0.764  load imb.: force  5.8%  pme mesh/force 0.653
           Step           Time
      210355000   420710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95162e+03    1.91581e+04    1.31070e+04    1.10684e+03   -3.11960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72873e+03    9.24321e+04    4.00918e+05   -2.33505e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64559e+04   -2.44863e+06    4.78106e+05   -1.97053e+06    2.21672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09965e+02   -2.06655e+02   -1.98135e+01    5.24435e-06


DD  step 210359999  vol min/aver 0.772  load imb.: force  4.3%  pme mesh/force 0.653
           Step           Time
      210360000   420720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01685e+03    1.96073e+04    1.33861e+04    1.22711e+03   -3.17474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80272e+03    9.28035e+04    3.99929e+05   -2.33810e+04   -2.97532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64406e+04   -2.44566e+06    4.80355e+05   -1.96531e+06    2.21678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11423e+02   -2.07194e+02    2.42358e+01    5.28723e-06


DD  step 210364999  vol min/aver 0.733  load imb.: force  5.3%  pme mesh/force 0.664
           Step           Time
      210365000   420730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00868e+03    1.90787e+04    1.30930e+04    1.25633e+03   -3.02827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85946e+03    9.32567e+04    4.01604e+05   -2.33601e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64212e+04   -2.44638e+06    4.77687e+05   -1.96869e+06    2.21684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.06824e+02    7.49579e+01    5.14072e-06


DD  step 210369999  vol min/aver 0.753  load imb.: force  4.8%  pme mesh/force 0.651
           Step           Time
      210370000   420740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04632e+03    1.92408e+04    1.30204e+04    1.10899e+03   -3.03770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95876e+03    9.28167e+04    4.03295e+05   -2.34040e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63039e+04   -2.44717e+06    4.79179e+05   -1.96800e+06    2.21690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10660e+02   -2.07601e+02    1.51317e+02    5.15875e-06


DD  step 210374999  vol min/aver 0.765  load imb.: force  4.8%  pme mesh/force 0.642
           Step           Time
      210375000   420750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22850e+03    1.93762e+04    1.29912e+04    1.05448e+03   -3.06043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73389e+03    9.26642e+04    4.00672e+05   -2.34043e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65198e+04   -2.44748e+06    4.79877e+05   -1.96760e+06    2.21695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.07607e+02    2.37335e+01    5.28402e-06


DD  step 210379999  vol min/aver 0.742  load imb.: force  4.3%  pme mesh/force 0.662
           Step           Time
      210380000   420760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23710e+03    1.92118e+04    1.32368e+04    1.24636e+03   -2.96566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94577e+03    9.32290e+04    3.98216e+05   -2.33731e+04   -2.97348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66303e+04   -2.44487e+06    4.79720e+05   -1.96515e+06    2.21702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.07056e+02   -5.01396e+01    5.17828e-06


DD  step 210384999  vol min/aver 0.747  load imb.: force  4.9%  pme mesh/force 0.651
           Step           Time
      210385000   420770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05296e+03    1.96160e+04    1.30373e+04    1.15466e+03   -2.95192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84288e+03    9.28535e+04    4.01934e+05   -2.33764e+04   -2.97857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64700e+04   -2.44694e+06    4.79905e+05   -1.96703e+06    2.21708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.07113e+02    5.78618e+01    4.98796e-06


DD  step 210389999  vol min/aver 0.769  load imb.: force  5.0%  pme mesh/force 0.649
           Step           Time
      210390000   420780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30926e+03    1.94527e+04    1.29861e+04    1.12562e+03   -2.85049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82980e+03    9.35460e+04    3.99288e+05   -2.33346e+04   -2.97299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64727e+04   -2.44317e+06    4.80961e+05   -1.96221e+06    2.21713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11816e+02   -2.06373e+02   -5.81559e+01    5.12115e-06


DD  step 210394999  vol min/aver 0.752  load imb.: force  4.7%  pme mesh/force 0.660
           Step           Time
      210395000   420790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18291e+03    1.93376e+04    1.30764e+04    1.24910e+03   -2.94694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68056e+03    9.26147e+04    4.00062e+05   -2.34297e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67105e+04   -2.44671e+06    4.81642e+05   -1.96506e+06    2.21718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12257e+02   -2.08058e+02    3.94088e+01    5.14084e-06


DD  step 210399999  vol min/aver 0.729  load imb.: force  4.7%  pme mesh/force 0.621
           Step           Time
      210400000   420800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02362e+03    1.92584e+04    1.30420e+04    1.19619e+03   -2.98070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90932e+03    9.30229e+04    4.00127e+05   -2.33534e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64853e+04   -2.44553e+06    4.79372e+05   -1.96616e+06    2.21724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.06706e+02   -2.67017e+01    5.19377e-06


DD  step 210404999  vol min/aver 0.738  load imb.: force  5.8%  pme mesh/force 0.655
           Step           Time
      210405000   420810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35652e+03    1.93087e+04    1.30912e+04    1.15628e+03   -3.00025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70766e+03    9.35221e+04    4.01332e+05   -2.33403e+04   -2.97834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64222e+04   -2.44679e+06    4.79781e+05   -1.96701e+06    2.21731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.06475e+02   -6.63687e+01    5.19964e-06


DD  step 210409999  vol min/aver 0.733  load imb.: force  5.0%  pme mesh/force 0.667
           Step           Time
      210410000   420820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13755e+03    1.91388e+04    1.30658e+04    1.13480e+03   -3.02968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78217e+03    9.37263e+04    4.00762e+05   -2.33678e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64483e+04   -2.44954e+06    4.80852e+05   -1.96869e+06    2.21736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11745e+02   -2.06961e+02   -3.00532e+01    5.15480e-06


DD  step 210414999  vol min/aver 0.721  load imb.: force  5.2%  pme mesh/force 0.650
           Step           Time
      210415000   420830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81005e+03    1.92996e+04    1.31361e+04    1.21737e+03   -3.08857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82470e+03    9.30481e+04    3.99698e+05   -2.34074e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63011e+04   -2.44898e+06    4.80608e+05   -1.96837e+06    2.21742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.07662e+02    1.68555e+01    5.20810e-06


DD  step 210419999  vol min/aver 0.738  load imb.: force  4.8%  pme mesh/force 0.670
           Step           Time
      210420000   420840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11253e+03    1.91667e+04    1.31914e+04    1.23140e+03   -3.01682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80566e+03    9.32046e+04    4.02187e+05   -2.34161e+04   -2.98079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65428e+04   -2.44878e+06    4.79272e+05   -1.96951e+06    2.21748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10720e+02   -2.07816e+02    7.07281e+01    5.14792e-06


DD  step 210424999  vol min/aver 0.716  load imb.: force  3.9%  pme mesh/force 0.643
           Step           Time
      210425000   420850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08438e+03    1.96522e+04    1.31004e+04    1.18481e+03   -3.16978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69198e+03    9.31704e+04    4.00953e+05   -2.33763e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66218e+04   -2.44658e+06    4.82569e+05   -1.96402e+06    2.21754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12858e+02   -2.07112e+02    3.81563e+01    5.15402e-06


DD  step 210429999  vol min/aver 0.722  load imb.: force  8.3%  pme mesh/force 0.700
           Step           Time
      210430000   420860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28455e+03    1.96280e+04    1.30574e+04    1.10909e+03   -2.95879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69220e+03    9.29351e+04    3.99906e+05   -2.33666e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65158e+04   -2.44697e+06    4.81071e+05   -1.96590e+06    2.21759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11887e+02   -2.06940e+02   -1.59541e+01    5.02130e-06


DD  step 210434999  vol min/aver 0.707  load imb.: force  4.3%  pme mesh/force 0.654
           Step           Time
      210435000   420870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08146e+03    1.93263e+04    1.32561e+04    1.23679e+03   -3.03488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81883e+03    9.28971e+04    4.02460e+05   -2.34013e+04   -2.98066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66203e+04   -2.44840e+06    4.80826e+05   -1.96757e+06    2.21765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11728e+02   -2.07554e+02    6.30641e+01    5.19668e-06


DD  step 210439999  vol min/aver 0.752  load imb.: force  4.6%  pme mesh/force 0.657
           Step           Time
      210440000   420880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96295e+03    1.94625e+04    1.32247e+04    1.16486e+03   -3.04316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88191e+03    9.30132e+04    4.00036e+05   -2.34153e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63059e+04   -2.44697e+06    4.79563e+05   -1.96740e+06    2.21771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.07803e+02    3.55465e+01    4.97807e-06


DD  step 210444999  vol min/aver 0.723  load imb.: force  3.7%  pme mesh/force 0.649
           Step           Time
      210445000   420890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96017e+03    1.94815e+04    1.29820e+04    1.11742e+03   -2.94635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88784e+03    9.32553e+04    3.98524e+05   -2.33789e+04   -2.97496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62219e+04   -2.44686e+06    4.80797e+05   -1.96606e+06    2.21777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11709e+02   -2.07158e+02   -3.39483e+01    5.11404e-06


DD  step 210449999  vol min/aver 0.757  load imb.: force  4.7%  pme mesh/force 0.666
           Step           Time
      210450000   420900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01632e+03    1.91938e+04    1.32875e+04    1.26712e+03   -3.12410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70329e+03    9.30343e+04    4.01686e+05   -2.32921e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63801e+04   -2.44543e+06    4.79957e+05   -1.96547e+06    2.21783e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11165e+02   -2.05624e+02   -4.39311e+00    5.22434e-06


DD  step 210454999  vol min/aver 0.726  load imb.: force  4.1%  pme mesh/force 0.663
           Step           Time
      210455000   420910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00624e+03    1.94139e+04    1.30895e+04    1.21837e+03   -2.99582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85527e+03    9.25415e+04    3.97891e+05   -2.33887e+04   -2.97191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65256e+04   -2.44475e+06    4.80657e+05   -1.96409e+06    2.21788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11618e+02   -2.07331e+02    1.83733e+01    5.13048e-06


DD  step 210459999  vol min/aver 0.721  load imb.: force  4.3%  pme mesh/force 0.652
           Step           Time
      210460000   420920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28560e+03    1.96954e+04    1.29747e+04    1.22529e+03   -3.09875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77116e+03    9.26785e+04    3.99469e+05   -2.34165e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62926e+04   -2.44744e+06    4.80454e+05   -1.96698e+06    2.21795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.07823e+02   -2.83786e+01    5.08511e-06


DD  step 210464999  vol min/aver 0.719  load imb.: force  4.2%  pme mesh/force 0.647
           Step           Time
      210465000   420930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98540e+03    1.92246e+04    1.30964e+04    1.17368e+03   -3.09738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77696e+03    9.28977e+04    4.03645e+05   -2.33981e+04   -2.98252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63538e+04   -2.44986e+06    4.79520e+05   -1.97034e+06    2.21800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10881e+02   -2.07497e+02    9.00853e+01    5.08089e-06


DD  step 210469999  vol min/aver 0.708  load imb.: force  4.1%  pme mesh/force 0.651
           Step           Time
      210470000   420940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21554e+03    1.95457e+04    1.31364e+04    1.26666e+03   -3.00556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81579e+03    9.20592e+04    3.99812e+05   -2.33735e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66907e+04   -2.44462e+06    4.79020e+05   -1.96560e+06    2.21807e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.07061e+02   -3.60678e+00    5.11806e-06


DD  step 210474999  vol min/aver 0.729  load imb.: force  4.5%  pme mesh/force 0.658
           Step           Time
      210475000   420950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85572e+03    1.96952e+04    1.31488e+04    1.18532e+03   -2.95403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82426e+03    9.26326e+04    3.99538e+05   -2.33426e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67166e+04   -2.44680e+06    4.80557e+05   -1.96624e+06    2.21812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11554e+02   -2.06516e+02   -3.75978e+01    5.13992e-06


DD  step 210479999  vol min/aver 0.734  load imb.: force  5.2%  pme mesh/force 0.640
           Step           Time
      210480000   420960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13074e+03    1.89173e+04    1.31575e+04    1.20327e+03   -2.99250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99466e+03    9.24805e+04    3.99751e+05   -2.34272e+04   -2.97992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66021e+04   -2.45110e+06    4.78423e+05   -1.97268e+06    2.21818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10170e+02   -2.08013e+02   -4.71312e+00    5.10759e-06


DD  step 210484999  vol min/aver 0.736  load imb.: force  5.4%  pme mesh/force 0.665
           Step           Time
      210485000   420970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01909e+03    1.94128e+04    1.30596e+04    1.18533e+03   -3.08465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77243e+03    9.31052e+04    4.02511e+05   -2.34044e+04   -2.98112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61626e+04   -2.44938e+06    4.77837e+05   -1.97154e+06    2.21824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09790e+02   -2.07609e+02   -5.22585e+00    4.96509e-06


DD  step 210489999  vol min/aver 0.730  load imb.: force  4.7%  pme mesh/force 0.659
           Step           Time
      210490000   420980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01263e+03    1.97368e+04    1.29898e+04    1.21953e+03   -2.96786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76596e+03    9.24813e+04    3.98354e+05   -2.34245e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65632e+04   -2.44778e+06    4.79425e+05   -1.96836e+06    2.21829e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10820e+02   -2.07965e+02   -1.94222e+01    5.09313e-06


DD  step 210494999  vol min/aver 0.743  load imb.: force  5.2%  pme mesh/force 0.654
           Step           Time
      210495000   420990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06020e+03    1.94959e+04    1.31414e+04    1.17042e+03   -3.00688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88182e+03    9.29970e+04    3.98728e+05   -2.33556e+04   -2.97335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66437e+04   -2.44460e+06    4.81128e+05   -1.96347e+06    2.21835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11924e+02   -2.06744e+02   -1.79812e+01    5.09588e-06


DD  step 210499999  vol min/aver 0.734  load imb.: force  4.7%  pme mesh/force 0.659
           Step           Time
      210500000   421000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03452e+03    1.93689e+04    1.29500e+04    1.17696e+03   -2.97519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91536e+03    9.25361e+04    4.00008e+05   -2.33871e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66286e+04   -2.44820e+06    4.77910e+05   -1.97029e+06    2.21842e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09838e+02   -2.07303e+02    1.46167e+00    5.01954e-06


DD  step 210504999  vol min/aver 0.763  load imb.: force  6.3%  pme mesh/force 0.670
           Step           Time
      210505000   421010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12794e+03    1.93296e+04    1.30565e+04    1.23369e+03   -3.08709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78408e+03    9.29489e+04    4.00372e+05   -2.33647e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62718e+04   -2.44707e+06    4.80925e+05   -1.96614e+06    2.21847e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11792e+02   -2.06906e+02   -5.43963e+01    5.07205e-06


DD  step 210509999  vol min/aver 0.707  load imb.: force  5.4%  pme mesh/force 0.660
           Step           Time
      210510000   421020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84843e+03    1.97630e+04    1.32253e+04    1.15065e+03   -3.12911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88281e+03    9.26830e+04    4.01463e+05   -2.33360e+04   -2.97982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63337e+04   -2.44893e+06    4.80639e+05   -1.96829e+06    2.21853e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11607e+02   -2.06399e+02    2.46771e+01    5.02666e-06


DD  step 210514999  vol min/aver 0.715  load imb.: force  5.0%  pme mesh/force 0.674
           Step           Time
      210515000   421030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84941e+03    1.95332e+04    1.29258e+04    1.12078e+03   -3.00942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84290e+03    9.24980e+04    3.99897e+05   -2.34312e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65788e+04   -2.44743e+06    4.78758e+05   -1.96868e+06    2.21859e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10387e+02   -2.08084e+02    3.02584e+01    4.88278e-06


DD  step 210519999  vol min/aver 0.715  load imb.: force  4.2%  pme mesh/force 0.648
           Step           Time
      210520000   421040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87241e+03    1.95781e+04    1.29481e+04    1.13874e+03   -3.06423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02933e+03    9.30008e+04    4.01369e+05   -2.34139e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62876e+04   -2.44641e+06    4.80989e+05   -1.96542e+06    2.21865e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11834e+02   -2.07778e+02    1.01531e+02    4.95881e-06


DD  step 210524999  vol min/aver 0.722  load imb.: force  4.5%  pme mesh/force 0.652
           Step           Time
      210525000   421050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09133e+03    1.95149e+04    1.29638e+04    1.07695e+03   -3.00883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78538e+03    9.30858e+04    4.01633e+05   -2.34048e+04   -2.97939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65351e+04   -2.44812e+06    4.78439e+05   -1.96968e+06    2.21871e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10180e+02   -2.07616e+02    2.03037e+01    4.98390e-06

Writing checkpoint, step 210527300 at Tue Nov  7 12:46:28 2023



DD  step 210529999  vol min/aver 0.736  load imb.: force  5.0%  pme mesh/force 0.673
           Step           Time
      210530000   421060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79971e+03    1.92212e+04    1.31219e+04    1.21457e+03   -3.04965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92647e+03    9.29486e+04    4.00546e+05   -2.33755e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65613e+04   -2.44617e+06    4.79783e+05   -1.96639e+06    2.21876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.07097e+02    2.93510e+01    4.91281e-06


DD  step 210534999  vol min/aver 0.728  load imb.: force  4.7%  pme mesh/force 0.670
           Step           Time
      210535000   421070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19418e+03    1.92845e+04    1.30124e+04    1.20240e+03   -2.96062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81080e+03    9.29661e+04    4.00843e+05   -2.34155e+04   -2.98037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64333e+04   -2.45000e+06    4.80208e+05   -1.96979e+06    2.21882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11327e+02   -2.07806e+02   -2.72849e+01    5.06450e-06


DD  step 210539999  vol min/aver 0.755  load imb.: force  4.0%  pme mesh/force 0.651
           Step           Time
      210540000   421080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94068e+03    1.93579e+04    1.31359e+04    1.15647e+03   -3.05907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90281e+03    9.32618e+04    3.99108e+05   -2.33659e+04   -2.97560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64537e+04   -2.44670e+06    4.79718e+05   -1.96699e+06    2.21888e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11010e+02   -2.06928e+02   -5.24516e+01    4.87856e-06


DD  step 210544999  vol min/aver 0.685  load imb.: force  3.7%  pme mesh/force 0.648
           Step           Time
      210545000   421090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01036e+03    1.94704e+04    1.29045e+04    1.15048e+03   -2.95818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87805e+03    9.26547e+04    4.01934e+05   -2.34059e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63708e+04   -2.44612e+06    4.77706e+05   -1.96841e+06    2.21894e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09706e+02   -2.07636e+02    7.40922e+01    4.89257e-06


DD  step 210549999  vol min/aver 0.745  load imb.: force  6.2%  pme mesh/force 0.664
           Step           Time
      210550000   421100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18086e+03    1.91507e+04    1.30839e+04    1.15436e+03   -2.97789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80277e+03    9.27062e+04    4.01904e+05   -2.33496e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65520e+04   -2.44607e+06    4.77443e+05   -1.96863e+06    2.21900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09535e+02   -2.06638e+02    4.65040e+01    4.94288e-06


DD  step 210554999  vol min/aver 0.732  load imb.: force  4.4%  pme mesh/force 0.654
           Step           Time
      210555000   421110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98895e+03    1.92573e+04    1.30189e+04    1.25842e+03   -2.99796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82840e+03    9.29438e+04    4.00923e+05   -2.33647e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64619e+04   -2.44830e+06    4.80545e+05   -1.96775e+06    2.21906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11546e+02   -2.06906e+02    1.65356e+01    5.15561e-06


DD  step 210559999  vol min/aver 0.699  load imb.: force  5.1%  pme mesh/force 0.649
           Step           Time
      210560000   421120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00452e+03    1.91517e+04    1.29071e+04    1.27121e+03   -3.04291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77226e+03    9.29621e+04    4.00267e+05   -2.33674e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64835e+04   -2.45011e+06    4.80253e+05   -1.96986e+06    2.21912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11356e+02   -2.06954e+02   -4.56794e+01    5.08703e-06


DD  step 210564999  vol min/aver 0.760  load imb.: force  4.3%  pme mesh/force 0.650
           Step           Time
      210565000   421130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04969e+03    1.98238e+04    1.28969e+04    1.13139e+03   -3.07045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67680e+03    9.31939e+04    4.01322e+05   -2.34118e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64309e+04   -2.44905e+06    4.79596e+05   -1.96946e+06    2.21918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07740e+02    1.89654e+01    5.05746e-06


DD  step 210569999  vol min/aver 0.737  load imb.: force  4.4%  pme mesh/force 0.656
           Step           Time
      210570000   421140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06408e+03    1.92927e+04    1.31003e+04    1.22797e+03   -3.03379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90189e+03    9.25332e+04    3.97669e+05   -2.33947e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65341e+04   -2.44713e+06    4.79944e+05   -1.96718e+06    2.21923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11156e+02   -2.07437e+02   -5.60173e+01    5.18201e-06


DD  step 210574999  vol min/aver 0.752  load imb.: force  5.0%  pme mesh/force 0.662
           Step           Time
      210575000   421150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93696e+03    1.92983e+04    1.30959e+04    1.15608e+03   -2.99174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83391e+03    9.28941e+04    4.02014e+05   -2.34538e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63469e+04   -2.44711e+06    4.78850e+05   -1.96826e+06    2.21929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10447e+02   -2.08485e+02    1.39578e+02    5.03599e-06


DD  step 210579999  vol min/aver 0.730  load imb.: force  4.8%  pme mesh/force 0.665
           Step           Time
      210580000   421160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13374e+03    1.95360e+04    1.30278e+04    1.18194e+03   -3.09046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81307e+03    9.31027e+04    4.02317e+05   -2.33764e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66316e+04   -2.44585e+06    4.79902e+05   -1.96595e+06    2.21935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11129e+02   -2.07113e+02    2.99359e+01    4.96418e-06


DD  step 210584999  vol min/aver 0.731  load imb.: force  3.9%  pme mesh/force 0.645
           Step           Time
      210585000   421170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26239e+03    1.91969e+04    1.29339e+04    1.16300e+03   -2.96825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78511e+03    9.31699e+04    3.99650e+05   -2.33862e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64815e+04   -2.44905e+06    4.78817e+05   -1.97023e+06    2.21941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.07287e+02   -4.05869e+01    5.07556e-06


DD  step 210589999  vol min/aver 0.732  load imb.: force  5.3%  pme mesh/force 0.655
           Step           Time
      210590000   421180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01299e+03    1.96249e+04    1.31760e+04    1.16033e+03   -3.09212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91008e+03    9.30152e+04    4.04987e+05   -2.33941e+04   -2.98218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63785e+04   -2.44740e+06    4.80261e+05   -1.96714e+06    2.21947e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11362e+02   -2.07426e+02    1.69463e+02    5.03372e-06


DD  step 210594999  vol min/aver 0.731  load imb.: force  4.6%  pme mesh/force 0.652
           Step           Time
      210595000   421190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07101e+03    1.97819e+04    1.30160e+04    1.21831e+03   -3.11542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70273e+03    9.26670e+04    4.02418e+05   -2.34012e+04   -2.97860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64874e+04   -2.44675e+06    4.81674e+05   -1.96508e+06    2.21952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12278e+02   -2.07553e+02    5.46600e+01    4.91126e-06


DD  step 210599999  vol min/aver 0.727  load imb.: force  4.0%  pme mesh/force 0.656
           Step           Time
      210600000   421200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97000e+03    1.93366e+04    1.30275e+04    1.15514e+03   -3.15320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89662e+03    9.32845e+04    3.99546e+05   -2.33679e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64523e+04   -2.44667e+06    4.77449e+05   -1.96922e+06    2.21958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09538e+02   -2.06963e+02   -3.07179e+01    5.00445e-06


DD  step 210604999  vol min/aver 0.689  load imb.: force  6.3%  pme mesh/force 0.662
           Step           Time
      210605000   421210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07433e+03    1.95542e+04    1.31081e+04    1.23003e+03   -3.02910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73792e+03    9.29400e+04    4.00923e+05   -2.33665e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64583e+04   -2.44659e+06    4.79065e+05   -1.96752e+06    2.21964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.06938e+02   -1.67572e+01    4.99630e-06


DD  step 210609999  vol min/aver 0.670  load imb.: force  4.1%  pme mesh/force 0.645
           Step           Time
      210610000   421220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94578e+03    1.93135e+04    1.29872e+04    1.22299e+03   -3.03424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90998e+03    9.31370e+04    4.02991e+05   -2.34038e+04   -2.98100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64647e+04   -2.44847e+06    4.79410e+05   -1.96906e+06    2.21969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.07599e+02    7.85601e+01    4.96355e-06


DD  step 210614999  vol min/aver 0.698  load imb.: force  4.0%  pme mesh/force 0.655
           Step           Time
      210615000   421230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17342e+03    1.92111e+04    1.32690e+04    1.19827e+03   -3.17049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81559e+03    9.28477e+04    3.99981e+05   -2.33856e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66762e+04   -2.44522e+06    4.77835e+05   -1.96739e+06    2.21975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09789e+02   -2.07275e+02    1.58205e+01    4.85668e-06


DD  step 210619999  vol min/aver 0.777  load imb.: force  5.1%  pme mesh/force 0.655
           Step           Time
      210620000   421240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95715e+03    1.95336e+04    1.30752e+04    1.21737e+03   -3.13366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70615e+03    9.27941e+04    4.00030e+05   -2.33620e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65189e+04   -2.44900e+06    4.79782e+05   -1.96921e+06    2.21981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.06858e+02   -3.98331e+01    5.06727e-06


DD  step 210624999  vol min/aver 0.717  load imb.: force  4.2%  pme mesh/force 0.650
           Step           Time
      210625000   421250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98402e+03    1.94102e+04    1.30948e+04    1.12099e+03   -3.06509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89654e+03    9.27263e+04    4.01978e+05   -2.34128e+04   -2.98074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64327e+04   -2.44958e+06    4.82659e+05   -1.96692e+06    2.21986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12916e+02   -2.07757e+02    1.21475e+02    5.18218e-06


DD  step 210629999  vol min/aver 0.743  load imb.: force  5.0%  pme mesh/force 0.646
           Step           Time
      210630000   421260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87370e+03    1.92570e+04    1.28750e+04    1.14176e+03   -2.94807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96881e+03    9.33585e+04    3.98955e+05   -2.34520e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65736e+04   -2.45004e+06    4.76506e+05   -1.97353e+06    2.21993e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08927e+02   -2.08453e+02    2.67462e+01    5.03660e-06


DD  step 210634999  vol min/aver 0.726  load imb.: force  4.3%  pme mesh/force 0.645
           Step           Time
      210635000   421270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03738e+03    1.90886e+04    1.29037e+04    1.08331e+03   -3.05581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85019e+03    9.37526e+04    4.00288e+05   -2.34040e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61970e+04   -2.44769e+06    4.77605e+05   -1.97009e+06    2.21999e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09640e+02   -2.07601e+02    8.08475e+00    4.99888e-06


DD  step 210639999  vol min/aver 0.758  load imb.: force  5.1%  pme mesh/force 0.642
           Step           Time
      210640000   421280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98746e+03    1.94079e+04    1.30744e+04    1.19117e+03   -2.96131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75970e+03    9.32662e+04    4.00488e+05   -2.34207e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63658e+04   -2.44879e+06    4.81145e+05   -1.96765e+06    2.22005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11935e+02   -2.07898e+02   -1.72283e+01    5.03064e-06


DD  step 210644999  vol min/aver 0.743  load imb.: force  5.7%  pme mesh/force 0.671
           Step           Time
      210645000   421290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83537e+03    1.95021e+04    1.31092e+04    1.27325e+03   -2.96166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89734e+03    9.29789e+04    4.01511e+05   -2.33810e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64083e+04   -2.44549e+06    4.80840e+05   -1.96465e+06    2.22010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11737e+02   -2.07195e+02    8.08658e+01    5.14463e-06


DD  step 210649999  vol min/aver 0.725  load imb.: force  5.5%  pme mesh/force 0.669
           Step           Time
      210650000   421300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77973e+03    1.93211e+04    1.30900e+04    1.25705e+03   -2.98146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76857e+03    9.29748e+04    3.98279e+05   -2.33565e+04   -2.97279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64995e+04   -2.44516e+06    4.77589e+05   -1.96757e+06    2.22016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09630e+02   -2.06761e+02   -4.05296e+01    5.00686e-06


DD  step 210654999  vol min/aver 0.746  load imb.: force  4.4%  pme mesh/force 0.652
           Step           Time
      210655000   421310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95128e+03    1.95365e+04    1.29874e+04    1.14879e+03   -3.00507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82432e+03    9.30969e+04    3.99384e+05   -2.33897e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67056e+04   -2.44802e+06    4.81184e+05   -1.96683e+06    2.22022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11960e+02   -2.07348e+02   -2.20540e+01    4.93568e-06


DD  step 210659999  vol min/aver 0.705  load imb.: force  5.6%  pme mesh/force 0.670
           Step           Time
      210660000   421320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04970e+03    1.93826e+04    1.28808e+04    1.19094e+03   -2.96318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70513e+03    9.37069e+04    3.99590e+05   -2.33695e+04   -2.97539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64445e+04   -2.44577e+06    4.78187e+05   -1.96758e+06    2.22028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10017e+02   -2.06991e+02   -5.55107e+01    4.98756e-06


DD  step 210664999  vol min/aver 0.750  load imb.: force  4.3%  pme mesh/force 0.682
           Step           Time
      210665000   421330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90179e+03    1.93134e+04    1.30448e+04    1.17684e+03   -3.09782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89949e+03    9.28210e+04    4.00800e+05   -2.33713e+04   -2.98110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62447e+04   -2.45137e+06    4.76608e+05   -1.97476e+06    2.22034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08993e+02   -2.07023e+02   -1.08177e+00    4.90569e-06


DD  step 210669999  vol min/aver 0.721  load imb.: force  6.4%  pme mesh/force 0.678
           Step           Time
      210670000   421340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08482e+03    1.93787e+04    1.30565e+04    1.10219e+03   -3.04742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88343e+03    9.31844e+04    4.01913e+05   -2.33871e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64567e+04   -2.44790e+06    4.79548e+05   -1.96835e+06    2.22039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10899e+02   -2.07302e+02    1.56109e+01    5.06491e-06


DD  step 210674999  vol min/aver 0.739  load imb.: force  5.8%  pme mesh/force 0.671
           Step           Time
      210675000   421350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99754e+03    1.95065e+04    1.31188e+04    1.15421e+03   -3.11863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75487e+03    9.34388e+04    3.99625e+05   -2.34067e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65176e+04   -2.44531e+06    4.80008e+05   -1.96530e+06    2.22045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11198e+02   -2.07649e+02    8.84245e+00    5.09812e-06


DD  step 210679999  vol min/aver 0.705  load imb.: force  5.0%  pme mesh/force 0.663
           Step           Time
      210680000   421360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34560e+03    1.95454e+04    1.31677e+04    1.21418e+03   -3.05970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79917e+03    9.35689e+04    4.02795e+05   -2.33902e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66041e+04   -2.44528e+06    4.79214e+05   -1.96606e+06    2.22052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.07357e+02    6.92585e+01    4.93388e-06


DD  step 210684999  vol min/aver 0.760  load imb.: force  4.8%  pme mesh/force 0.652
           Step           Time
      210685000   421370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85778e+03    1.92619e+04    1.29814e+04    1.18330e+03   -3.02496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79527e+03    9.35097e+04    3.99318e+05   -2.33562e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67811e+04   -2.44471e+06    4.80386e+05   -1.96433e+06    2.22057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11443e+02   -2.06755e+02   -7.05361e+01    5.03968e-06


DD  step 210689999  vol min/aver 0.742  load imb.: force  4.5%  pme mesh/force 0.657
           Step           Time
      210690000   421380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06430e+03    1.87923e+04    1.30531e+04    1.16192e+03   -2.94815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90035e+03    9.35080e+04    4.00259e+05   -2.34241e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65207e+04   -2.44902e+06    4.80551e+05   -1.96847e+06    2.22062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.07957e+02   -8.24158e-01    5.03369e-06


DD  step 210694999  vol min/aver 0.760  load imb.: force  5.4%  pme mesh/force 0.653
           Step           Time
      210695000   421390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94987e+03    1.92457e+04    1.29707e+04    1.17459e+03   -3.02721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92482e+03    9.37711e+04    4.00711e+05   -2.34142e+04   -2.97533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64889e+04   -2.44454e+06    4.80418e+05   -1.96412e+06    2.22068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11463e+02   -2.07782e+02    7.21968e+01    5.12211e-06


DD  step 210699999  vol min/aver 0.747  load imb.: force  5.3%  pme mesh/force 0.662
           Step           Time
      210700000   421400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12900e+03    1.92629e+04    1.30818e+04    1.25790e+03   -3.11519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82462e+03    9.33151e+04    3.95788e+05   -2.33479e+04   -2.97022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66171e+04   -2.44441e+06    4.79304e+05   -1.96511e+06    2.22074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10741e+02   -2.06609e+02   -1.41423e+02    5.17405e-06


DD  step 210704999  vol min/aver 0.700  load imb.: force  4.4%  pme mesh/force 0.657
           Step           Time
      210705000   421410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99885e+03    1.95402e+04    1.30431e+04    1.14373e+03   -2.95186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93029e+03    9.33961e+04    4.00300e+05   -2.33500e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64026e+04   -2.44640e+06    4.78728e+05   -1.96767e+06    2.22080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.06646e+02    3.43339e+01    5.14467e-06


DD  step 210709999  vol min/aver 0.708  load imb.: force  4.0%  pme mesh/force 0.649
           Step           Time
      210710000   421420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02188e+03    1.92822e+04    1.31084e+04    1.14111e+03   -3.01765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78514e+03    9.31668e+04    3.99014e+05   -2.33674e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64037e+04   -2.44944e+06    4.80248e+05   -1.96920e+06    2.22086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11354e+02   -2.06954e+02   -1.29617e+02    5.00712e-06


DD  step 210714999  vol min/aver 0.703  load imb.: force  4.8%  pme mesh/force 0.661
           Step           Time
      210715000   421430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94612e+03    1.95778e+04    1.31559e+04    1.19852e+03   -3.09057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79062e+03    9.39599e+04    4.00762e+05   -2.33770e+04   -2.97830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64805e+04   -2.44690e+06    4.79186e+05   -1.96771e+06    2.22092e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10665e+02   -2.07124e+02    2.42677e+01    5.11217e-06


DD  step 210719999  vol min/aver 0.704  load imb.: force  5.4%  pme mesh/force 0.662
           Step           Time
      210720000   421440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03641e+03    1.94863e+04    1.31583e+04    1.17274e+03   -3.15653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00244e+03    9.34122e+04    3.99679e+05   -2.34252e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65146e+04   -2.44478e+06    4.78359e+05   -1.96642e+06    2.22098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10129e+02   -2.07979e+02    8.26306e+01    4.98581e-06


DD  step 210724999  vol min/aver 0.727  load imb.: force  4.7%  pme mesh/force 0.655
           Step           Time
      210725000   421450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76871e+03    1.96726e+04    1.31190e+04    1.21467e+03   -3.05624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89395e+03    9.36031e+04    3.98881e+05   -2.33738e+04   -2.97336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65835e+04   -2.44406e+06    4.80734e+05   -1.96332e+06    2.22103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11668e+02   -2.07067e+02    3.12697e+01    4.88414e-06


DD  step 210729999  vol min/aver 0.732  load imb.: force  4.8%  pme mesh/force 0.650
           Step           Time
      210730000   421460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96211e+03    1.94411e+04    1.30097e+04    1.13735e+03   -3.13447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80631e+03    9.35326e+04    3.98725e+05   -2.33215e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64174e+04   -2.44699e+06    4.79701e+05   -1.96729e+06    2.22109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10999e+02   -2.06143e+02   -7.01489e+01    5.03543e-06


DD  step 210734999  vol min/aver 0.684  load imb.: force  4.4%  pme mesh/force 0.644
           Step           Time
      210735000   421470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98305e+03    1.95826e+04    1.31617e+04    1.24654e+03   -3.11480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77579e+03    9.29204e+04    3.99985e+05   -2.34106e+04   -2.97563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65856e+04   -2.44591e+06    4.81821e+05   -1.96409e+06    2.22115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12373e+02   -2.07720e+02    2.47719e+01    5.11393e-06


DD  step 210739999  vol min/aver 0.712  load imb.: force  4.6%  pme mesh/force 0.661
           Step           Time
      210740000   421480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88193e+03    1.93355e+04    1.31330e+04    1.19419e+03   -3.02600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81859e+03    9.33807e+04    3.98802e+05   -2.34020e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64313e+04   -2.44874e+06    4.78280e+05   -1.97046e+06    2.22121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10077e+02   -2.07567e+02   -5.17404e+01    4.98859e-06


DD  step 210744999  vol min/aver 0.721  load imb.: force  4.5%  pme mesh/force 0.654
           Step           Time
      210745000   421490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02300e+03    1.99166e+04    1.32841e+04    1.20428e+03   -3.10194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69643e+03    9.30577e+04    3.97819e+05   -2.33673e+04   -2.97282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65622e+04   -2.44473e+06    4.80893e+05   -1.96384e+06    2.22127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11771e+02   -2.06952e+02   -1.02463e+02    5.31704e-06


DD  step 210749999  vol min/aver 0.721  load imb.: force  6.3%  pme mesh/force 0.667
           Step           Time
      210750000   421500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94847e+03    1.90235e+04    1.29897e+04    1.25550e+03   -2.98633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81325e+03    9.32516e+04    4.02962e+05   -2.34222e+04   -2.98044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65013e+04   -2.44810e+06    4.78450e+05   -1.96965e+06    2.22133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10187e+02   -2.07925e+02    7.69285e+01    4.96224e-06


DD  step 210754999  vol min/aver 0.723  load imb.: force  3.5%  pme mesh/force 0.660
           Step           Time
      210755000   421510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96559e+03    1.93849e+04    1.29818e+04    1.21266e+03   -3.11602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76758e+03    9.34131e+04    4.05425e+05   -2.34192e+04   -2.98434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63607e+04   -2.44937e+06    4.80592e+05   -1.96877e+06    2.22139e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.07872e+02    1.99273e+02    4.99360e-06


DD  step 210759999  vol min/aver 0.736  load imb.: force  4.6%  pme mesh/force 0.662
           Step           Time
      210760000   421520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06913e+03    1.96960e+04    1.29826e+04    1.21906e+03   -3.07540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83159e+03    9.34366e+04    3.99714e+05   -2.33961e+04   -2.97559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64992e+04   -2.44562e+06    4.76683e+05   -1.96893e+06    2.22145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09042e+02   -2.07463e+02   -4.01125e+00    5.03003e-06


DD  step 210764999  vol min/aver 0.688  load imb.: force  3.2%  pme mesh/force 0.647
           Step           Time
      210765000   421530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02049e+03    1.95098e+04    1.30143e+04    1.18035e+03   -3.01335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89419e+03    9.32217e+04    3.97864e+05   -2.33498e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67808e+04   -2.44681e+06    4.80109e+05   -1.96670e+06    2.22151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.06642e+02   -5.39375e+01    4.95560e-06


DD  step 210769999  vol min/aver 0.715  load imb.: force  6.9%  pme mesh/force 0.661
           Step           Time
      210770000   421540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09507e+03    1.91984e+04    1.31967e+04    1.20533e+03   -3.13308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80435e+03    9.33226e+04    4.02868e+05   -2.33910e+04   -2.98146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64523e+04   -2.44884e+06    4.79731e+05   -1.96911e+06    2.22157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.07371e+02    3.78270e+01    5.15267e-06


DD  step 210774999  vol min/aver 0.724  load imb.: force  5.0%  pme mesh/force 0.683
           Step           Time
      210775000   421550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95591e+03    1.92376e+04    1.30646e+04    1.22826e+03   -3.03211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79463e+03    9.30244e+04    4.01246e+05   -2.33978e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64962e+04   -2.44818e+06    4.77291e+05   -1.97089e+06    2.22163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09437e+02   -2.07492e+02    3.18234e+01    4.83599e-06


DD  step 210779999  vol min/aver 0.679  load imb.: force  5.0%  pme mesh/force 0.669
           Step           Time
      210780000   421560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00370e+03    1.91365e+04    1.30420e+04    1.20180e+03   -3.01070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73900e+03    9.34238e+04    4.01955e+05   -2.33956e+04   -2.97796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64989e+04   -2.44636e+06    4.79988e+05   -1.96637e+06    2.22167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11185e+02   -2.07452e+02    6.00279e+01    4.95752e-06


DD  step 210784999  vol min/aver 0.727  load imb.: force  4.4%  pme mesh/force 0.666
           Step           Time
      210785000   421570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19194e+03    1.93753e+04    1.30096e+04    1.06744e+03   -3.06451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81574e+03    9.35062e+04    3.98464e+05   -2.33632e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63098e+04   -2.44720e+06    4.77579e+05   -1.96962e+06    2.22174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09623e+02   -2.06880e+02   -1.08378e+02    5.08984e-06


DD  step 210789999  vol min/aver 0.734  load imb.: force  4.5%  pme mesh/force 0.642
           Step           Time
      210790000   421580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02479e+03    1.92546e+04    1.29198e+04    1.16150e+03   -3.03833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85441e+03    9.31143e+04    4.01535e+05   -2.33665e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65581e+04   -2.44647e+06    4.79754e+05   -1.96672e+06    2.22179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11033e+02   -2.06938e+02    1.39314e+00    5.08828e-06


DD  step 210794999  vol min/aver 0.739  load imb.: force  4.7%  pme mesh/force 0.659
           Step           Time
      210795000   421590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14502e+03    1.90511e+04    1.32730e+04    1.18125e+03   -3.10149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80505e+03    9.34167e+04    3.99034e+05   -2.33803e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66301e+04   -2.44781e+06    4.78977e+05   -1.96883e+06    2.22186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10529e+02   -2.07182e+02   -9.55281e+01    5.09609e-06


DD  step 210799999  vol min/aver 0.723  load imb.: force  4.6%  pme mesh/force 0.656
           Step           Time
      210800000   421600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35208e+03    1.93482e+04    1.33051e+04    1.12931e+03   -3.11815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70614e+03    9.37487e+04    4.00497e+05   -2.34306e+04   -2.98062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63744e+04   -2.44970e+06    4.80180e+05   -1.96952e+06    2.22191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.08074e+02   -9.34724e+00    5.29080e-06


DD  step 210804999  vol min/aver 0.730  load imb.: force  4.2%  pme mesh/force 0.646
           Step           Time
      210805000   421610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96212e+03    1.90657e+04    1.30345e+04    1.16194e+03   -3.02367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85825e+03    9.35484e+04    3.98370e+05   -2.34062e+04   -2.97462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65350e+04   -2.44652e+06    4.78419e+05   -1.96810e+06    2.22197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.07640e+02   -2.78327e+01    5.20291e-06


DD  step 210809999  vol min/aver 0.714  load imb.: force  4.8%  pme mesh/force 0.667
           Step           Time
      210810000   421620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18715e+03    1.91421e+04    1.30728e+04    1.13942e+03   -3.05157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85354e+03    9.35532e+04    3.99387e+05   -2.33409e+04   -2.97641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67275e+04   -2.44674e+06    4.79732e+05   -1.96701e+06    2.22203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11019e+02   -2.06485e+02   -3.21345e+01    4.92114e-06


DD  step 210814999  vol min/aver 0.703  load imb.: force  6.5%  pme mesh/force 0.663
           Step           Time
      210815000   421630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16027e+03    1.93946e+04    1.31633e+04    1.12236e+03   -3.18691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82856e+03    9.33705e+04    4.02157e+05   -2.33858e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63657e+04   -2.44712e+06    4.80223e+05   -1.96689e+06    2.22208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.07279e+02    4.83484e+01    5.12352e-06


DD  step 210819999  vol min/aver 0.725  load imb.: force  4.7%  pme mesh/force 0.665
           Step           Time
      210820000   421640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84895e+03    1.93665e+04    1.28861e+04    1.11228e+03   -3.01139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79576e+03    9.31151e+04    4.00013e+05   -2.33987e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65913e+04   -2.44722e+06    4.78172e+05   -1.96905e+06    2.22214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10007e+02   -2.07507e+02    3.95199e+01    5.15453e-06


DD  step 210824999  vol min/aver 0.735  load imb.: force  4.0%  pme mesh/force 0.669
           Step           Time
      210825000   421650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01135e+03    1.91951e+04    1.30106e+04    1.12122e+03   -2.99032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78580e+03    9.33796e+04    4.00325e+05   -2.33631e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66160e+04   -2.44481e+06    4.78675e+05   -1.96613e+06    2.22220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10333e+02   -2.06878e+02   -3.06441e+00    5.17001e-06


DD  step 210829999  vol min/aver 0.722  load imb.: force  4.4%  pme mesh/force 0.663
           Step           Time
      210830000   421660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16999e+03    1.94718e+04    1.30909e+04    1.13696e+03   -3.06779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90906e+03    9.25489e+04    4.00903e+05   -2.33714e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65409e+04   -2.44727e+06    4.77776e+05   -1.96950e+06    2.22226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09751e+02   -2.07025e+02   -2.26891e+01    5.02402e-06


DD  step 210834999  vol min/aver 0.733  load imb.: force  4.4%  pme mesh/force 0.655
           Step           Time
      210835000   421670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92939e+03    1.96097e+04    1.31921e+04    1.20532e+03   -3.02438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84703e+03    9.32711e+04    4.01721e+05   -2.34259e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64330e+04   -2.44537e+06    4.83424e+05   -1.96195e+06    2.22232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13412e+02   -2.07990e+02    4.85428e+01    5.09057e-06


DD  step 210839999  vol min/aver 0.695  load imb.: force  5.2%  pme mesh/force 0.677
           Step           Time
      210840000   421680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01422e+03    1.95835e+04    1.31220e+04    1.17021e+03   -3.15906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80125e+03    9.31630e+04    4.00077e+05   -2.33590e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63281e+04   -2.44706e+06    4.79892e+05   -1.96717e+06    2.22237e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11123e+02   -2.06805e+02   -2.43694e+01    5.00537e-06


step 210840200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 27 min 903 max 1030

DD  step 210844999 load imb.: force 14.1%  pme mesh/force 0.709
           Step           Time
      210845000   421690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21164e+03    1.90869e+04    1.29838e+04    1.09117e+03   -2.98506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82359e+03    9.27751e+04    4.00746e+05   -2.33648e+04   -2.97917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65265e+04   -2.44928e+06    4.81155e+05   -1.96812e+06    2.22243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11941e+02   -2.06907e+02   -3.74061e+01    5.11357e-06


DD  step 210849999 load imb.: force 15.9%  pme mesh/force 0.731
           Step           Time
      210850000   421700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00719e+03    1.91188e+04    1.30358e+04    1.11865e+03   -3.03245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90198e+03    9.34588e+04    3.98441e+05   -2.33506e+04   -2.97414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65422e+04   -2.44590e+06    4.79159e+05   -1.96674e+06    2.22249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10648e+02   -2.06657e+02   -5.77516e+01    4.98197e-06


step 210850200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.2 %.

DD  step 210854999  vol min/aver 0.743  load imb.: force  5.8%  pme mesh/force 0.669
           Step           Time
      210855000   421710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97303e+03    1.91329e+04    1.29402e+04    1.10167e+03   -3.07394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76784e+03    9.40138e+04    4.01343e+05   -2.33782e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65004e+04   -2.44792e+06    4.80675e+05   -1.96725e+06    2.22254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.07145e+02    8.92776e+00    5.22993e-06


DD  step 210859999  vol min/aver 0.704  load imb.: force  4.7%  pme mesh/force 0.663
           Step           Time
      210860000   421720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85985e+03    1.95300e+04    1.29937e+04    1.11853e+03   -3.11260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79758e+03    9.33474e+04    4.00057e+05   -2.33844e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64959e+04   -2.44729e+06    4.80246e+05   -1.96704e+06    2.22260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11352e+02   -2.07255e+02    3.26688e+00    5.16812e-06


DD  step 210864999  vol min/aver 0.666  load imb.: force  4.6%  pme mesh/force 0.664
           Step           Time
      210865000   421730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16455e+03    1.95531e+04    1.30262e+04    1.18124e+03   -3.02631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74902e+03    9.30907e+04    4.01064e+05   -2.33706e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67387e+04   -2.44588e+06    4.79590e+05   -1.96629e+06    2.22266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10927e+02   -2.07010e+02    3.38300e+01    4.98028e-06


DD  step 210869999  vol min/aver 0.697  load imb.: force  4.5%  pme mesh/force 0.667
           Step           Time
      210870000   421740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95489e+03    1.93904e+04    1.31476e+04    1.15611e+03   -3.05572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80355e+03    9.31781e+04    3.98700e+05   -2.33798e+04   -2.97304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64126e+04   -2.44473e+06    4.79120e+05   -1.96561e+06    2.22272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.07173e+02   -3.97832e+01    5.07384e-06


DD  step 210874999  vol min/aver 0.714  load imb.: force  5.2%  pme mesh/force 0.661
           Step           Time
      210875000   421750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06142e+03    1.97102e+04    1.30305e+04    1.24267e+03   -3.11409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80964e+03    9.27797e+04    4.02024e+05   -2.34057e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66170e+04   -2.44739e+06    4.79690e+05   -1.96770e+06    2.22278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10991e+02   -2.07631e+02    6.74045e+01    5.15812e-06


DD  step 210879999  vol min/aver 0.697  load imb.: force  7.7%  pme mesh/force 0.675
           Step           Time
      210880000   421760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02681e+03    1.97659e+04    1.31151e+04    1.11536e+03   -3.08689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75445e+03    9.28843e+04    3.99884e+05   -2.33995e+04   -2.97732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64876e+04   -2.44778e+06    4.80761e+05   -1.96701e+06    2.22284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11686e+02   -2.07522e+02   -4.06210e+01    5.20894e-06


DD  step 210884999  vol min/aver 0.652  load imb.: force  5.1%  pme mesh/force 0.650
           Step           Time
      210885000   421770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07836e+03    1.92039e+04    1.30897e+04    1.12231e+03   -3.04324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81822e+03    9.33345e+04    4.00231e+05   -2.33881e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64362e+04   -2.44851e+06    4.80678e+05   -1.96783e+06    2.22289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11632e+02   -2.07320e+02    7.72632e+00    5.02213e-06


DD  step 210889999  vol min/aver 0.738  load imb.: force  3.7%  pme mesh/force 0.668
           Step           Time
      210890000   421780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88134e+03    1.95589e+04    1.30303e+04    1.12595e+03   -2.92178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89132e+03    9.31383e+04    3.98962e+05   -2.33674e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65868e+04   -2.44742e+06    4.80139e+05   -1.96728e+06    2.22295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.06954e+02   -6.73553e+00    4.94573e-06


DD  step 210894999  vol min/aver 0.663  load imb.: force  4.5%  pme mesh/force 0.654
           Step           Time
      210895000   421790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83380e+03    1.95312e+04    1.30358e+04    1.27088e+03   -3.03948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76588e+03    9.28950e+04    4.01199e+05   -2.33998e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65633e+04   -2.44677e+06    4.78852e+05   -1.96792e+06    2.22300e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.07527e+02    3.03598e+01    5.19654e-06


DD  step 210899999  vol min/aver 0.703  load imb.: force  5.4%  pme mesh/force 0.656
           Step           Time
      210900000   421800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97296e+03    1.93447e+04    1.30161e+04    1.22104e+03   -3.02751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89507e+03    9.28694e+04    3.98418e+05   -2.33731e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66504e+04   -2.44635e+06    4.80291e+05   -1.96606e+06    2.22307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11381e+02   -2.07055e+02   -6.81830e+01    5.12679e-06


DD  step 210904999  vol min/aver 0.668  load imb.: force  5.6%  pme mesh/force 0.659
           Step           Time
      210905000   421810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94379e+03    1.95708e+04    1.29966e+04    1.22206e+03   -3.04656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83829e+03    9.36553e+04    3.98782e+05   -2.33575e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65966e+04   -2.44493e+06    4.80401e+05   -1.96453e+06    2.22312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.06778e+02   -2.21618e+01    5.07224e-06

Writing checkpoint, step 210908350 at Tue Nov  7 13:01:28 2023



DD  step 210909999  vol min/aver 0.698  load imb.: force  4.8%  pme mesh/force 0.645
           Step           Time
      210910000   421820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08035e+03    1.92477e+04    1.30678e+04    1.15176e+03   -3.07686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91757e+03    9.33942e+04    3.99390e+05   -2.33982e+04   -2.97947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64347e+04   -2.45026e+06    4.79916e+05   -1.97034e+06    2.22318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.07499e+02   -6.92606e+01    5.11904e-06


DD  step 210914999  vol min/aver 0.733  load imb.: force  3.9%  pme mesh/force 0.649
           Step           Time
      210915000   421830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62939e+03    1.92358e+04    1.31660e+04    1.13667e+03   -3.03836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76021e+03    9.30682e+04    3.99951e+05   -2.33736e+04   -2.98043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64846e+04   -2.45141e+06    4.78801e+05   -1.97261e+06    2.22323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10415e+02   -2.07063e+02   -5.10987e+01    5.04362e-06


DD  step 210919999  vol min/aver 0.695  load imb.: force  4.8%  pme mesh/force 0.649
           Step           Time
      210920000   421840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95827e+03    1.95866e+04    1.29662e+04    1.17220e+03   -3.16320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94379e+03    9.32734e+04    4.03400e+05   -2.34089e+04   -2.98139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64994e+04   -2.44816e+06    4.80341e+05   -1.96782e+06    2.22329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.07688e+02    6.80121e+01    5.00962e-06


DD  step 210924999  vol min/aver 0.718  load imb.: force  5.3%  pme mesh/force 0.635
           Step           Time
      210925000   421850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07136e+03    1.95510e+04    1.30395e+04    1.15231e+03   -3.15291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79302e+03    9.36307e+04    4.00364e+05   -2.33905e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65088e+04   -2.44869e+06    4.76967e+05   -1.97173e+06    2.22335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09226e+02   -2.07363e+02   -5.16157e+01    5.02224e-06


DD  step 210929999  vol min/aver 0.716  load imb.: force  4.6%  pme mesh/force 0.655
           Step           Time
      210930000   421860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26308e+03    1.93437e+04    1.33180e+04    1.21201e+03   -3.14320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68884e+03    9.30375e+04    3.97613e+05   -2.33822e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63803e+04   -2.44741e+06    4.78821e+05   -1.96859e+06    2.22340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10428e+02   -2.07216e+02   -8.51068e+01    5.09866e-06


DD  step 210934999  vol min/aver 0.715  load imb.: force  5.2%  pme mesh/force 0.667
           Step           Time
      210935000   421870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96167e+03    1.96412e+04    1.31594e+04    1.24520e+03   -3.13575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80698e+03    9.34454e+04    4.01065e+05   -2.33250e+04   -2.97598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65402e+04   -2.44458e+06    4.82754e+05   -1.96183e+06    2.22346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12978e+02   -2.06205e+02    2.33457e+01    4.91276e-06


DD  step 210939999  vol min/aver 0.709  load imb.: force  4.6%  pme mesh/force 0.650
           Step           Time
      210940000   421880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88339e+03    1.95248e+04    1.30455e+04    1.21131e+03   -3.20120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88914e+03    9.36665e+04    4.01100e+05   -2.33431e+04   -2.97872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64451e+04   -2.44749e+06    4.79538e+05   -1.96796e+06    2.22352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10893e+02   -2.06523e+02    3.98458e+01    4.96152e-06


DD  step 210944999  vol min/aver 0.731  load imb.: force  4.4%  pme mesh/force 0.665
           Step           Time
      210945000   421890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89959e+03    1.94344e+04    1.29993e+04    1.23379e+03   -3.11075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95641e+03    9.39471e+04    4.00410e+05   -2.33551e+04   -2.97416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68246e+04   -2.44292e+06    4.79392e+05   -1.96353e+06    2.22358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10798e+02   -2.06735e+02    1.65690e+01    5.20541e-06


DD  step 210949999  vol min/aver 0.741  load imb.: force  5.3%  pme mesh/force 0.669
           Step           Time
      210950000   421900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08796e+03    1.93704e+04    1.29242e+04    1.20386e+03   -3.12378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85471e+03    9.33912e+04    3.97353e+05   -2.33965e+04   -2.97363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64780e+04   -2.44649e+06    4.78629e+05   -1.96786e+06    2.22363e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10304e+02   -2.07468e+02   -6.48883e+01    5.01490e-06


DD  step 210954999  vol min/aver 0.749  load imb.: force  4.4%  pme mesh/force 0.651
           Step           Time
      210955000   421910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06911e+03    1.92584e+04    1.30834e+04    1.23304e+03   -3.07102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80788e+03    9.36024e+04    4.01066e+05   -2.33805e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66262e+04   -2.44554e+06    4.80327e+05   -1.96521e+06    2.22369e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.07186e+02    4.65164e+01    5.00383e-06


DD  step 210959999  vol min/aver 0.713  load imb.: force  4.9%  pme mesh/force 0.655
           Step           Time
      210960000   421920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93682e+03    1.98049e+04    1.32483e+04    1.17105e+03   -3.11978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77015e+03    9.31124e+04    4.01477e+05   -2.33698e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64642e+04   -2.44638e+06    4.80297e+05   -1.96609e+06    2.22375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11385e+02   -2.06996e+02    4.17700e+01    5.01869e-06


DD  step 210964999  vol min/aver 0.719  load imb.: force  4.9%  pme mesh/force 0.659
           Step           Time
      210965000   421930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00323e+03    1.94683e+04    1.29056e+04    1.11867e+03   -3.02990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74072e+03    9.28079e+04    4.01311e+05   -2.34111e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63006e+04   -2.44869e+06    4.81899e+05   -1.96680e+06    2.22380e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12423e+02   -2.07728e+02    8.01910e+00    5.22112e-06


DD  step 210969999  vol min/aver 0.690  load imb.: force  4.5%  pme mesh/force 0.647
           Step           Time
      210970000   421940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97175e+03    1.97034e+04    1.29556e+04    1.24014e+03   -3.08749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77927e+03    9.31612e+04    3.98777e+05   -2.33858e+04   -2.97325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63810e+04   -2.44475e+06    4.78420e+05   -1.96633e+06    2.22386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.07280e+02   -3.90095e+01    4.97091e-06


DD  step 210974999  vol min/aver 0.725  load imb.: force  5.4%  pme mesh/force 0.661
           Step           Time
      210975000   421950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16569e+03    1.95660e+04    1.31152e+04    1.11758e+03   -3.10241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85670e+03    9.29682e+04    4.00400e+05   -2.33468e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65098e+04   -2.44346e+06    4.79322e+05   -1.96413e+06    2.22392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.06589e+02    4.45364e+01    5.02021e-06


DD  step 210979999  vol min/aver 0.746  load imb.: force  5.0%  pme mesh/force 0.660
           Step           Time
      210980000   421960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23659e+03    1.94603e+04    1.31755e+04    1.13256e+03   -3.02855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77509e+03    9.32105e+04    4.01646e+05   -2.33994e+04   -2.97905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65575e+04   -2.44728e+06    4.80431e+05   -1.96685e+06    2.22397e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11472e+02   -2.07521e+02   -1.15225e+01    5.06983e-06


DD  step 210984999  vol min/aver 0.710  load imb.: force  5.0%  pme mesh/force 0.651
           Step           Time
      210985000   421970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20020e+03    1.92531e+04    1.30867e+04    1.21851e+03   -3.14983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70472e+03    9.32132e+04    4.01143e+05   -2.33940e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65451e+04   -2.44820e+06    4.78420e+05   -1.96978e+06    2.22403e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.07425e+02    1.18186e+01    5.10329e-06


DD  step 210989999  vol min/aver 0.706  load imb.: force  4.5%  pme mesh/force 0.654
           Step           Time
      210990000   421980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17538e+03    1.96100e+04    1.30363e+04    1.25143e+03   -3.14542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78199e+03    9.24701e+04    4.01695e+05   -2.33788e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66328e+04   -2.44643e+06    4.77963e+05   -1.96846e+06    2.22409e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09872e+02   -2.07156e+02    2.66998e+01    4.90788e-06


DD  step 210994999  vol min/aver 0.732  load imb.: force  5.5%  pme mesh/force 0.674
           Step           Time
      210995000   421990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11046e+03    1.92686e+04    1.32213e+04    1.18936e+03   -3.11437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99131e+03    9.35371e+04    3.97996e+05   -2.34007e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66380e+04   -2.44731e+06    4.81127e+05   -1.96618e+06    2.22414e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11923e+02   -2.07543e+02   -3.88804e+01    5.00828e-06


step 210996200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 26 min 885 max 1023

DD  step 210999999 load imb.: force 14.5%  pme mesh/force 0.708
           Step           Time
      211000000   422000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17703e+03    1.95393e+04    1.29006e+04    1.20389e+03   -2.95202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88798e+03    9.30596e+04    4.03982e+05   -2.33874e+04   -2.98092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65010e+04   -2.44701e+06    4.81192e+05   -1.96581e+06    2.22421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11966e+02   -2.07309e+02    1.02950e+02    4.95638e-06


DD  step 211004999 load imb.: force 15.5%  pme mesh/force 0.704
           Step           Time
      211005000   422010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19858e+03    1.93437e+04    1.31323e+04    1.17979e+03   -3.09155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73158e+03    9.28719e+04    4.00715e+05   -2.33601e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66181e+04   -2.44835e+06    4.81799e+05   -1.96655e+06    2.22425e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12359e+02   -2.06824e+02   -7.54724e+01    5.08564e-06


step 211005200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.2 %.

DD  step 211009999  vol min/aver 0.696  load imb.: force  5.5%  pme mesh/force 0.649
           Step           Time
      211010000   422020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93702e+03    1.96909e+04    1.29842e+04    1.21924e+03   -3.08102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93955e+03    9.28684e+04    4.00160e+05   -2.34014e+04   -2.97503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63506e+04   -2.44536e+06    4.80299e+05   -1.96506e+06    2.22431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11387e+02   -2.07556e+02    8.90712e+01    5.08366e-06


DD  step 211014999  vol min/aver 0.697  load imb.: force  5.3%  pme mesh/force 0.671
           Step           Time
      211015000   422030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19105e+03    1.98153e+04    1.31435e+04    1.19035e+03   -3.19889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72241e+03    9.30447e+04    4.00828e+05   -2.33917e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65107e+04   -2.44738e+06    4.80487e+05   -1.96690e+06    2.22437e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11508e+02   -2.07385e+02    1.89343e+00    4.89960e-06


DD  step 211019999  vol min/aver 0.689  load imb.: force  4.3%  pme mesh/force 0.674
           Step           Time
      211020000   422040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99677e+03    1.94633e+04    1.29015e+04    1.19307e+03   -3.08019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96314e+03    9.26323e+04    3.98770e+05   -2.33778e+04   -2.97507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65602e+04   -2.44705e+06    4.79765e+05   -1.96728e+06    2.22443e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11040e+02   -2.07138e+02   -8.20831e+01    4.83331e-06


DD  step 211024999  vol min/aver 0.698  load imb.: force  4.2%  pme mesh/force 0.658
           Step           Time
      211025000   422050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00632e+03    1.93365e+04    1.31988e+04    1.21135e+03   -3.06763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84698e+03    9.25397e+04    4.00563e+05   -2.34466e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65192e+04   -2.44802e+06    4.79007e+05   -1.96902e+06    2.22449e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10549e+02   -2.08357e+02    2.51767e+01    5.03152e-06


DD  step 211029999  vol min/aver 0.717  load imb.: force  5.1%  pme mesh/force 0.668
           Step           Time
      211030000   422060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93529e+03    1.96790e+04    1.31207e+04    1.16179e+03   -3.07500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81966e+03    9.31720e+04    4.02075e+05   -2.34393e+04   -2.98175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62972e+04   -2.45001e+06    4.79745e+05   -1.97026e+06    2.22454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.08227e+02    6.09791e+01    5.08467e-06


DD  step 211034999  vol min/aver 0.698  load imb.: force  4.3%  pme mesh/force 0.659
           Step           Time
      211035000   422070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80781e+03    1.94460e+04    1.30934e+04    1.22682e+03   -3.10257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91630e+03    9.31345e+04    4.00855e+05   -2.34024e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65209e+04   -2.44781e+06    4.81900e+05   -1.96591e+06    2.22460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12424e+02   -2.07574e+02    1.74924e+01    5.04038e-06


DD  step 211039999  vol min/aver 0.701  load imb.: force  4.9%  pme mesh/force 0.654
           Step           Time
      211040000   422080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23104e+03    1.96186e+04    1.33276e+04    1.15429e+03   -2.99678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88187e+03    9.29301e+04    4.00390e+05   -2.33997e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64040e+04   -2.44612e+06    4.81095e+05   -1.96502e+06    2.22466e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11903e+02   -2.07526e+02    1.71368e+01    4.99548e-06


DD  step 211044999  vol min/aver 0.711  load imb.: force  4.3%  pme mesh/force 0.651
           Step           Time
      211045000   422090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12492e+03    1.98995e+04    1.31237e+04    1.18571e+03   -3.09890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75753e+03    9.30856e+04    4.01736e+05   -2.33606e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63819e+04   -2.44627e+06    4.80603e+05   -1.96566e+06    2.22472e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11583e+02   -2.06834e+02   -1.10604e+01    5.00356e-06


DD  step 211049999  vol min/aver 0.720  load imb.: force  5.5%  pme mesh/force 0.672
           Step           Time
      211050000   422100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91764e+03    1.97403e+04    1.29929e+04    1.23914e+03   -3.04289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80956e+03    9.32221e+04    4.01244e+05   -2.33558e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65856e+04   -2.44678e+06    4.79384e+05   -1.96740e+06    2.22478e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10793e+02   -2.06749e+02   -9.64340e+00    5.09975e-06


DD  step 211054999  vol min/aver 0.725  load imb.: force  4.9%  pme mesh/force 0.666
           Step           Time
      211055000   422110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23140e+03    1.96904e+04    1.28680e+04    1.29174e+03   -3.08491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85340e+03    9.30859e+04    3.95965e+05   -2.33712e+04   -2.97045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64175e+04   -2.44451e+06    4.80869e+05   -1.96364e+06    2.22483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11756e+02   -2.07020e+02   -6.85664e+01    5.00862e-06


DD  step 211059999  vol min/aver 0.708  load imb.: force  4.1%  pme mesh/force 0.662
           Step           Time
      211060000   422120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18396e+03    1.91672e+04    1.31592e+04    1.18138e+03   -3.14726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82811e+03    9.26533e+04    4.03720e+05   -2.33839e+04   -2.98090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65006e+04   -2.44804e+06    4.78129e+05   -1.96991e+06    2.22489e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09980e+02   -2.07246e+02    1.69958e+01    4.93147e-06


DD  step 211064999  vol min/aver 0.725  load imb.: force  3.9%  pme mesh/force 0.674
           Step           Time
      211065000   422130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10605e+03    1.95890e+04    1.31230e+04    1.19826e+03   -3.02046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83372e+03    9.27209e+04    4.03092e+05   -2.34280e+04   -2.98019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64929e+04   -2.44749e+06    4.81079e+05   -1.96641e+06    2.22495e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11892e+02   -2.08027e+02    1.13227e+02    4.94107e-06


DD  step 211069999  vol min/aver 0.695  load imb.: force  4.6%  pme mesh/force 0.653
           Step           Time
      211070000   422140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19365e+03    1.94993e+04    1.27855e+04    1.12529e+03   -3.02987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75416e+03    9.31190e+04    4.01124e+05   -2.33996e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66298e+04   -2.44883e+06    4.79156e+05   -1.96967e+06    2.22501e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10645e+02   -2.07524e+02   -3.77903e+01    5.00759e-06


DD  step 211074999  vol min/aver 0.714  load imb.: force  5.2%  pme mesh/force 0.653
           Step           Time
      211075000   422150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68588e+03    1.91199e+04    1.30610e+04    1.20095e+03   -2.99100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91153e+03    9.32053e+04    4.01471e+05   -2.34262e+04   -2.98016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63544e+04   -2.44957e+06    4.78277e+05   -1.97129e+06    2.22506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10076e+02   -2.07996e+02    6.14372e+01    4.87307e-06


DD  step 211079999  vol min/aver 0.685  load imb.: force  4.0%  pme mesh/force 0.662
           Step           Time
      211080000   422160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05450e+03    1.92585e+04    1.29789e+04    1.17291e+03   -3.00270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86471e+03    9.33286e+04    4.00552e+05   -2.33548e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65578e+04   -2.44655e+06    4.79769e+05   -1.96678e+06    2.22512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11043e+02   -2.06730e+02   -8.68188e+00    5.10777e-06


DD  step 211084999  vol min/aver 0.760  load imb.: force  4.8%  pme mesh/force 0.655
           Step           Time
      211085000   422170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97613e+03    1.95634e+04    1.28525e+04    1.17093e+03   -3.05154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88122e+03    9.27036e+04    4.00836e+05   -2.33697e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64856e+04   -2.44755e+06    4.79254e+05   -1.96830e+06    2.22518e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.06995e+02    1.74238e+01    5.01886e-06


DD  step 211089999  vol min/aver 0.730  load imb.: force  4.9%  pme mesh/force 0.674
           Step           Time
      211090000   422180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91379e+03    1.96641e+04    1.31165e+04    1.14516e+03   -3.07658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91124e+03    9.28432e+04    4.00270e+05   -2.33561e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65609e+04   -2.44517e+06    4.81011e+05   -1.96416e+06    2.22524e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11848e+02   -2.06754e+02   -2.70937e+01    5.05177e-06


DD  step 211094999  vol min/aver 0.714  load imb.: force  4.1%  pme mesh/force 0.659
           Step           Time
      211095000   422190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80823e+03    1.94259e+04    1.30704e+04    1.19919e+03   -3.06582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87248e+03    9.26741e+04    4.00830e+05   -2.33754e+04   -2.97860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64011e+04   -2.44876e+06    4.78065e+05   -1.97070e+06    2.22529e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.07095e+02   -8.30690e+00    5.01803e-06


DD  step 211099999  vol min/aver 0.698  load imb.: force  3.7%  pme mesh/force 0.641
           Step           Time
      211100000   422200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01305e+03    1.98911e+04    1.29488e+04    1.20914e+03   -3.01088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78686e+03    9.26734e+04    4.02497e+05   -2.34249e+04   -2.98061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63724e+04   -2.44865e+06    4.81969e+05   -1.96668e+06    2.22535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12469e+02   -2.07972e+02    7.13980e+01    5.05310e-06


DD  step 211104999  vol min/aver 0.730  load imb.: force  5.6%  pme mesh/force 0.652
           Step           Time
      211105000   422210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01280e+03    1.94803e+04    1.30441e+04    1.14336e+03   -3.11043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77117e+03    9.31165e+04    4.00791e+05   -2.33851e+04   -2.97988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65595e+04   -2.44945e+06    4.77418e+05   -1.97204e+06    2.22541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09519e+02   -2.07267e+02   -5.14716e+01    4.91199e-06


DD  step 211109999  vol min/aver 0.706  load imb.: force  4.3%  pme mesh/force 0.650
           Step           Time
      211110000   422220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17715e+03    1.98826e+04    1.28893e+04    1.24004e+03   -3.01114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75865e+03    9.31418e+04    4.00941e+05   -2.34028e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63781e+04   -2.44591e+06    4.80935e+05   -1.96497e+06    2.22547e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11799e+02   -2.07581e+02    4.56127e+01    4.88496e-06


DD  step 211114999  vol min/aver 0.734  load imb.: force  5.0%  pme mesh/force 0.663
           Step           Time
      211115000   422230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75903e+03    1.92709e+04    1.31042e+04    1.20939e+03   -3.03311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81686e+03    9.33675e+04    4.02010e+05   -2.34128e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63890e+04   -2.44744e+06    4.79597e+05   -1.96785e+06    2.22552e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07757e+02    5.39688e+01    5.15473e-06


DD  step 211119999  vol min/aver 0.707  load imb.: force  4.8%  pme mesh/force 0.653
           Step           Time
      211120000   422240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31591e+03    1.95568e+04    1.28045e+04    1.20845e+03   -2.97510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87527e+03    9.28529e+04    3.99560e+05   -2.32955e+04   -2.97398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67047e+04   -2.44437e+06    4.79648e+05   -1.96472e+06    2.22559e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10964e+02   -2.05684e+02   -4.91689e+01    5.08570e-06


DD  step 211124999  vol min/aver 0.723  load imb.: force  5.0%  pme mesh/force 0.656
           Step           Time
      211125000   422250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82871e+03    1.96707e+04    1.29370e+04    1.18348e+03   -2.99087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88978e+03    9.31984e+04    3.98103e+05   -2.33813e+04   -2.97433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62395e+04   -2.44665e+06    4.81285e+05   -1.96537e+06    2.22564e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12026e+02   -2.07200e+02   -1.63108e+01    4.99310e-06


DD  step 211129999  vol min/aver 0.692  load imb.: force  5.9%  pme mesh/force 0.672
           Step           Time
      211130000   422260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04999e+03    1.96626e+04    1.29939e+04    1.14019e+03   -2.96231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92417e+03    9.24832e+04    3.99551e+05   -2.33757e+04   -2.97437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64489e+04   -2.44546e+06    4.79494e+05   -1.96596e+06    2.22571e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.07101e+02    1.57014e+01    4.99003e-06


DD  step 211134999  vol min/aver 0.726  load imb.: force  4.5%  pme mesh/force 0.662
           Step           Time
      211135000   422270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12175e+03    1.94092e+04    1.31135e+04    1.13847e+03   -3.15510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73221e+03    9.30144e+04    4.06081e+05   -2.34159e+04   -2.98324e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64393e+04   -2.44776e+06    4.77785e+05   -1.96997e+06    2.22576e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09757e+02   -2.07813e+02    1.55884e+02    4.98498e-06


DD  step 211139999  vol min/aver 0.733  load imb.: force  4.3%  pme mesh/force 0.666
           Step           Time
      211140000   422280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15623e+03    1.97073e+04    1.29398e+04    1.12296e+03   -3.10021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77318e+03    9.30881e+04    4.01976e+05   -2.33640e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62460e+04   -2.44445e+06    4.80400e+05   -1.96405e+06    2.22582e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11452e+02   -2.06894e+02    4.66995e+01    4.95433e-06


DD  step 211144999  vol min/aver 0.735  load imb.: force  4.6%  pme mesh/force 0.675
           Step           Time
      211145000   422290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26307e+03    1.93244e+04    1.30240e+04    1.17144e+03   -2.98744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84478e+03    9.29092e+04    4.03170e+05   -2.33618e+04   -2.97997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61686e+04   -2.44745e+06    4.81479e+05   -1.96597e+06    2.22587e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12151e+02   -2.06856e+02    4.62173e+01    5.10159e-06


DD  step 211149999  vol min/aver 0.736  load imb.: force  4.0%  pme mesh/force 0.658
           Step           Time
      211150000   422300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96560e+03    1.90423e+04    1.29458e+04    1.13513e+03   -3.09118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90960e+03    9.33243e+04    4.00279e+05   -2.33931e+04   -2.97678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64215e+04   -2.44724e+06    4.77459e+05   -1.96978e+06    2.22593e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09545e+02   -2.07409e+02    9.65286e-01    4.97163e-06


DD  step 211154999  vol min/aver 0.732  load imb.: force  5.1%  pme mesh/force 0.654
           Step           Time
      211155000   422310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10287e+03    1.90911e+04    1.30338e+04    1.18757e+03   -3.00656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87072e+03    9.34019e+04    4.01136e+05   -2.34175e+04   -2.98105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65855e+04   -2.45006e+06    4.80582e+05   -1.96948e+06    2.22599e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11570e+02   -2.07841e+02    4.89817e+01    4.98519e-06


DD  step 211159999  vol min/aver 0.719  load imb.: force  5.2%  pme mesh/force 0.673
           Step           Time
      211160000   422320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85293e+03    1.97538e+04    1.30909e+04    1.20084e+03   -3.00729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89360e+03    9.23074e+04    4.00494e+05   -2.33572e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65847e+04   -2.44881e+06    4.78893e+05   -1.96992e+06    2.22605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.06774e+02    5.13277e+00    5.06235e-06


DD  step 211164999  vol min/aver 0.688  load imb.: force  3.7%  pme mesh/force 0.645
           Step           Time
      211165000   422330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02389e+03    1.93602e+04    1.28521e+04    1.12684e+03   -3.06756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92201e+03    9.36898e+04    3.99612e+05   -2.33597e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65334e+04   -2.44409e+06    4.78076e+05   -1.96602e+06    2.22611e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09945e+02   -2.06818e+02    1.36333e+01    5.01934e-06


DD  step 211169999  vol min/aver 0.723  load imb.: force  5.8%  pme mesh/force 0.667
           Step           Time
      211170000   422340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16254e+03    1.96742e+04    1.30286e+04    1.14507e+03   -3.04436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78645e+03    9.29493e+04    4.00266e+05   -2.33429e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67130e+04   -2.44508e+06    4.78126e+05   -1.96695e+06    2.22616e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09978e+02   -2.06520e+02   -3.53789e+01    5.00520e-06


DD  step 211174999  vol min/aver 0.720  load imb.: force  5.3%  pme mesh/force 0.661
           Step           Time
      211175000   422350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04363e+03    1.95495e+04    1.32338e+04    1.17188e+03   -3.11168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76364e+03    9.31142e+04    4.04657e+05   -2.34065e+04   -2.98394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63810e+04   -2.44955e+06    4.78642e+05   -1.97090e+06    2.22622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.07647e+02    8.64650e+01    4.97130e-06


DD  step 211179999  vol min/aver 0.694  load imb.: force  3.8%  pme mesh/force 0.646
           Step           Time
      211180000   422360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11970e+03    1.92386e+04    1.32170e+04    1.15598e+03   -3.20381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79829e+03    9.30297e+04    3.99576e+05   -2.34335e+04   -2.97575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66216e+04   -2.44663e+06    4.80018e+05   -1.96662e+06    2.22627e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11204e+02   -2.08125e+02   -1.74631e+01    4.86640e-06


DD  step 211184999  vol min/aver 0.701  load imb.: force  5.0%  pme mesh/force 0.672
           Step           Time
      211185000   422370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37386e+03    1.91985e+04    1.30686e+04    1.15076e+03   -3.08669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89953e+03    9.32209e+04    3.99790e+05   -2.33978e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65969e+04   -2.44755e+06    4.81144e+05   -1.96640e+06    2.22633e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11934e+02   -2.07493e+02   -8.80099e+00    4.97419e-06


DD  step 211189999  vol min/aver 0.727  load imb.: force  4.8%  pme mesh/force 0.655
           Step           Time
      211190000   422380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10531e+03    1.94821e+04    1.31464e+04    1.18849e+03   -3.11046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77478e+03    9.29562e+04    3.97276e+05   -2.33815e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67114e+04   -2.44693e+06    4.80181e+05   -1.96675e+06    2.22639e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.07204e+02   -1.17737e+02    4.95681e-06


DD  step 211194999  vol min/aver 0.707  load imb.: force  4.3%  pme mesh/force 0.653
           Step           Time
      211195000   422390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79757e+03    1.97218e+04    1.32051e+04    1.11317e+03   -3.08085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92524e+03    9.31168e+04    4.01664e+05   -2.34021e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63543e+04   -2.44727e+06    4.77098e+05   -1.97017e+06    2.22645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09311e+02   -2.07568e+02    1.02854e+02    5.03958e-06


DD  step 211199999  vol min/aver 0.701  load imb.: force  5.0%  pme mesh/force 0.661
           Step           Time
      211200000   422400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06583e+03    1.93620e+04    1.32642e+04    1.14906e+03   -3.04349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72938e+03    9.32102e+04    3.98051e+05   -2.33837e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65172e+04   -2.44737e+06    4.78282e+05   -1.96909e+06    2.22650e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10079e+02   -2.07242e+02   -6.14444e+01    5.18256e-06


DD  step 211204999  vol min/aver 0.712  load imb.: force  4.5%  pme mesh/force 0.656
           Step           Time
      211205000   422410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12813e+03    1.94185e+04    1.31528e+04    1.07089e+03   -3.14416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73834e+03    9.32112e+04    3.99858e+05   -2.33906e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65077e+04   -2.44840e+06    4.77466e+05   -1.97094e+06    2.22656e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09550e+02   -2.07364e+02   -5.28028e+01    4.97007e-06


DD  step 211209999  vol min/aver 0.680  load imb.: force 10.1%  pme mesh/force 0.737
           Step           Time
      211210000   422420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14612e+03    1.97078e+04    1.29151e+04    1.16004e+03   -3.04982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81412e+03    9.27534e+04    3.99188e+05   -2.33760e+04   -2.97593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66678e+04   -2.44700e+06    4.79770e+05   -1.96723e+06    2.22662e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11044e+02   -2.07106e+02   -2.35518e+01    5.07149e-06


DD  step 211214999  vol min/aver 0.713  load imb.: force  4.4%  pme mesh/force 0.655
           Step           Time
      211215000   422430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06495e+03    1.96971e+04    1.28452e+04    1.19851e+03   -3.02537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87692e+03    9.31518e+04    4.02648e+05   -2.33698e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65602e+04   -2.44541e+06    4.80642e+05   -1.96477e+06    2.22668e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11609e+02   -2.06996e+02    5.62055e+01    5.10064e-06


DD  step 211219999  vol min/aver 0.686  load imb.: force  5.5%  pme mesh/force 0.665
           Step           Time
      211220000   422440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07063e+03    1.98045e+04    1.29725e+04    1.11485e+03   -3.11145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74808e+03    9.26029e+04    4.00370e+05   -2.34382e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63080e+04   -2.44825e+06    4.79026e+05   -1.96922e+06    2.22673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10561e+02   -2.08207e+02    5.30685e-01    5.01800e-06


DD  step 211224999  vol min/aver 0.677  load imb.: force  4.6%  pme mesh/force 0.663
           Step           Time
      211225000   422450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76086e+03    1.96180e+04    1.29965e+04    1.14857e+03   -2.99600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79383e+03    9.23657e+04    3.95454e+05   -2.33494e+04   -2.97166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66201e+04   -2.44725e+06    4.78844e+05   -1.96840e+06    2.22679e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10443e+02   -2.06635e+02   -1.51807e+02    5.02768e-06


DD  step 211229999  vol min/aver 0.692  load imb.: force  4.9%  pme mesh/force 0.661
           Step           Time
      211230000   422460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37382e+03    1.91575e+04    1.30812e+04    1.17578e+03   -2.98471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72611e+03    9.27766e+04    3.98493e+05   -2.33476e+04   -2.97339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63974e+04   -2.44555e+06    4.78553e+05   -1.96699e+06    2.22685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10255e+02   -2.06604e+02   -5.64297e+01    5.13586e-06


DD  step 211234999  vol min/aver 0.685  load imb.: force  4.5%  pme mesh/force 0.657
           Step           Time
      211235000   422470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09864e+03    1.96337e+04    1.30431e+04    1.23136e+03   -3.05413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72778e+03    9.25984e+04    3.99205e+05   -2.33622e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67251e+04   -2.44621e+06    4.79895e+05   -1.96632e+06    2.22690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11125e+02   -2.06862e+02   -8.72887e+00    5.00017e-06


DD  step 211239999  vol min/aver 0.699  load imb.: force  4.2%  pme mesh/force 0.646
           Step           Time
      211240000   422480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97224e+03    1.91733e+04    1.29362e+04    1.27484e+03   -3.05447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79277e+03    9.31654e+04    4.02510e+05   -2.33924e+04   -2.98050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63879e+04   -2.44874e+06    4.79116e+05   -1.96962e+06    2.22696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10619e+02   -2.07396e+02    6.89663e+01    5.00942e-06


DD  step 211244999  vol min/aver 0.676  load imb.: force  3.5%  pme mesh/force 0.651
           Step           Time
      211245000   422490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00325e+03    1.91262e+04    1.28764e+04    1.16194e+03   -2.90488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93030e+03    9.26344e+04    4.01362e+05   -2.33832e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65596e+04   -2.44824e+06    4.79544e+05   -1.96870e+06    2.22702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.07233e+02   -3.30301e+00    5.00795e-06


DD  load balancing is limited by minimum cell size in dimension Y
DD  step 211249999  vol min/aver 0.689! load imb.: force 38.5%  pme mesh/force 0.902
           Step           Time
      211250000   422500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24090e+03    1.91430e+04    1.30831e+04    1.17476e+03   -3.05031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90166e+03    9.32027e+04    4.03429e+05   -2.33960e+04   -2.98063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63950e+04   -2.44750e+06    4.79393e+05   -1.96811e+06    2.22708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.07460e+02    7.03193e+01    5.08068e-06


step 211250200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 27 min 900 max 1055

DD  step 211254999 load imb.: force 14.1%  pme mesh/force 0.722
           Step           Time
      211255000   422510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02433e+03    1.91581e+04    1.30178e+04    1.31254e+03   -3.01868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77712e+03    9.32305e+04    3.99651e+05   -2.33656e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63529e+04   -2.44565e+06    4.78345e+05   -1.96731e+06    2.22713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10119e+02   -2.06922e+02    2.32238e+01    5.19978e-06


DD  step 211259999 load imb.: force 14.0%  pme mesh/force 0.732
           Step           Time
      211260000   422520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07093e+03    1.97211e+04    1.30080e+04    1.19316e+03   -3.09987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87204e+03    9.30069e+04    3.99106e+05   -2.33814e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64693e+04   -2.44630e+06    4.81762e+05   -1.96454e+06    2.22719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12335e+02   -2.07201e+02   -2.13331e+01    5.09802e-06


step 211260200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.2 %.

DD  step 211264999  vol min/aver 0.736  load imb.: force  5.1%  pme mesh/force 0.657
           Step           Time
      211265000   422530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.40448e+03    1.94714e+04    1.31408e+04    1.16010e+03   -3.09933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73904e+03    9.28642e+04    4.01599e+05   -2.34326e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64823e+04   -2.44677e+06    4.78288e+05   -1.96848e+06    2.22725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.08108e+02    4.73572e+01    5.10796e-06


DD  step 211269999  vol min/aver 0.711  load imb.: force  3.2%  pme mesh/force 0.645
           Step           Time
      211270000   422540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01416e+03    1.91989e+04    1.30206e+04    1.22060e+03   -2.97128e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81385e+03    9.22137e+04    3.99957e+05   -2.34225e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65740e+04   -2.44813e+06    4.78427e+05   -1.96970e+06    2.22731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10173e+02   -2.07929e+02    3.09026e+01    5.28286e-06


DD  step 211274999  vol min/aver 0.722  load imb.: force  4.2%  pme mesh/force 0.656
           Step           Time
      211275000   422550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01411e+03    1.96090e+04    1.31140e+04    1.24063e+03   -3.06252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02011e+03    9.21604e+04    3.99558e+05   -2.33704e+04   -2.97388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64338e+04   -2.44516e+06    4.78812e+05   -1.96635e+06    2.22737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10422e+02   -2.07007e+02    2.08278e+00    5.06451e-06


DD  step 211279999  vol min/aver 0.712  load imb.: force  3.7%  pme mesh/force 0.692
           Step           Time
      211280000   422560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06226e+03    1.96075e+04    1.31255e+04    1.23347e+03   -2.95855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86262e+03    9.25978e+04    3.99135e+05   -2.33565e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65928e+04   -2.44809e+06    4.78930e+05   -1.96916e+06    2.22742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10499e+02   -2.06762e+02   -1.05253e+02    5.00374e-06


DD  step 211284999  vol min/aver 0.707  load imb.: force  4.0%  pme mesh/force 0.662
           Step           Time
      211285000   422570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02293e+03    1.97033e+04    1.31594e+04    1.20292e+03   -3.03202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80563e+03    9.29743e+04    4.00111e+05   -2.34050e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64339e+04   -2.44690e+06    4.78833e+05   -1.96807e+06    2.22748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10436e+02   -2.07620e+02    2.46797e+01    5.11295e-06

Writing checkpoint, step 211288250 at Tue Nov  7 13:16:28 2023



DD  step 211289999  vol min/aver 0.728  load imb.: force  5.0%  pme mesh/force 0.657
           Step           Time
      211290000   422580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82899e+03    1.91488e+04    1.31832e+04    1.23078e+03   -3.08919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94868e+03    9.31697e+04    4.00396e+05   -2.34223e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64981e+04   -2.44788e+06    4.77731e+05   -1.97015e+06    2.22753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09721e+02   -2.07927e+02    4.09801e+01    5.01280e-06


DD  step 211294999  vol min/aver 0.729  load imb.: force  6.6%  pme mesh/force 0.702
           Step           Time
      211295000   422590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24330e+03    1.93972e+04    1.30321e+04    1.13463e+03   -3.10410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80549e+03    9.28066e+04    4.01012e+05   -2.34102e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63091e+04   -2.44857e+06    4.79967e+05   -1.96860e+06    2.22760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.07712e+02   -9.08986e+00    5.04155e-06


DD  step 211299999  vol min/aver 0.752  load imb.: force  5.5%  pme mesh/force 0.655
           Step           Time
      211300000   422600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89251e+03    1.92066e+04    1.30233e+04    1.19300e+03   -3.18682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81020e+03    9.35604e+04    4.00998e+05   -2.33918e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67702e+04   -2.44778e+06    4.79537e+05   -1.96824e+06    2.22765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10893e+02   -2.07386e+02    3.06423e+01    5.22056e-06


DD  step 211304999  vol min/aver 0.740  load imb.: force  4.5%  pme mesh/force 0.663
           Step           Time
      211305000   422610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11067e+03    1.91826e+04    1.30516e+04    1.22163e+03   -3.01068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93885e+03    9.30403e+04    3.99711e+05   -2.33857e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65131e+04   -2.44669e+06    4.80127e+05   -1.96656e+06    2.22771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07277e+02    6.16405e+00    5.11156e-06


DD  step 211309999  vol min/aver 0.679  load imb.: force  4.5%  pme mesh/force 0.658
           Step           Time
      211310000   422620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25884e+03    1.96214e+04    1.28915e+04    1.15267e+03   -3.13366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74060e+03    9.21960e+04    3.99112e+05   -2.33527e+04   -2.97395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63173e+04   -2.44614e+06    4.79948e+05   -1.96620e+06    2.22777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11159e+02   -2.06694e+02   -7.46830e+01    5.17066e-06


DD  step 211314999  vol min/aver 0.743  load imb.: force  4.2%  pme mesh/force 0.649
           Step           Time
      211315000   422630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84891e+03    1.93999e+04    1.31722e+04    1.10003e+03   -3.12463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76384e+03    9.30146e+04    4.00812e+05   -2.33751e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66094e+04   -2.44744e+06    4.82707e+05   -1.96474e+06    2.22782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12947e+02   -2.07091e+02    2.90128e+01    5.23159e-06


DD  step 211319999  vol min/aver 0.719  load imb.: force  5.0%  pme mesh/force 0.649
           Step           Time
      211320000   422640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98724e+03    1.97241e+04    1.30397e+04    1.12527e+03   -3.17479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78917e+03    9.28464e+04    4.01733e+05   -2.33585e+04   -2.98036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66493e+04   -2.44900e+06    4.81824e+05   -1.96718e+06    2.22788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12375e+02   -2.06797e+02    3.70477e+00    4.89901e-06


DD  step 211324999  vol min/aver 0.704  load imb.: force  5.4%  pme mesh/force 0.668
           Step           Time
      211325000   422650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05986e+03    1.91942e+04    1.31021e+04    1.24096e+03   -3.02928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80897e+03    9.26716e+04    4.02142e+05   -2.33404e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68080e+04   -2.44578e+06    4.77094e+05   -1.96868e+06    2.22794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09309e+02   -2.06476e+02    2.41318e+01    4.97332e-06


DD  step 211329999  vol min/aver 0.741  load imb.: force  4.0%  pme mesh/force 0.654
           Step           Time
      211330000   422660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90606e+03    1.92283e+04    1.30409e+04    1.21581e+03   -2.99896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92951e+03    9.27239e+04    3.99878e+05   -2.34216e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65645e+04   -2.44898e+06    4.79538e+05   -1.96944e+06    2.22800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10893e+02   -2.07914e+02    5.48108e+01    4.95037e-06


DD  step 211334999  vol min/aver 0.724  load imb.: force  4.4%  pme mesh/force 0.654
           Step           Time
      211335000   422670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23528e+03    1.94698e+04    1.30224e+04    1.12981e+03   -3.08497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72120e+03    9.27617e+04    4.02712e+05   -2.34129e+04   -2.98131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66861e+04   -2.44907e+06    4.81024e+05   -1.96804e+06    2.22805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11856e+02   -2.07760e+02    6.07584e+01    5.07662e-06


DD  step 211339999  vol min/aver 0.703  load imb.: force  5.4%  pme mesh/force 0.673
           Step           Time
      211340000   422680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98858e+03    1.93359e+04    1.29796e+04    1.19073e+03   -3.06329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93505e+03    9.25468e+04    4.00723e+05   -2.33474e+04   -2.97851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66230e+04   -2.44860e+06    4.80640e+05   -1.96796e+06    2.22811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11607e+02   -2.06600e+02    3.45834e+00    5.06683e-06


DD  step 211344999  vol min/aver 0.735  load imb.: force  4.9%  pme mesh/force 0.665
           Step           Time
      211345000   422690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07803e+03    1.94551e+04    1.30027e+04    1.21873e+03   -3.15551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89414e+03    9.28946e+04    4.00596e+05   -2.34162e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64784e+04   -2.44523e+06    4.78672e+05   -1.96655e+06    2.22817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10332e+02   -2.07818e+02    8.31143e+01    5.12130e-06


DD  step 211349999  vol min/aver 0.738  load imb.: force  6.3%  pme mesh/force 0.652
           Step           Time
      211350000   422700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26439e+03    1.95425e+04    1.30052e+04    1.14674e+03   -3.14475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80889e+03    9.22677e+04    4.01973e+05   -2.33732e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66251e+04   -2.44833e+06    4.78051e+05   -1.97028e+06    2.22823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09929e+02   -2.07057e+02   -1.73125e+01    4.89037e-06


DD  step 211354999  vol min/aver 0.751  load imb.: force  4.7%  pme mesh/force 0.668
           Step           Time
      211355000   422710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88990e+03    1.96870e+04    1.30420e+04    1.22518e+03   -2.96053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84419e+03    9.26218e+04    3.99712e+05   -2.33634e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64823e+04   -2.44595e+06    4.80508e+05   -1.96544e+06    2.22828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11522e+02   -2.06883e+02   -4.02737e+01    5.26317e-06


DD  step 211359999  vol min/aver 0.713  load imb.: force  4.7%  pme mesh/force 0.652
           Step           Time
      211360000   422720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00348e+03    1.94876e+04    1.31759e+04    1.22387e+03   -3.12593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80726e+03    9.26644e+04    3.99764e+05   -2.33861e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64931e+04   -2.44741e+06    4.80624e+05   -1.96678e+06    2.22834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11597e+02   -2.07284e+02   -4.11661e+01    5.04849e-06


DD  step 211364999  vol min/aver 0.705  load imb.: force  5.7%  pme mesh/force 0.664
           Step           Time
      211365000   422730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96279e+03    1.89629e+04    1.31282e+04    1.13843e+03   -3.13308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86875e+03    9.26318e+04    4.01242e+05   -2.33583e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65654e+04   -2.44876e+06    4.77432e+05   -1.97133e+06    2.22840e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09528e+02   -2.06793e+02   -4.06271e+01    5.28855e-06


DD  step 211369999  vol min/aver 0.720  load imb.: force  4.3%  pme mesh/force 0.646
           Step           Time
      211370000   422740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24894e+03    1.95298e+04    1.31878e+04    1.26865e+03   -3.13105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80232e+03    9.24296e+04    3.96177e+05   -2.33871e+04   -2.97065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66582e+04   -2.44486e+06    4.81512e+05   -1.96335e+06    2.22846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12173e+02   -2.07302e+02   -9.60772e+01    5.05547e-06


DD  step 211374999  vol min/aver 0.705  load imb.: force  4.8%  pme mesh/force 0.652
           Step           Time
      211375000   422750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19418e+03    1.96021e+04    1.31524e+04    1.16053e+03   -3.06567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74626e+03    9.20655e+04    4.02451e+05   -2.33789e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64198e+04   -2.44679e+06    4.81762e+05   -1.96503e+06    2.22851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12335e+02   -2.07158e+02    7.10347e+00    5.05683e-06


DD  step 211379999  vol min/aver 0.704  load imb.: force  4.4%  pme mesh/force 0.644
           Step           Time
      211380000   422760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05988e+03    1.93428e+04    1.32324e+04    1.18964e+03   -3.10612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83103e+03    9.26083e+04    4.04364e+05   -2.34438e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64785e+04   -2.44816e+06    4.81528e+05   -1.96663e+06    2.22857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.08308e+02    1.23619e+02    4.95144e-06


DD  step 211384999  vol min/aver 0.709  load imb.: force  4.7%  pme mesh/force 0.657
           Step           Time
      211385000   422770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07876e+03    1.91849e+04    1.30279e+04    1.18475e+03   -3.05003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79261e+03    9.28818e+04    4.01525e+05   -2.33572e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63996e+04   -2.44847e+06    4.79135e+05   -1.96934e+06    2.22863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.06773e+02   -7.37944e+01    4.94235e-06


DD  step 211389999  vol min/aver 0.702  load imb.: force  3.9%  pme mesh/force 0.643
           Step           Time
      211390000   422780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08286e+03    1.93113e+04    1.30489e+04    1.20987e+03   -3.04247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84287e+03    9.26930e+04    4.02326e+05   -2.33646e+04   -2.97950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63378e+04   -2.44806e+06    4.79550e+05   -1.96851e+06    2.22869e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.06905e+02    2.69124e+00    5.04640e-06


DD  step 211394999  vol min/aver 0.711  load imb.: force  4.5%  pme mesh/force 0.651
           Step           Time
      211395000   422790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87906e+03    1.94339e+04    1.29277e+04    1.29310e+03   -3.16967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99937e+03    9.29712e+04    4.00766e+05   -2.33365e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64868e+04   -2.44660e+06    4.80330e+05   -1.96627e+06    2.22875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11406e+02   -2.06408e+02    4.41008e+00    4.95143e-06


DD  step 211399999  vol min/aver 0.712  load imb.: force  4.8%  pme mesh/force 0.663
           Step           Time
      211400000   422800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11539e+03    1.94428e+04    1.29384e+04    1.24041e+03   -3.03489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81184e+03    9.31030e+04    3.97903e+05   -2.33691e+04   -2.97352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63259e+04   -2.44605e+06    4.79640e+05   -1.96641e+06    2.22881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10959e+02   -2.06984e+02   -8.46019e+01    4.90291e-06


DD  step 211404999  vol min/aver 0.678  load imb.: force  3.9%  pme mesh/force 0.658
           Step           Time
      211405000   422810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00003e+03    1.91293e+04    1.31379e+04    1.17692e+03   -3.08680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79382e+03    9.22752e+04    4.02549e+05   -2.33803e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65468e+04   -2.44772e+06    4.78934e+05   -1.96879e+06    2.22886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10501e+02   -2.07183e+02    2.30293e+01    4.92585e-06


DD  step 211409999  vol min/aver 0.741  load imb.: force  4.9%  pme mesh/force 0.663
           Step           Time
      211410000   422820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91860e+03    1.98895e+04    1.31957e+04    1.25019e+03   -3.17323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90213e+03    9.23041e+04    3.98950e+05   -2.33828e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63757e+04   -2.44864e+06    4.80361e+05   -1.96828e+06    2.22892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11427e+02   -2.07227e+02   -4.47541e+01    5.17486e-06


DD  step 211414999  vol min/aver 0.736  load imb.: force  4.6%  pme mesh/force 0.651
           Step           Time
      211415000   422830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00354e+03    1.93457e+04    1.30879e+04    1.15843e+03   -3.01665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91876e+03    9.25780e+04    4.02283e+05   -2.34025e+04   -2.98183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65302e+04   -2.45035e+06    4.79460e+05   -1.97089e+06    2.22898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07575e+02    4.43101e+01    5.12287e-06


DD  step 211419999  vol min/aver 0.714  load imb.: force  4.5%  pme mesh/force 0.658
           Step           Time
      211420000   422840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86847e+03    1.93810e+04    1.31741e+04    1.21185e+03   -3.18029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84062e+03    9.27019e+04    4.00687e+05   -2.33956e+04   -2.98005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65166e+04   -2.45025e+06    4.81563e+05   -1.96868e+06    2.22903e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12206e+02   -2.07453e+02    4.48477e+00    5.06040e-06


DD  step 211424999  vol min/aver 0.740  load imb.: force  5.6%  pme mesh/force 0.671
           Step           Time
      211425000   422850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23372e+03    1.97890e+04    1.30917e+04    1.20691e+03   -3.13919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72090e+03    9.21620e+04    4.02094e+05   -2.34206e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64492e+04   -2.44742e+06    4.82512e+05   -1.96491e+06    2.22909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12821e+02   -2.07896e+02    6.15569e+01    5.06384e-06


DD  step 211429999  vol min/aver 0.709  load imb.: force  7.6%  pme mesh/force 0.703
           Step           Time
      211430000   422860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78201e+03    1.91090e+04    1.29230e+04    1.14322e+03   -3.10862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83925e+03    9.30783e+04    4.04485e+05   -2.33735e+04   -2.98251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64621e+04   -2.44917e+06    4.79601e+05   -1.96957e+06    2.22915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.07062e+02    1.03030e+02    5.04388e-06


DD  step 211434999  vol min/aver 0.707  load imb.: force  3.9%  pme mesh/force 0.658
           Step           Time
      211435000   422870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10209e+03    1.97387e+04    1.31140e+04    1.21412e+03   -3.08021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79964e+03    9.22748e+04    4.02764e+05   -2.34085e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64340e+04   -2.44654e+06    4.78525e+05   -1.96802e+06    2.22921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10236e+02   -2.07682e+02    6.21245e+01    4.89559e-06


DD  step 211439999  vol min/aver 0.725  load imb.: force  6.9%  pme mesh/force 0.678
           Step           Time
      211440000   422880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04481e+03    1.89096e+04    1.31479e+04    1.14426e+03   -3.12129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83535e+03    9.26940e+04    4.02628e+05   -2.34019e+04   -2.97987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65880e+04   -2.44840e+06    4.79689e+05   -1.96872e+06    2.22926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10991e+02   -2.07564e+02    5.81094e+01    5.03646e-06


DD  step 211444999  vol min/aver 0.726  load imb.: force  4.5%  pme mesh/force 0.658
           Step           Time
      211445000   422890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00370e+03    1.93310e+04    1.31840e+04    1.22811e+03   -3.07004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85228e+03    9.33207e+04    3.99342e+05   -2.33668e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63973e+04   -2.44706e+06    4.77858e+05   -1.96921e+06    2.22933e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09804e+02   -2.06943e+02   -3.06809e+01    5.06099e-06


DD  step 211449999  vol min/aver 0.725  load imb.: force  4.9%  pme mesh/force 0.653
           Step           Time
      211450000   422900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68065e+03    1.96301e+04    1.32953e+04    1.21488e+03   -3.06935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92215e+03    9.30484e+04    4.01026e+05   -2.33725e+04   -2.98035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64072e+04   -2.44957e+06    4.79745e+05   -1.96982e+06    2.22938e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.07044e+02    2.55528e+01    5.03094e-06


DD  step 211454999  vol min/aver 0.714  load imb.: force  5.5%  pme mesh/force 0.674
           Step           Time
      211455000   422910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08396e+03    1.94680e+04    1.31532e+04    1.25185e+03   -3.12839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73700e+03    9.25819e+04    3.99569e+05   -2.33984e+04   -2.97481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65915e+04   -2.44590e+06    4.80209e+05   -1.96569e+06    2.22944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.07503e+02    4.70633e+00    5.16492e-06


DD  step 211459999  vol min/aver 0.732  load imb.: force  5.5%  pme mesh/force 0.650
           Step           Time
      211460000   422920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98613e+03    1.93832e+04    1.32682e+04    1.16433e+03   -3.11248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85415e+03    9.21483e+04    4.00585e+05   -2.34099e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64080e+04   -2.44778e+06    4.80655e+05   -1.96712e+06    2.22950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11617e+02   -2.07706e+02    1.82930e+01    5.14174e-06


DD  step 211464999  vol min/aver 0.728  load imb.: force  5.1%  pme mesh/force 0.668
           Step           Time
      211465000   422930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90270e+03    1.96059e+04    1.32651e+04    1.26767e+03   -3.18755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87414e+03    9.24262e+04    3.99977e+05   -2.33984e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65709e+04   -2.44712e+06    4.80011e+05   -1.96711e+06    2.22956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11200e+02   -2.07502e+02    2.66300e+01    5.03586e-06


DD  step 211469999  vol min/aver 0.697  load imb.: force  4.7%  pme mesh/force 0.663
           Step           Time
      211470000   422940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96410e+03    1.91340e+04    1.31396e+04    1.18233e+03   -3.13011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84065e+03    9.35090e+04    4.03138e+05   -2.33853e+04   -2.98244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66421e+04   -2.44940e+06    4.78515e+05   -1.97089e+06    2.22962e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10230e+02   -2.07271e+02    5.64473e+01    5.02743e-06


DD  step 211474999  vol min/aver 0.739  load imb.: force  5.2%  pme mesh/force 0.659
           Step           Time
      211475000   422950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89620e+03    1.94417e+04    1.30734e+04    1.22242e+03   -3.02652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89488e+03    9.28953e+04    3.99176e+05   -2.33470e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64693e+04   -2.44804e+06    4.78909e+05   -1.96913e+06    2.22968e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10485e+02   -2.06592e+02   -4.14617e+01    5.10223e-06


DD  step 211479999  vol min/aver 0.714  load imb.: force  5.5%  pme mesh/force 0.653
           Step           Time
      211480000   422960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21127e+03    1.96143e+04    1.30365e+04    1.25109e+03   -3.13133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75965e+03    9.26066e+04    4.00912e+05   -2.34083e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64428e+04   -2.44560e+06    4.79133e+05   -1.96646e+06    2.22974e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.07678e+02    2.47048e+01    5.03584e-06


DD  step 211484999  vol min/aver 0.701  load imb.: force  6.8%  pme mesh/force 0.663
           Step           Time
      211485000   422970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06262e+03    1.91831e+04    1.28708e+04    1.15559e+03   -3.01646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80442e+03    9.25382e+04    4.01991e+05   -2.33844e+04   -2.98141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65420e+04   -2.45067e+06    4.79920e+05   -1.97075e+06    2.22979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11140e+02   -2.07255e+02    1.38419e+01    5.20000e-06


DD  step 211489999  vol min/aver 0.693  load imb.: force  7.5%  pme mesh/force 0.674
           Step           Time
      211490000   422980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82709e+03    1.95058e+04    1.31519e+04    1.08491e+03   -3.06605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86363e+03    9.26233e+04    4.01516e+05   -2.33372e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64676e+04   -2.44814e+06    4.80440e+05   -1.96770e+06    2.22985e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.06419e+02    1.18539e+00    5.07416e-06


DD  step 211494999  vol min/aver 0.746  load imb.: force  4.0%  pme mesh/force 0.652
           Step           Time
      211495000   422990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08984e+03    1.90879e+04    1.31856e+04    1.18871e+03   -3.13993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85738e+03    9.25753e+04    4.02963e+05   -2.33901e+04   -2.98050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63897e+04   -2.44869e+06    4.79451e+05   -1.96924e+06    2.22990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.07355e+02    4.73665e+01    5.08642e-06


DD  step 211499999  vol min/aver 0.698  load imb.: force  4.3%  pme mesh/force 0.647
           Step           Time
      211500000   423000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10393e+03    1.97243e+04    1.31826e+04    1.20536e+03   -3.05980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84891e+03    9.26694e+04    4.04018e+05   -2.33827e+04   -2.98106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66210e+04   -2.44712e+06    4.80499e+05   -1.96662e+06    2.22997e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11516e+02   -2.07225e+02    1.33853e+02    4.93776e-06


DD  step 211504999  vol min/aver 0.711  load imb.: force  4.8%  pme mesh/force 0.673
           Step           Time
      211505000   423010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73393e+03    1.94384e+04    1.30210e+04    1.16334e+03   -3.08123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87699e+03    9.26353e+04    3.99643e+05   -2.33852e+04   -2.97994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64419e+04   -2.45146e+06    4.79007e+05   -1.97245e+06    2.23003e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10549e+02   -2.07269e+02   -6.62622e+01    5.08889e-06


DD  step 211509999  vol min/aver 0.738  load imb.: force  4.3%  pme mesh/force 0.659
           Step           Time
      211510000   423020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15279e+03    1.96816e+04    1.31745e+04    1.19559e+03   -3.03932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88917e+03    9.30583e+04    4.02141e+05   -2.34359e+04   -2.98067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65269e+04   -2.44832e+06    4.80018e+05   -1.96831e+06    2.23009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11204e+02   -2.08168e+02    1.25188e+02    5.12849e-06


DD  step 211514999  vol min/aver 0.728  load imb.: force  5.5%  pme mesh/force 0.659
           Step           Time
      211515000   423030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87449e+03    1.95959e+04    1.30603e+04    1.19373e+03   -3.07143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88496e+03    9.31550e+04    3.98083e+05   -2.33937e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64365e+04   -2.44965e+06    4.80001e+05   -1.96965e+06    2.23014e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.07419e+02   -7.64676e+01    5.00895e-06


DD  step 211519999  vol min/aver 0.733  load imb.: force  6.0%  pme mesh/force 0.656
           Step           Time
      211520000   423040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22346e+03    1.92819e+04    1.29193e+04    1.17246e+03   -3.02815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79616e+03    9.30622e+04    3.98293e+05   -2.33224e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65307e+04   -2.44966e+06    4.78367e+05   -1.97129e+06    2.23020e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10134e+02   -2.06159e+02   -1.25088e+02    5.19677e-06


DD  step 211524999  vol min/aver 0.697  load imb.: force  4.2%  pme mesh/force 0.649
           Step           Time
      211525000   423050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87237e+03    1.93285e+04    1.30316e+04    1.20491e+03   -3.09006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83177e+03    9.29533e+04    3.99826e+05   -2.33866e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64238e+04   -2.44779e+06    4.78825e+05   -1.96897e+06    2.23026e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10431e+02   -2.07293e+02   -9.32477e+00    5.00134e-06


DD  step 211529999  vol min/aver 0.725  load imb.: force  4.7%  pme mesh/force 0.659
           Step           Time
      211530000   423060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00357e+03    1.94577e+04    1.29409e+04    1.27359e+03   -3.16995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78453e+03    9.23936e+04    4.00450e+05   -2.33731e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65881e+04   -2.45010e+06    4.79326e+05   -1.97078e+06    2.23031e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.07054e+02   -4.47749e+00    5.13219e-06


DD  step 211534999  vol min/aver 0.698  load imb.: force  4.6%  pme mesh/force 0.645
           Step           Time
      211535000   423070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13006e+03    1.95214e+04    1.31242e+04    1.15084e+03   -3.07032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88162e+03    9.26518e+04    3.97066e+05   -2.33288e+04   -2.97043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66788e+04   -2.44362e+06    4.81170e+05   -1.96245e+06    2.23036e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11951e+02   -2.06272e+02   -9.50142e+01    5.07764e-06


DD  step 211539999  vol min/aver 0.724  load imb.: force  3.4%  pme mesh/force 0.658
           Step           Time
      211540000   423080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34562e+03    1.94540e+04    1.31351e+04    1.14992e+03   -3.13098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82878e+03    9.28224e+04    4.02309e+05   -2.33995e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66301e+04   -2.44746e+06    4.81421e+05   -1.96604e+06    2.23043e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12114e+02   -2.07521e+02    2.70084e+01    5.21667e-06


DD  step 211544999  vol min/aver 0.703  load imb.: force  5.3%  pme mesh/force 0.666
           Step           Time
      211545000   423090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13168e+03    1.95341e+04    1.31255e+04    1.16995e+03   -3.13151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81560e+03    9.22989e+04    4.02693e+05   -2.34524e+04   -2.98128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63579e+04   -2.44974e+06    4.80269e+05   -1.96947e+06    2.23048e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11367e+02   -2.08460e+02    7.97884e+01    5.02838e-06


DD  step 211549999  vol min/aver 0.725  load imb.: force  5.6%  pme mesh/force 0.669
           Step           Time
      211550000   423100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97659e+03    1.95699e+04    1.30527e+04    1.25601e+03   -3.10320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77767e+03    9.28183e+04    4.01668e+05   -2.33457e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64469e+04   -2.44755e+06    4.79593e+05   -1.96796e+06    2.23054e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.06571e+02    1.18245e+01    5.05272e-06


DD  step 211554999  vol min/aver 0.711  load imb.: force  4.6%  pme mesh/force 0.668
           Step           Time
      211555000   423110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06876e+03    1.93615e+04    1.29794e+04    1.16609e+03   -3.07529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82189e+03    9.25694e+04    4.00071e+05   -2.34166e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64964e+04   -2.44782e+06    4.79544e+05   -1.96828e+06    2.23059e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.07826e+02   -4.36993e+01    4.98766e-06


DD  step 211559999  vol min/aver 0.682  load imb.: force  4.5%  pme mesh/force 0.655
           Step           Time
      211560000   423120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16665e+03    1.95741e+04    1.32795e+04    1.17778e+03   -3.16866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81323e+03    9.31973e+04    3.99715e+05   -2.33566e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65506e+04   -2.44376e+06    4.79817e+05   -1.96395e+06    2.23065e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11074e+02   -2.06762e+02   -2.57181e+01    4.94755e-06


DD  step 211564999  vol min/aver 0.720  load imb.: force  5.7%  pme mesh/force 0.660
           Step           Time
      211565000   423130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24351e+03    1.97035e+04    1.32158e+04    1.20135e+03   -2.97170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74385e+03    9.28516e+04    3.99887e+05   -2.34300e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64662e+04   -2.44631e+06    4.80747e+05   -1.96556e+06    2.23071e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11677e+02   -2.08063e+02    3.82135e+00    5.10584e-06


DD  step 211569999  vol min/aver 0.674  load imb.: force  5.5%  pme mesh/force 0.660
           Step           Time
      211570000   423140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90628e+03    1.98046e+04    1.32031e+04    1.12737e+03   -3.07788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88767e+03    9.30681e+04    4.01160e+05   -2.34148e+04   -2.97936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65255e+04   -2.44817e+06    4.80638e+05   -1.96753e+06    2.23077e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11606e+02   -2.07793e+02    2.64967e+01    5.13331e-06


DD  step 211574999  vol min/aver 0.697  load imb.: force  3.7%  pme mesh/force 0.665
           Step           Time
      211575000   423150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14845e+03    1.94274e+04    1.29604e+04    1.15247e+03   -2.94693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83069e+03    9.28610e+04    4.00132e+05   -2.33019e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65007e+04   -2.44676e+06    4.78143e+05   -1.96862e+06    2.23082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09988e+02   -2.05796e+02   -8.90357e+01    4.97371e-06


DD  step 211579999  vol min/aver 0.686  load imb.: force  5.2%  pme mesh/force 0.677
           Step           Time
      211580000   423160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13848e+03    1.91910e+04    1.29066e+04    1.26447e+03   -3.05860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95703e+03    9.25782e+04    3.97741e+05   -2.33544e+04   -2.97201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66324e+04   -2.44501e+06    4.80459e+05   -1.96455e+06    2.23088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11490e+02   -2.06724e+02   -3.18441e+01    5.05567e-06


DD  step 211584999  vol min/aver 0.680  load imb.: force  4.8%  pme mesh/force 0.652
           Step           Time
      211585000   423170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10016e+03    1.94644e+04    1.30778e+04    1.18111e+03   -3.11778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86551e+03    9.31920e+04    4.00803e+05   -2.33910e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64984e+04   -2.44524e+06    4.79779e+05   -1.96546e+06    2.23094e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11049e+02   -2.07371e+02    3.09767e+01    5.09703e-06


DD  step 211589999  vol min/aver 0.686  load imb.: force  5.2%  pme mesh/force 0.670
           Step           Time
      211590000   423180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99604e+03    1.93076e+04    1.30185e+04    1.18840e+03   -3.04457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90177e+03    9.29630e+04    4.02168e+05   -2.33993e+04   -2.98026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64701e+04   -2.44869e+06    4.78473e+05   -1.97021e+06    2.23100e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10203e+02   -2.07518e+02    3.43431e+01    5.00982e-06


DD  step 211594999  vol min/aver 0.732  load imb.: force  5.0%  pme mesh/force 0.656
           Step           Time
      211595000   423190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05785e+03    1.94016e+04    1.28765e+04    1.12451e+03   -2.98380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84623e+03    9.26035e+04    4.02932e+05   -2.33866e+04   -2.98064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66096e+04   -2.44856e+06    4.79549e+05   -1.96901e+06    2.23105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10900e+02   -2.07293e+02    6.39567e+01    5.09526e-06


DD  step 211599999  vol min/aver 0.698  load imb.: force  4.4%  pme mesh/force 0.648
           Step           Time
      211600000   423200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83557e+03    1.91879e+04    1.31107e+04    1.21649e+03   -3.03071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89281e+03    9.29269e+04    3.99495e+05   -2.33909e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62856e+04   -2.44934e+06    4.79108e+05   -1.97024e+06    2.23111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10615e+02   -2.07370e+02   -1.21271e+01    5.13054e-06


DD  step 211604999  vol min/aver 0.718  load imb.: force  4.7%  pme mesh/force 0.645
           Step           Time
      211605000   423210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03972e+03    1.96157e+04    1.31154e+04    1.15378e+03   -3.02334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94641e+03    9.24676e+04    4.03169e+05   -2.33893e+04   -2.97896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65743e+04   -2.44629e+06    4.79553e+05   -1.96673e+06    2.23117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10903e+02   -2.07342e+02    1.40900e+02    5.06357e-06


DD  step 211609999  vol min/aver 0.673  load imb.: force  5.0%  pme mesh/force 0.657
           Step           Time
      211610000   423220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62059e+03    1.93311e+04    1.31988e+04    1.25357e+03   -3.09632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87435e+03    9.37238e+04    3.99300e+05   -2.34050e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65093e+04   -2.44693e+06    4.78697e+05   -1.96823e+06    2.23123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10348e+02   -2.07619e+02   -1.18431e+01    5.18831e-06


DD  step 211614999  vol min/aver 0.669  load imb.: force  7.4%  pme mesh/force 0.686
           Step           Time
      211615000   423230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94851e+03    1.96363e+04    1.31355e+04    1.16041e+03   -3.07273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74311e+03    9.26109e+04    3.99515e+05   -2.33674e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66309e+04   -2.44738e+06    4.78830e+05   -1.96855e+06    2.23128e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.06953e+02   -6.10318e+01    5.14381e-06


DD  step 211619999  vol min/aver 0.679  load imb.: force  4.5%  pme mesh/force 0.644
           Step           Time
      211620000   423240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83580e+03    1.94092e+04    1.32284e+04    1.22306e+03   -2.92364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97025e+03    9.28392e+04    3.99636e+05   -2.33917e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65568e+04   -2.44554e+06    4.81985e+05   -1.96356e+06    2.23134e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12480e+02   -2.07385e+02    5.16715e+01    5.13273e-06


DD  step 211624999  vol min/aver 0.683  load imb.: force  4.6%  pme mesh/force 0.645
           Step           Time
      211625000   423250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20168e+03    1.98533e+04    1.30103e+04    1.22710e+03   -3.11448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78553e+03    9.24221e+04    3.99352e+05   -2.33877e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67273e+04   -2.44576e+06    4.81267e+05   -1.96449e+06    2.23140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12014e+02   -2.07314e+02   -2.46574e+01    5.06698e-06


DD  step 211629999  vol min/aver 0.682  load imb.: force  5.3%  pme mesh/force 0.655
           Step           Time
      211630000   423260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02133e+03    1.96369e+04    1.30646e+04    1.19877e+03   -3.02440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88800e+03    9.28504e+04    3.98264e+05   -2.33708e+04   -2.97356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63686e+04   -2.44566e+06    4.79573e+05   -1.96609e+06    2.23146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10916e+02   -2.07014e+02   -6.03120e+01    5.12330e-06


DD  step 211634999  vol min/aver 0.690  load imb.: force  5.0%  pme mesh/force 0.648
           Step           Time
      211635000   423270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04028e+03    1.91884e+04    1.31324e+04    1.21415e+03   -3.05280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84147e+03    9.24134e+04    4.01715e+05   -2.33987e+04   -2.98063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65118e+04   -2.45003e+06    4.78092e+05   -1.97194e+06    2.23151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09956e+02   -2.07508e+02    2.36620e+01    5.00961e-06


DD  step 211639999  vol min/aver 0.683  load imb.: force  4.9%  pme mesh/force 0.643
           Step           Time
      211640000   423280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04260e+03    1.97242e+04    1.31322e+04    1.10000e+03   -3.05035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85653e+03    9.32413e+04    3.99856e+05   -2.33690e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66512e+04   -2.44677e+06    4.79288e+05   -1.96748e+06    2.23157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10731e+02   -2.06982e+02   -3.01743e+00    5.03750e-06


DD  step 211644999  vol min/aver 0.679  load imb.: force  5.3%  pme mesh/force 0.640
           Step           Time
      211645000   423290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03701e+03    1.98658e+04    1.31831e+04    1.17757e+03   -3.18098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85346e+03    9.31938e+04    4.02674e+05   -2.33923e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64974e+04   -2.44533e+06    4.80105e+05   -1.96522e+06    2.23164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11260e+02   -2.07395e+02    6.85634e+01    5.14168e-06


DD  step 211649999  vol min/aver 0.707  load imb.: force  4.8%  pme mesh/force 0.647
           Step           Time
      211650000   423300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26213e+03    1.94008e+04    1.32056e+04    1.19501e+03   -3.10501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90675e+03    9.25643e+04    4.01688e+05   -2.34037e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67109e+04   -2.44490e+06    4.79608e+05   -1.96529e+06    2.23169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.07597e+02    7.25559e+01    5.12215e-06


DD  step 211654999  vol min/aver 0.709  load imb.: force  3.9%  pme mesh/force 0.652
           Step           Time
      211655000   423310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81413e+03    1.96417e+04    1.30276e+04    1.25567e+03   -3.04485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77260e+03    9.29676e+04    3.99720e+05   -2.33844e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66381e+04   -2.44920e+06    4.80652e+05   -1.96855e+06    2.23175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11615e+02   -2.07255e+02   -4.10603e+01    5.14118e-06


DD  step 211659999  vol min/aver 0.704  load imb.: force  4.7%  pme mesh/force 0.646
           Step           Time
      211660000   423320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85940e+03    1.93349e+04    1.33435e+04    1.06747e+03   -3.22858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91464e+03    9.32906e+04    3.99914e+05   -2.33863e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66856e+04   -2.44921e+06    4.77350e+05   -1.97186e+06    2.23180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09474e+02   -2.07288e+02   -1.67573e+01    5.18184e-06


DD  step 211664999  vol min/aver 0.670  load imb.: force  7.2%  pme mesh/force 0.686
           Step           Time
      211665000   423330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91612e+03    1.93108e+04    1.29181e+04    1.16015e+03   -3.09082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81240e+03    9.31747e+04    4.00212e+05   -2.33575e+04   -2.97858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64650e+04   -2.44906e+06    4.79206e+05   -1.96985e+06    2.23186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.06779e+02   -5.49031e+01    5.08381e-06


DD  step 211669999  vol min/aver 0.731  load imb.: force  4.1%  pme mesh/force 0.655
           Step           Time
      211670000   423340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92268e+03    1.92517e+04    1.31951e+04    1.15455e+03   -3.03949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83974e+03    9.29129e+04    3.97939e+05   -2.34196e+04   -2.97521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66012e+04   -2.44785e+06    4.78796e+05   -1.96905e+06    2.23191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10412e+02   -2.07879e+02   -7.52521e+01    5.00596e-06

Writing checkpoint, step 211672700 at Tue Nov  7 13:31:28 2023



DD  step 211674999  vol min/aver 0.676  load imb.: force  4.6%  pme mesh/force 0.659
           Step           Time
      211675000   423350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07566e+03    1.95030e+04    1.31003e+04    1.13785e+03   -3.04256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83973e+03    9.23522e+04    3.99483e+05   -2.33677e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67058e+04   -2.44521e+06    4.79231e+05   -1.96598e+06    2.23197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10694e+02   -2.06960e+02   -1.92275e+01    5.07209e-06


DD  step 211679999  vol min/aver 0.678  load imb.: force  4.6%  pme mesh/force 0.659
           Step           Time
      211680000   423360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22922e+03    1.96151e+04    1.31138e+04    1.16453e+03   -3.15170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71670e+03    9.31151e+04    4.01300e+05   -2.33805e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66907e+04   -2.44465e+06    4.79954e+05   -1.96470e+06    2.23203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.07186e+02    2.49622e+01    5.13401e-06


DD  step 211684999  vol min/aver 0.685  load imb.: force  4.7%  pme mesh/force 0.653
           Step           Time
      211685000   423370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04572e+03    1.94655e+04    1.31850e+04    1.23550e+03   -3.15707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95692e+03    9.25160e+04    3.96620e+05   -2.33593e+04   -2.97189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62631e+04   -2.44612e+06    4.79353e+05   -1.96677e+06    2.23208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.06811e+02   -1.18133e+02    5.17065e-06


DD  step 211689999  vol min/aver 0.663  load imb.: force  4.2%  pme mesh/force 0.662
           Step           Time
      211690000   423380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95668e+03    1.93367e+04    1.29609e+04    1.28145e+03   -3.03293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69917e+03    9.28751e+04    3.98248e+05   -2.33528e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66737e+04   -2.44831e+06    4.78556e+05   -1.96975e+06    2.23215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10257e+02   -2.06696e+02   -8.72487e+01    5.21583e-06


DD  step 211694999  vol min/aver 0.634  load imb.: force  5.2%  pme mesh/force 0.673
           Step           Time
      211695000   423390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96132e+03    1.92751e+04    1.29986e+04    1.18610e+03   -2.94398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95856e+03    9.29134e+04    4.00974e+05   -2.33961e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65512e+04   -2.44590e+06    4.80204e+05   -1.96569e+06    2.23221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.07462e+02    4.71298e+01    5.15691e-06


DD  step 211699999  vol min/aver 0.685  load imb.: force  5.6%  pme mesh/force 0.645
           Step           Time
      211700000   423400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97248e+03    1.93300e+04    1.33810e+04    1.11498e+03   -3.13199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82882e+03    9.31176e+04    4.01341e+05   -2.34176e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65383e+04   -2.44788e+06    4.80133e+05   -1.96775e+06    2.23226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11279e+02   -2.07843e+02    1.56830e+01    5.09564e-06


DD  step 211704999  vol min/aver 0.685  load imb.: force  3.9%  pme mesh/force 0.655
           Step           Time
      211705000   423410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95984e+03    1.91646e+04    1.29903e+04    1.17413e+03   -3.07170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80340e+03    9.32238e+04    4.05246e+05   -2.33752e+04   -2.98544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63981e+04   -2.45092e+06    4.79523e+05   -1.97140e+06    2.23232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.07091e+02    9.89895e+01    5.13693e-06


DD  step 211709999  vol min/aver 0.690  load imb.: force  4.4%  pme mesh/force 0.677
           Step           Time
      211710000   423420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96535e+03    1.95365e+04    1.32880e+04    1.16716e+03   -3.13354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79372e+03    9.29769e+04    3.99798e+05   -2.33748e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66073e+04   -2.44690e+06    4.79535e+05   -1.96736e+06    2.23238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10891e+02   -2.07086e+02   -2.93473e+01    5.13012e-06


DD  step 211714999  vol min/aver 0.690  load imb.: force  3.8%  pme mesh/force 0.650
           Step           Time
      211715000   423430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91806e+03    1.93450e+04    1.30657e+04    1.22552e+03   -3.10618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84319e+03    9.28841e+04    3.96400e+05   -2.33972e+04   -2.97132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64992e+04   -2.44564e+06    4.81344e+05   -1.96430e+06    2.23244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12064e+02   -2.07482e+02   -7.19030e+01    5.11088e-06


DD  step 211719999  vol min/aver 0.687  load imb.: force  5.5%  pme mesh/force 0.665
           Step           Time
      211720000   423440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99326e+03    1.95080e+04    1.31196e+04    1.21178e+03   -3.05122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82671e+03    9.31595e+04    4.01270e+05   -2.33467e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64220e+04   -2.44768e+06    4.80783e+05   -1.96690e+06    2.23250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11700e+02   -2.06588e+02    1.70672e+01    5.27417e-06


DD  step 211724999  vol min/aver 0.729  load imb.: force  5.6%  pme mesh/force 0.657
           Step           Time
      211725000   423450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03236e+03    1.94194e+04    1.29485e+04    1.13242e+03   -3.06107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87658e+03    9.32505e+04    3.99379e+05   -2.33399e+04   -2.97385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65692e+04   -2.44464e+06    4.80720e+05   -1.96392e+06    2.23255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.06468e+02   -4.40504e+00    4.98039e-06


DD  step 211729999  vol min/aver 0.704  load imb.: force  5.1%  pme mesh/force 0.664
           Step           Time
      211730000   423460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80357e+03    1.95647e+04    1.31425e+04    1.22767e+03   -3.06461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79520e+03    9.28179e+04    3.99770e+05   -2.33471e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65961e+04   -2.44858e+06    4.80032e+05   -1.96855e+06    2.23261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.06595e+02   -4.00305e+01    5.23696e-06


DD  step 211734999  vol min/aver 0.702  load imb.: force  5.5%  pme mesh/force 0.656
           Step           Time
      211735000   423470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13273e+03    1.92506e+04    1.30657e+04    1.19854e+03   -3.00203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87180e+03    9.33618e+04    3.97445e+05   -2.33480e+04   -2.97114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64244e+04   -2.44374e+06    4.81649e+05   -1.96209e+06    2.23266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12262e+02   -2.06611e+02   -5.48761e+01    5.35442e-06


DD  step 211739999  vol min/aver 0.682  load imb.: force  6.7%  pme mesh/force 0.684
           Step           Time
      211740000   423480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95301e+03    1.99400e+04    1.29082e+04    1.29916e+03   -3.05133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76578e+03    9.32973e+04    3.99923e+05   -2.34262e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63455e+04   -2.44830e+06    4.79629e+05   -1.96867e+06    2.23273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10952e+02   -2.07996e+02   -1.92616e+00    5.10036e-06


DD  step 211744999  vol min/aver 0.657  load imb.: force  5.3%  pme mesh/force 0.660
           Step           Time
      211745000   423490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07965e+03    1.91809e+04    1.31397e+04    1.21158e+03   -3.07522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90073e+03    9.28690e+04    4.00571e+05   -2.33742e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63002e+04   -2.44780e+06    4.80546e+05   -1.96725e+06    2.23278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11547e+02   -2.07074e+02    6.53730e+01    5.12324e-06


DD  step 211749999  vol min/aver 0.690  load imb.: force  3.9%  pme mesh/force 0.652
           Step           Time
      211750000   423500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19380e+03    1.91959e+04    1.28991e+04    1.18959e+03   -3.00293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91043e+03    9.32976e+04    3.98909e+05   -2.33940e+04   -2.97383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66131e+04   -2.44502e+06    4.78075e+05   -1.96694e+06    2.23285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09944e+02   -2.07425e+02   -3.76390e+01    5.01340e-06


DD  step 211754999  vol min/aver 0.712  load imb.: force  4.9%  pme mesh/force 0.654
           Step           Time
      211755000   423510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10630e+03    1.95935e+04    1.31169e+04    1.24335e+03   -3.15599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73396e+03    9.28212e+04    3.99475e+05   -2.33839e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64838e+04   -2.44679e+06    4.79567e+05   -1.96723e+06    2.23290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10912e+02   -2.07247e+02   -4.21269e+01    5.03156e-06


DD  step 211759999  vol min/aver 0.675  load imb.: force  3.6%  pme mesh/force 0.655
           Step           Time
      211760000   423520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10683e+03    1.97367e+04    1.31154e+04    1.13256e+03   -3.02415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72877e+03    9.26795e+04    3.96036e+05   -2.33964e+04   -2.96922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64051e+04   -2.44370e+06    4.79287e+05   -1.96441e+06    2.23296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10731e+02   -2.07467e+02   -9.38429e+01    5.26921e-06


DD  step 211764999  vol min/aver 0.698  load imb.: force  5.4%  pme mesh/force 0.654
           Step           Time
      211765000   423530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89594e+03    1.92998e+04    1.29912e+04    1.17841e+03   -2.99086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89800e+03    9.39484e+04    4.01865e+05   -2.34359e+04   -2.98014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65651e+04   -2.44793e+06    4.80571e+05   -1.96735e+06    2.23301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11563e+02   -2.08168e+02    8.91155e+01    5.20579e-06


DD  step 211769999  vol min/aver 0.692  load imb.: force  4.3%  pme mesh/force 0.656
           Step           Time
      211770000   423540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99568e+03    1.95076e+04    1.30242e+04    1.13832e+03   -3.06963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83445e+03    9.27885e+04    4.02768e+05   -2.34029e+04   -2.98292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65291e+04   -2.45081e+06    4.78594e+05   -1.97222e+06    2.23307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10281e+02   -2.07582e+02    3.57476e+01    5.12407e-06


DD  step 211774999  vol min/aver 0.640  load imb.: force  3.7%  pme mesh/force 0.663
           Step           Time
      211775000   423550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91896e+03    1.91453e+04    1.31260e+04    1.22514e+03   -2.97073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87863e+03    9.26360e+04    3.99256e+05   -2.33841e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64919e+04   -2.44623e+06    4.79116e+05   -1.96711e+06    2.23313e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10620e+02   -2.07250e+02   -2.38687e+00    5.08029e-06


DD  step 211779999  vol min/aver 0.662  load imb.: force  4.8%  pme mesh/force 0.652
           Step           Time
      211780000   423560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03847e+03    1.93505e+04    1.29468e+04    1.19738e+03   -3.01695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91913e+03    9.28622e+04    4.03788e+05   -2.33681e+04   -2.98025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62993e+04   -2.44723e+06    4.79104e+05   -1.96813e+06    2.23319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10611e+02   -2.06966e+02    8.25790e+01    5.08493e-06


DD  step 211784999  vol min/aver 0.700  load imb.: force  4.8%  pme mesh/force 0.665
           Step           Time
      211785000   423570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66671e+03    1.97318e+04    1.30270e+04    1.13576e+03   -3.11202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76861e+03    9.28141e+04    4.00244e+05   -2.33905e+04   -2.97745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67196e+04   -2.44784e+06    4.80494e+05   -1.96735e+06    2.23324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11513e+02   -2.07363e+02    2.40456e+01    5.15950e-06


DD  step 211789999  vol min/aver 0.702  load imb.: force  5.9%  pme mesh/force 0.676
           Step           Time
      211790000   423580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77617e+03    1.97373e+04    1.30240e+04    1.16590e+03   -3.15505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74956e+03    9.28614e+04    4.01385e+05   -2.34001e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66374e+04   -2.44799e+06    4.78003e+05   -1.96999e+06    2.23331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09898e+02   -2.07534e+02    3.81114e+01    5.07625e-06


DD  step 211794999  vol min/aver 0.691  load imb.: force  5.1%  pme mesh/force 0.667
           Step           Time
      211795000   423590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98604e+03    1.92327e+04    1.31402e+04    1.17377e+03   -3.10753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92590e+03    9.29703e+04    4.03790e+05   -2.33982e+04   -2.98275e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62418e+04   -2.44979e+06    4.79592e+05   -1.97020e+06    2.23336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10928e+02   -2.07500e+02    9.68428e+01    5.09109e-06


DD  step 211799999  vol min/aver 0.672  load imb.: force  5.0%  pme mesh/force 0.684
           Step           Time
      211800000   423600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89821e+03    2.00032e+04    1.32370e+04    1.20735e+03   -3.01283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82639e+03    9.31021e+04    4.00597e+05   -2.33593e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63617e+04   -2.44560e+06    4.79637e+05   -1.96596e+06    2.23342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10957e+02   -2.06811e+02    9.48056e+00    4.96133e-06


DD  step 211804999  vol min/aver 0.676  load imb.: force  4.7%  pme mesh/force 0.658
           Step           Time
      211805000   423610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31393e+03    1.93254e+04    1.31723e+04    1.13079e+03   -3.08688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78158e+03    9.30694e+04    4.01968e+05   -2.33663e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64992e+04   -2.44574e+06    4.79895e+05   -1.96585e+06    2.23347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11125e+02   -2.06935e+02    1.93900e+01    5.10987e-06


DD  step 211809999  vol min/aver 0.700  load imb.: force  4.1%  pme mesh/force 0.654
           Step           Time
      211810000   423620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12402e+03    1.93299e+04    1.32776e+04    1.24062e+03   -3.12021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74394e+03    9.30840e+04    4.01218e+05   -2.33985e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64043e+04   -2.44828e+06    4.80281e+05   -1.96800e+06    2.23353e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.07504e+02   -1.03674e+01    4.94836e-06


DD  step 211814999  vol min/aver 0.667  load imb.: force  3.9%  pme mesh/force 0.648
           Step           Time
      211815000   423630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03926e+03    1.92236e+04    1.32117e+04    1.17568e+03   -3.15313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86951e+03    9.29866e+04    4.00202e+05   -2.34137e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64470e+04   -2.44586e+06    4.79006e+05   -1.96685e+06    2.23359e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10548e+02   -2.07774e+02   -6.05469e+00    5.04852e-06


DD  step 211819999  vol min/aver 0.681  load imb.: force  5.2%  pme mesh/force 0.647
           Step           Time
      211820000   423640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90868e+03    1.96005e+04    1.31248e+04    1.12384e+03   -2.95798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85976e+03    9.30964e+04    4.00914e+05   -2.33770e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63904e+04   -2.44712e+06    4.79466e+05   -1.96765e+06    2.23365e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10846e+02   -2.07124e+02    5.61609e+00    5.03304e-06


DD  step 211824999  vol min/aver 0.669  load imb.: force  4.6%  pme mesh/force 0.668
           Step           Time
      211825000   423650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06921e+03    1.93582e+04    1.30894e+04    1.17111e+03   -2.88183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78828e+03    9.28880e+04    3.97564e+05   -2.32993e+04   -2.97175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66626e+04   -2.44434e+06    4.78433e+05   -1.96591e+06    2.23370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10177e+02   -2.05750e+02   -9.27561e+01    5.27388e-06


DD  step 211829999  vol min/aver 0.690  load imb.: force  4.8%  pme mesh/force 0.653
           Step           Time
      211830000   423660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21382e+03    1.96831e+04    1.31065e+04    1.17750e+03   -3.05371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78519e+03    9.27123e+04    4.00780e+05   -2.33692e+04   -2.97374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65804e+04   -2.44313e+06    4.80900e+05   -1.96223e+06    2.23376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11776e+02   -2.06985e+02    9.29042e+00    4.99521e-06


DD  step 211834999  vol min/aver 0.669  load imb.: force  4.9%  pme mesh/force 0.645
           Step           Time
      211835000   423670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03868e+03    1.95731e+04    1.30758e+04    1.24199e+03   -3.03367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78691e+03    9.26737e+04    3.99263e+05   -2.33899e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63363e+04   -2.44725e+06    4.78756e+05   -1.96849e+06    2.23382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.07351e+02   -1.81530e+01    5.03085e-06


DD  step 211839999  vol min/aver 0.696  load imb.: force  6.3%  pme mesh/force 0.664
           Step           Time
      211840000   423680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08112e+03    1.93293e+04    1.31909e+04    1.25102e+03   -3.06022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81389e+03    9.28688e+04    4.00454e+05   -2.33708e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65050e+04   -2.44594e+06    4.80298e+05   -1.96564e+06    2.23387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11386e+02   -2.07013e+02    3.20198e+01    5.04073e-06


DD  step 211844999  vol min/aver 0.664  load imb.: force  5.2%  pme mesh/force 0.675
           Step           Time
      211845000   423690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05727e+03    1.98861e+04    1.30849e+04    1.21841e+03   -3.07927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89339e+03    9.30111e+04    3.98701e+05   -2.33991e+04   -2.97393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65968e+04   -2.44496e+06    4.81381e+05   -1.96358e+06    2.23393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12088e+02   -2.07515e+02   -7.40060e+00    4.95154e-06


DD  step 211849999  vol min/aver 0.674  load imb.: force  5.2%  pme mesh/force 0.665
           Step           Time
      211850000   423700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83449e+03    1.90221e+04    1.31881e+04    1.23012e+03   -3.03532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98092e+03    9.34771e+04    4.02215e+05   -2.34040e+04   -2.97775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64270e+04   -2.44581e+06    4.80167e+05   -1.96565e+06    2.23399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.07602e+02    1.19737e+02    4.99639e-06


DD  step 211854999  vol min/aver 0.653  load imb.: force  4.0%  pme mesh/force 0.655
           Step           Time
      211855000   423710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22364e+03    1.90114e+04    1.31965e+04    1.22590e+03   -3.03480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80690e+03    9.34065e+04    4.00517e+05   -2.33978e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65080e+04   -2.44636e+06    4.80070e+05   -1.96630e+06    2.23404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11238e+02   -2.07492e+02    3.36948e+00    5.06897e-06


DD  step 211859999  vol min/aver 0.685  load imb.: force  5.6%  pme mesh/force 0.665
           Step           Time
      211860000   423720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07797e+03    1.93252e+04    1.31511e+04    1.19567e+03   -3.11630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87379e+03    9.33835e+04    3.99736e+05   -2.34221e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64031e+04   -2.44811e+06    4.79855e+05   -1.96826e+06    2.23410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11098e+02   -2.07922e+02    1.52070e+01    5.15181e-06


DD  step 211864999  vol min/aver 0.669  load imb.: force  4.1%  pme mesh/force 0.654
           Step           Time
      211865000   423730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16018e+03    1.96235e+04    1.31914e+04    1.12002e+03   -3.08947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79443e+03    9.33706e+04    4.00563e+05   -2.33271e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64231e+04   -2.44430e+06    4.77868e+05   -1.96643e+06    2.23416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09811e+02   -2.06242e+02   -4.68713e+01    5.20903e-06


DD  step 211869999  vol min/aver 0.680  load imb.: force  4.5%  pme mesh/force 0.662
           Step           Time
      211870000   423740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17172e+03    1.91315e+04    1.31594e+04    1.18127e+03   -3.13035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75898e+03    9.32687e+04    4.01708e+05   -2.33900e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64329e+04   -2.44590e+06    4.78270e+05   -1.96763e+06    2.23422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10071e+02   -2.07353e+02    3.80663e+01    4.92692e-06


DD  step 211874999  vol min/aver 0.691  load imb.: force  5.9%  pme mesh/force 0.666
           Step           Time
      211875000   423750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16021e+03    1.97778e+04    1.28891e+04    1.15887e+03   -2.95684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77279e+03    9.25363e+04    3.97212e+05   -2.34047e+04   -2.97427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66325e+04   -2.44749e+06    4.79258e+05   -1.96823e+06    2.23428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10712e+02   -2.07614e+02   -9.67114e+01    5.03921e-06


DD  step 211879999  vol min/aver 0.667  load imb.: force  4.5%  pme mesh/force 0.645
           Step           Time
      211880000   423760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85027e+03    1.94152e+04    1.31366e+04    1.24680e+03   -3.02628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79863e+03    9.27731e+04    3.99040e+05   -2.33924e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65746e+04   -2.44669e+06    4.78108e+05   -1.96858e+06    2.23433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09966e+02   -2.07397e+02   -6.37532e+00    5.03315e-06


DD  step 211884999  vol min/aver 0.702  load imb.: force  4.9%  pme mesh/force 0.664
           Step           Time
      211885000   423770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25546e+03    1.92425e+04    1.29533e+04    1.16386e+03   -3.03054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65916e+03    9.24430e+04    4.00753e+05   -2.34565e+04   -2.98116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65173e+04   -2.45166e+06    4.78742e+05   -1.97292e+06    2.23439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10377e+02   -2.08533e+02   -1.06953e+01    5.11662e-06


DD  step 211889999  vol min/aver 0.685  load imb.: force  5.0%  pme mesh/force 0.660
           Step           Time
      211890000   423780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17850e+03    1.95317e+04    1.31316e+04    1.18955e+03   -3.12995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80280e+03    9.32254e+04    4.03533e+05   -2.33359e+04   -2.97951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65319e+04   -2.44585e+06    4.80819e+05   -1.96503e+06    2.23445e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11723e+02   -2.06398e+02    6.89771e+00    5.03700e-06


DD  step 211894999  vol min/aver 0.709  load imb.: force  5.2%  pme mesh/force 0.639
           Step           Time
      211895000   423790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95764e+03    1.97658e+04    1.32011e+04    1.19065e+03   -3.15921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86521e+03    9.30910e+04    4.00117e+05   -2.33975e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65255e+04   -2.44720e+06    4.79713e+05   -1.96748e+06    2.23451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11006e+02   -2.07487e+02    1.64810e+01    4.84044e-06


DD  step 211899999  vol min/aver 0.668  load imb.: force  4.0%  pme mesh/force 0.645
           Step           Time
      211900000   423800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02502e+03    1.91607e+04    1.31596e+04    1.16080e+03   -3.10218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99579e+03    9.27770e+04    3.99973e+05   -2.33972e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65224e+04   -2.44784e+06    4.78410e+05   -1.96943e+06    2.23456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10162e+02   -2.07481e+02   -1.39326e+01    5.17856e-06


DD  step 211904999  vol min/aver 0.715  load imb.: force  4.8%  pme mesh/force 0.641
           Step           Time
      211905000   423810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77854e+03    1.95995e+04    1.30744e+04    1.12399e+03   -3.06309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81036e+03    9.25760e+04    4.03339e+05   -2.34176e+04   -2.98098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64446e+04   -2.44871e+06    4.80202e+05   -1.96851e+06    2.23462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.07842e+02    1.28703e+02    4.87244e-06


DD  step 211909999  vol min/aver 0.675  load imb.: force  4.8%  pme mesh/force 0.649
           Step           Time
      211910000   423820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00467e+03    1.94107e+04    1.31574e+04    1.19215e+03   -3.14420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91846e+03    9.30012e+04    3.97247e+05   -2.33843e+04   -2.97409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66744e+04   -2.44701e+06    4.77602e+05   -1.96941e+06    2.23468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09638e+02   -2.07254e+02   -1.27054e+02    5.12567e-06


DD  step 211914999  vol min/aver 0.688  load imb.: force  5.4%  pme mesh/force 0.658
           Step           Time
      211915000   423830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93551e+03    1.94992e+04    1.30393e+04    1.18087e+03   -3.16453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86896e+03    9.32128e+04    4.01134e+05   -2.33787e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65757e+04   -2.44705e+06    4.81782e+05   -1.96526e+06    2.23473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12348e+02   -2.07155e+02    1.10944e+01    5.04042e-06


DD  step 211919999  vol min/aver 0.700  load imb.: force  6.8%  pme mesh/force 0.675
           Step           Time
      211920000   423840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01830e+03    1.95758e+04    1.31182e+04    1.23112e+03   -3.08948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81993e+03    9.26112e+04    3.99746e+05   -2.33593e+04   -2.97641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66897e+04   -2.44704e+06    4.81485e+05   -1.96556e+06    2.23479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12156e+02   -2.06811e+02   -1.68539e+01    4.99964e-06


DD  step 211924999  vol min/aver 0.693  load imb.: force  4.2%  pme mesh/force 0.649
           Step           Time
      211925000   423850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93983e+03    1.91221e+04    1.32365e+04    1.30576e+03   -3.09819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97412e+03    9.31364e+04    3.99475e+05   -2.33751e+04   -2.97390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67138e+04   -2.44447e+06    4.80113e+05   -1.96436e+06    2.23485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11266e+02   -2.07090e+02    4.69373e+00    5.11739e-06


DD  step 211929999  vol min/aver 0.699  load imb.: force  5.1%  pme mesh/force 0.657
           Step           Time
      211930000   423860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88660e+03    1.94535e+04    1.33659e+04    1.11271e+03   -3.13951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02359e+03    9.31884e+04    4.02213e+05   -2.34450e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63748e+04   -2.44795e+06    4.81380e+05   -1.96657e+06    2.23491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12087e+02   -2.08328e+02    7.95787e+01    5.09406e-06


DD  step 211934999  vol min/aver 0.692  load imb.: force  4.2%  pme mesh/force 0.655
           Step           Time
      211935000   423870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08984e+03    2.02883e+04    1.30233e+04    1.15047e+03   -3.16615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83401e+03    9.22005e+04    3.99606e+05   -2.33734e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63458e+04   -2.44502e+06    4.79566e+05   -1.96546e+06    2.23497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.07060e+02   -9.54007e+00    4.85486e-06


DD  step 211939999  vol min/aver 0.711  load imb.: force  4.5%  pme mesh/force 0.654
           Step           Time
      211940000   423880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05391e+03    1.97396e+04    1.28815e+04    1.19565e+03   -3.07088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88306e+03    9.25661e+04    3.99705e+05   -2.33866e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66152e+04   -2.44450e+06    4.82075e+05   -1.96243e+06    2.23503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12538e+02   -2.07294e+02    4.07888e+01    5.13869e-06


DD  step 211944999  vol min/aver 0.697  load imb.: force  5.6%  pme mesh/force 0.660
           Step           Time
      211945000   423890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37138e+03    1.96919e+04    1.31461e+04    1.09797e+03   -3.07001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76974e+03    9.27624e+04    4.00956e+05   -2.34159e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63892e+04   -2.44602e+06    4.81264e+05   -1.96476e+06    2.23509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12012e+02   -2.07814e+02    2.56248e+01    5.08248e-06


DD  step 211949999  vol min/aver 0.696  load imb.: force  4.2%  pme mesh/force 0.649
           Step           Time
      211950000   423900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89978e+03    1.91376e+04    1.31296e+04    1.16845e+03   -3.06504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84686e+03    9.26499e+04    4.01373e+05   -2.33952e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65871e+04   -2.44749e+06    4.78862e+05   -1.96863e+06    2.23514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10455e+02   -2.07446e+02    3.57725e+01    5.00606e-06


DD  step 211954999  vol min/aver 0.702  load imb.: force  5.0%  pme mesh/force 0.661
           Step           Time
      211955000   423910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01073e+03    1.93162e+04    1.31300e+04    1.14618e+03   -3.16401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81850e+03    9.24060e+04    3.99066e+05   -2.33819e+04   -2.97630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66030e+04   -2.44835e+06    4.79552e+05   -1.96880e+06    2.23520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10902e+02   -2.07211e+02   -8.60293e+01    5.18007e-06


DD  step 211959999  vol min/aver 0.680  load imb.: force  5.3%  pme mesh/force 0.683
           Step           Time
      211960000   423920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18517e+03    1.92203e+04    1.31767e+04    1.25260e+03   -3.14329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91165e+03    9.27823e+04    4.03764e+05   -2.33974e+04   -2.98140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66324e+04   -2.44802e+06    4.79722e+05   -1.96830e+06    2.23527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.07485e+02    9.06314e+01    5.03128e-06


DD  step 211964999  vol min/aver 0.669  load imb.: force  4.2%  pme mesh/force 0.651
           Step           Time
      211965000   423930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81212e+03    1.93820e+04    1.31216e+04    1.24806e+03   -3.11076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90167e+03    9.28021e+04    4.02024e+05   -2.34144e+04   -2.98056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64570e+04   -2.44934e+06    4.77926e+05   -1.97141e+06    2.23532e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09848e+02   -2.07786e+02    4.30263e+01    5.04014e-06


DD  step 211969999  vol min/aver 0.707  load imb.: force  5.3%  pme mesh/force 0.657
           Step           Time
      211970000   423940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10110e+03    1.93674e+04    1.32099e+04    1.15519e+03   -3.14361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79129e+03    9.28373e+04    4.01684e+05   -2.34157e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65376e+04   -2.44807e+06    4.79497e+05   -1.96858e+06    2.23538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.07809e+02    3.83186e+01    4.98131e-06


DD  step 211974999  vol min/aver 0.708  load imb.: force  6.0%  pme mesh/force 0.662
           Step           Time
      211975000   423950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29237e+03    1.95080e+04    1.30720e+04    1.19377e+03   -3.07924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70471e+03    9.28960e+04    3.98398e+05   -2.33607e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65137e+04   -2.44608e+06    4.77943e+05   -1.96814e+06    2.23544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09859e+02   -2.06835e+02   -8.83719e+01    5.06997e-06


DD  step 211979999  vol min/aver 0.710  load imb.: force  5.8%  pme mesh/force 0.672
           Step           Time
      211980000   423960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96790e+03    1.94314e+04    1.32340e+04    1.20507e+03   -3.00414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00892e+03    9.30339e+04    4.00987e+05   -2.33373e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65313e+04   -2.44614e+06    4.81072e+05   -1.96507e+06    2.23549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11888e+02   -2.06422e+02    1.79323e+00    5.03119e-06


DD  step 211984999  vol min/aver 0.700  load imb.: force  5.0%  pme mesh/force 0.636
           Step           Time
      211985000   423970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15062e+03    1.93023e+04    1.29495e+04    1.18416e+03   -3.10246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93743e+03    9.28943e+04    3.98524e+05   -2.33789e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65352e+04   -2.44626e+06    4.79721e+05   -1.96654e+06    2.23555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.07157e+02   -3.42618e+01    5.11450e-06


DD  step 211989999  vol min/aver 0.703  load imb.: force  5.9%  pme mesh/force 0.659
           Step           Time
      211990000   423980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25522e+03    1.94800e+04    1.29553e+04    1.10203e+03   -3.10274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75108e+03    9.33817e+04    4.00821e+05   -2.34569e+04   -2.98344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64303e+04   -2.45282e+06    4.78496e+05   -1.97433e+06    2.23561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10217e+02   -2.08540e+02   -2.01662e+01    4.88496e-06


DD  step 211994999  vol min/aver 0.736  load imb.: force  6.2%  pme mesh/force 0.656
           Step           Time
      211995000   423990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88970e+03    1.96084e+04    1.31318e+04    1.22589e+03   -3.01331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89198e+03    9.29798e+04    4.02089e+05   -2.34038e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65019e+04   -2.44574e+06    4.80181e+05   -1.96556e+06    2.23567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.07598e+02    8.27246e+01    5.16300e-06


DD  step 211999999  vol min/aver 0.756  load imb.: force  5.4%  pme mesh/force 0.677
           Step           Time
      212000000   424000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12841e+03    1.92296e+04    1.30409e+04    1.24944e+03   -2.95026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80496e+03    9.31794e+04    3.99566e+05   -2.34033e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64698e+04   -2.44789e+06    4.79798e+05   -1.96809e+06    2.23573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.07589e+02   -4.12459e+01    5.05338e-06


DD  step 212004999  vol min/aver 0.714  load imb.: force  4.3%  pme mesh/force 0.655
           Step           Time
      212005000   424010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97192e+03    1.88287e+04    1.32133e+04    1.15668e+03   -3.09201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87619e+03    9.32924e+04    3.99521e+05   -2.33943e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63726e+04   -2.44782e+06    4.78620e+05   -1.96920e+06    2.23578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.07431e+02   -2.85719e+01    4.98704e-06


DD  step 212009999  vol min/aver 0.738  load imb.: force  5.1%  pme mesh/force 0.657
           Step           Time
      212010000   424020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32301e+03    1.91517e+04    1.31176e+04    1.19394e+03   -3.24106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86355e+03    9.26131e+04    3.99194e+05   -2.33595e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66780e+04   -2.44734e+06    4.78949e+05   -1.96840e+06    2.23585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10511e+02   -2.06814e+02   -7.26770e+01    5.14340e-06


DD  step 212014999  vol min/aver 0.731  load imb.: force  5.8%  pme mesh/force 0.669
           Step           Time
      212015000   424030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90050e+03    1.90859e+04    1.30336e+04    1.17193e+03   -3.08256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90123e+03    9.35676e+04    4.04332e+05   -2.34111e+04   -2.98035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65004e+04   -2.44635e+06    4.77538e+05   -1.96882e+06    2.23590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09596e+02   -2.07727e+02    1.37637e+02    5.18787e-06


DD  step 212019999  vol min/aver 0.721  load imb.: force  4.5%  pme mesh/force 0.653
           Step           Time
      212020000   424040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09546e+03    1.92635e+04    1.29720e+04    1.14896e+03   -3.12573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78805e+03    9.28540e+04    4.00994e+05   -2.33244e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63578e+04   -2.44930e+06    4.80180e+05   -1.96912e+06    2.23596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.06195e+02   -7.91602e+01    5.17800e-06


DD  step 212024999  vol min/aver 0.737  load imb.: force  4.9%  pme mesh/force 0.667
           Step           Time
      212025000   424050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12359e+03    1.95263e+04    1.31090e+04    1.07356e+03   -3.25195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81182e+03    9.29009e+04    3.98593e+05   -2.33230e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62734e+04   -2.44800e+06    4.81348e+05   -1.96666e+06    2.23602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12066e+02   -2.06169e+02   -9.93770e+01    4.99072e-06


DD  step 212029999  vol min/aver 0.729  load imb.: force  4.7%  pme mesh/force 0.653
           Step           Time
      212030000   424060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80090e+03    1.96592e+04    1.32116e+04    1.25167e+03   -3.00899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89292e+03    9.34931e+04    3.97306e+05   -2.33773e+04   -2.97123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63971e+04   -2.44360e+06    4.80946e+05   -1.96266e+06    2.23608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.07129e+02   -2.55125e+01    4.92830e-06


DD  step 212034999  vol min/aver 0.698  load imb.: force  3.8%  pme mesh/force 0.638
           Step           Time
      212035000   424070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93568e+03    1.90636e+04    1.29443e+04    1.13989e+03   -2.98998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94502e+03    9.33041e+04    4.01634e+05   -2.34249e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65932e+04   -2.44538e+06    4.77078e+05   -1.96830e+06    2.23614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09298e+02   -2.07972e+02    8.03046e+01    5.04772e-06


DD  step 212039999  vol min/aver 0.715  load imb.: force  5.1%  pme mesh/force 0.648
           Step           Time
      212040000   424080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97906e+03    1.95802e+04    1.31571e+04    1.15860e+03   -3.05165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75818e+03    9.25359e+04    4.00250e+05   -2.33569e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64955e+04   -2.44818e+06    4.80456e+05   -1.96773e+06    2.23619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11488e+02   -2.06768e+02   -4.05501e+01    5.01557e-06


DD  step 212044999  vol min/aver 0.744  load imb.: force  5.3%  pme mesh/force 0.662
           Step           Time
      212045000   424090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18932e+03    1.94236e+04    1.29654e+04    1.27886e+03   -2.96993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67334e+03    9.31128e+04    4.00108e+05   -2.34024e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64619e+04   -2.44822e+06    4.81400e+05   -1.96682e+06    2.23625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12100e+02   -2.07574e+02   -5.36400e+01    4.99751e-06


DD  step 212049999  vol min/aver 0.696  load imb.: force  4.9%  pme mesh/force 0.656
           Step           Time
      212050000   424100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19698e+03    1.90365e+04    1.30101e+04    1.16204e+03   -3.06339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81373e+03    9.31191e+04    4.01155e+05   -2.33686e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65495e+04   -2.44807e+06    4.80889e+05   -1.96718e+06    2.23630e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11769e+02   -2.06974e+02   -7.36519e+00    4.93930e-06


DD  step 212054999  vol min/aver 0.711  load imb.: force  5.0%  pme mesh/force 0.674
           Step           Time
      212055000   424110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81330e+03    1.97300e+04    1.32376e+04    1.14371e+03   -3.07393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77188e+03    9.30942e+04    3.99078e+05   -2.33630e+04   -2.97342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64580e+04   -2.44453e+06    4.79777e+05   -1.96475e+06    2.23636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11048e+02   -2.06876e+02   -4.39872e+01    5.10211e-06

Writing checkpoint, step 212056150 at Tue Nov  7 13:46:28 2023



step 212056200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 26 min 906 max 1050

DD  step 212059999 load imb.: force 16.1%  pme mesh/force 0.742
           Step           Time
      212060000   424120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97017e+03    1.95561e+04    1.31569e+04    1.14034e+03   -3.18686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90233e+03    9.29491e+04    4.03698e+05   -2.33863e+04   -2.98160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65833e+04   -2.44822e+06    4.82378e+05   -1.96584e+06    2.23642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12734e+02   -2.07288e+02    9.04176e+01    5.00354e-06


DD  step 212064999 load imb.: force 14.8%  pme mesh/force 0.713
           Step           Time
      212065000   424130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09576e+03    1.95249e+04    1.31771e+04    1.18944e+03   -3.05607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85233e+03    9.30301e+04    4.00444e+05   -2.33903e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64268e+04   -2.44735e+06    4.79510e+05   -1.96784e+06    2.23648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.07360e+02    2.21626e+01    4.94008e-06


step 212065200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.2 %.

DD  step 212069999  vol min/aver 0.708  load imb.: force  4.8%  pme mesh/force 0.656
           Step           Time
      212070000   424140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17471e+03    1.93750e+04    1.30111e+04    1.21291e+03   -3.06784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84925e+03    9.33086e+04    4.01493e+05   -2.33680e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66697e+04   -2.44438e+06    4.79582e+05   -1.96480e+06    2.23654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10922e+02   -2.06965e+02    5.33606e+01    5.07528e-06


DD  step 212074999  vol min/aver 0.721  load imb.: force  5.8%  pme mesh/force 0.655
           Step           Time
      212075000   424150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15515e+03    1.91641e+04    1.32396e+04    1.20923e+03   -3.12281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82241e+03    9.30258e+04    3.98626e+05   -2.33997e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65791e+04   -2.44781e+06    4.78310e+05   -1.96950e+06    2.23659e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10097e+02   -2.07526e+02   -9.74001e+01    5.07512e-06


DD  step 212079999  vol min/aver 0.705  load imb.: force  5.3%  pme mesh/force 0.657
           Step           Time
      212080000   424160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98684e+03    1.94561e+04    1.31944e+04    1.12904e+03   -3.20939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86575e+03    9.28562e+04    4.02748e+05   -2.34021e+04   -2.98017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64430e+04   -2.44810e+06    4.81198e+05   -1.96690e+06    2.23665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11969e+02   -2.07568e+02    8.99131e+01    4.99237e-06


DD  step 212084999  vol min/aver 0.708  load imb.: force  4.6%  pme mesh/force 0.662
           Step           Time
      212085000   424170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08725e+03    1.95269e+04    1.30245e+04    1.17506e+03   -3.11873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86400e+03    9.34078e+04    4.00307e+05   -2.33721e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64249e+04   -2.44744e+06    4.76285e+05   -1.97115e+06    2.23671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08784e+02   -2.07037e+02   -2.68922e+01    5.05408e-06


DD  step 212089999  vol min/aver 0.728  load imb.: force  4.3%  pme mesh/force 0.668
           Step           Time
      212090000   424180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00675e+03    1.95681e+04    1.32087e+04    1.28090e+03   -2.99245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92735e+03    9.29942e+04    3.99181e+05   -2.33996e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64356e+04   -2.44616e+06    4.81167e+05   -1.96499e+06    2.23676e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11949e+02   -2.07524e+02   -1.88879e+01    4.99391e-06


DD  step 212094999  vol min/aver 0.725  load imb.: force  3.9%  pme mesh/force 0.660
           Step           Time
      212095000   424190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93029e+03    1.95699e+04    1.29780e+04    1.19690e+03   -3.03961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89591e+03    9.28920e+04    4.02211e+05   -2.33823e+04   -2.98018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63169e+04   -2.44861e+06    4.80439e+05   -1.96818e+06    2.23682e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.07217e+02    9.07323e+01    5.15175e-06


DD  step 212099999  vol min/aver 0.706  load imb.: force  5.6%  pme mesh/force 0.664
           Step           Time
      212100000   424200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96700e+03    1.93608e+04    1.31351e+04    1.26411e+03   -3.09956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82487e+03    9.30001e+04    3.98899e+05   -2.34212e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63779e+04   -2.44770e+06    4.79506e+05   -1.96820e+06    2.23688e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10873e+02   -2.07906e+02   -1.43595e+01    5.08006e-06


DD  step 212104999  vol min/aver 0.704  load imb.: force  4.8%  pme mesh/force 0.664
           Step           Time
      212105000   424210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07482e+03    1.93482e+04    1.31222e+04    1.15549e+03   -3.13005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91274e+03    9.28466e+04    3.99539e+05   -2.34084e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63854e+04   -2.44814e+06    4.78759e+05   -1.96938e+06    2.23694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10388e+02   -2.07679e+02   -8.07600e+01    5.10684e-06


DD  step 212109999  vol min/aver 0.679  load imb.: force  4.1%  pme mesh/force 0.649
           Step           Time
      212110000   424220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97816e+03    1.94068e+04    1.30740e+04    1.18502e+03   -2.95387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93911e+03    9.31903e+04    3.99936e+05   -2.33669e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66401e+04   -2.44471e+06    4.80785e+05   -1.96393e+06    2.23699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11701e+02   -2.06945e+02    1.55520e+01    4.96546e-06


DD  step 212114999  vol min/aver 0.721  load imb.: force  4.8%  pme mesh/force 0.664
           Step           Time
      212115000   424230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70734e+03    1.94528e+04    1.31792e+04    1.22917e+03   -2.99663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86851e+03    9.29716e+04    3.98922e+05   -2.33894e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65379e+04   -2.44739e+06    4.80264e+05   -1.96713e+06    2.23705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11364e+02   -2.07344e+02   -4.10906e+01    5.11039e-06


DD  step 212119999  vol min/aver 0.734  load imb.: force  4.8%  pme mesh/force 0.673
           Step           Time
      212120000   424240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89045e+03    1.89603e+04    1.32350e+04    1.18091e+03   -2.99241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72202e+03    9.35482e+04    3.97801e+05   -2.33811e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65431e+04   -2.44895e+06    4.78681e+05   -1.97027e+06    2.23711e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.07197e+02   -1.30614e+02    5.26761e-06


DD  step 212124999  vol min/aver 0.707  load imb.: force  4.7%  pme mesh/force 0.647
           Step           Time
      212125000   424250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00931e+03    1.92086e+04    1.31851e+04    1.17518e+03   -3.06960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86359e+03    9.29306e+04    4.04121e+05   -2.34190e+04   -2.98120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64334e+04   -2.44777e+06    4.80184e+05   -1.96758e+06    2.23717e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11312e+02   -2.07868e+02    1.15711e+02    4.88066e-06


DD  step 212129999  vol min/aver 0.724  load imb.: force  5.0%  pme mesh/force 0.669
           Step           Time
      212130000   424260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01758e+03    1.94704e+04    1.30497e+04    1.21435e+03   -3.09166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95260e+03    9.34095e+04    4.00322e+05   -2.33450e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65575e+04   -2.44652e+06    4.82084e+05   -1.96444e+06    2.23723e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12544e+02   -2.06559e+02    7.73155e+00    5.10092e-06


DD  step 212134999  vol min/aver 0.682  load imb.: force  3.6%  pme mesh/force 0.648
           Step           Time
      212135000   424270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00772e+03    1.96376e+04    1.30800e+04    1.16253e+03   -3.12032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89007e+03    9.32399e+04    4.00285e+05   -2.33687e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65753e+04   -2.44583e+06    4.77230e+05   -1.96860e+06    2.23729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09397e+02   -2.06977e+02    5.81349e+00    5.07003e-06


DD  step 212139999  vol min/aver 0.748  load imb.: force  4.3%  pme mesh/force 0.657
           Step           Time
      212140000   424280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02653e+03    1.96636e+04    1.30732e+04    1.13701e+03   -3.04464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75425e+03    9.31501e+04    3.95960e+05   -2.33882e+04   -2.97040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63491e+04   -2.44471e+06    4.79456e+05   -1.96526e+06    2.23734e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10840e+02   -2.07322e+02   -1.06826e+02    5.18742e-06


DD  step 212144999  vol min/aver 0.722  load imb.: force  5.2%  pme mesh/force 0.658
           Step           Time
      212145000   424290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94651e+03    1.96368e+04    1.28753e+04    1.17087e+03   -3.03490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87404e+03    9.31379e+04    4.00546e+05   -2.33444e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65497e+04   -2.44664e+06    4.79269e+05   -1.96737e+06    2.23740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10719e+02   -2.06547e+02    2.78294e+01    5.08915e-06


DD  step 212149999  vol min/aver 0.709  load imb.: force  4.4%  pme mesh/force 0.651
           Step           Time
      212150000   424300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84519e+03    1.90755e+04    1.29978e+04    1.16059e+03   -2.94027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94094e+03    9.32541e+04    4.01436e+05   -2.33363e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65052e+04   -2.44916e+06    4.79553e+05   -1.96961e+06    2.23745e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10903e+02   -2.06404e+02   -1.25106e+01    5.05629e-06


DD  step 212154999  vol min/aver 0.714  load imb.: force  5.1%  pme mesh/force 0.653
           Step           Time
      212155000   424310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18168e+03    1.93293e+04    1.31600e+04    1.21951e+03   -3.09560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75758e+03    9.35155e+04    3.99900e+05   -2.33792e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65161e+04   -2.44799e+06    4.81710e+05   -1.96628e+06    2.23752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12301e+02   -2.07163e+02   -3.49824e+01    5.09050e-06


DD  step 212159999  vol min/aver 0.681  load imb.: force  4.6%  pme mesh/force 0.667
           Step           Time
      212160000   424320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14094e+03    1.97271e+04    1.30591e+04    1.19663e+03   -3.09809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79225e+03    9.28376e+04    4.00373e+05   -2.33712e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65320e+04   -2.44534e+06    4.81332e+05   -1.96401e+06    2.23757e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12056e+02   -2.07020e+02    3.29841e+01    5.01366e-06


DD  step 212164999  vol min/aver 0.719  load imb.: force  4.4%  pme mesh/force 0.664
           Step           Time
      212165000   424330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02042e+03    1.95443e+04    1.30620e+04    1.12468e+03   -3.15185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90989e+03    9.31960e+04    4.01886e+05   -2.34216e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62607e+04   -2.44745e+06    4.79125e+05   -1.96833e+06    2.23763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10625e+02   -2.07914e+02    6.86228e+01    4.98887e-06


DD  step 212169999  vol min/aver 0.672  load imb.: force  4.5%  pme mesh/force 0.648
           Step           Time
      212170000   424340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18826e+03    1.89962e+04    1.29784e+04    1.22244e+03   -3.03028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88644e+03    9.34827e+04    3.98870e+05   -2.34257e+04   -2.97432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63574e+04   -2.44579e+06    4.79712e+05   -1.96608e+06    2.23769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11006e+02   -2.07987e+02   -9.81277e-01    4.92864e-06


DD  step 212174999  vol min/aver 0.735  load imb.: force  6.6%  pme mesh/force 0.688
           Step           Time
      212175000   424350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25716e+03    1.90978e+04    1.31704e+04    1.16382e+03   -3.06311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91427e+03    9.32789e+04    3.99276e+05   -2.33647e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65539e+04   -2.44802e+06    4.78871e+05   -1.96915e+06    2.23775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10461e+02   -2.06906e+02   -1.13870e+01    4.91424e-06


DD  step 212179999  vol min/aver 0.725  load imb.: force  5.7%  pme mesh/force 0.670
           Step           Time
      212180000   424360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25298e+03    1.96905e+04    1.31542e+04    1.22720e+03   -3.07597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70881e+03    9.32591e+04    4.00071e+05   -2.34471e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62753e+04   -2.44569e+06    4.81528e+05   -1.96416e+06    2.23780e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.08366e+02    2.44380e+01    5.13467e-06


DD  step 212184999  vol min/aver 0.660  load imb.: force  4.2%  pme mesh/force 0.644
           Step           Time
      212185000   424370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91497e+03    1.93317e+04    1.33038e+04    1.22954e+03   -3.03341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88258e+03    9.33313e+04    4.02138e+05   -2.33418e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65177e+04   -2.44478e+06    4.79047e+05   -1.96573e+06    2.23786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.06502e+02    5.77173e+01    4.91076e-06


DD  step 212189999  vol min/aver 0.676  load imb.: force  4.2%  pme mesh/force 0.656
           Step           Time
      212190000   424380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00481e+03    1.96341e+04    1.30876e+04    1.18966e+03   -3.01698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85572e+03    9.38443e+04    4.00040e+05   -2.33416e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66884e+04   -2.44560e+06    4.80109e+05   -1.96549e+06    2.23792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.06498e+02   -4.53305e+01    4.82944e-06


DD  step 212194999  vol min/aver 0.746  load imb.: force  5.1%  pme mesh/force 0.652
           Step           Time
      212195000   424390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02261e+03    1.94216e+04    1.29590e+04    1.24950e+03   -3.08346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85989e+03    9.35178e+04    3.97415e+05   -2.33290e+04   -2.97127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68183e+04   -2.44342e+06    4.78882e+05   -1.96454e+06    2.23798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10468e+02   -2.06275e+02   -9.83863e+01    5.02960e-06


DD  step 212199999  vol min/aver 0.712  load imb.: force  7.0%  pme mesh/force 0.696
           Step           Time
      212200000   424400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25316e+03    1.94429e+04    1.30180e+04    1.26024e+03   -3.09828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85920e+03    9.30920e+04    4.01055e+05   -2.33548e+04   -2.97326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64544e+04   -2.44228e+06    4.80454e+05   -1.96183e+06    2.23803e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.06731e+02   -1.25276e+01    5.02941e-06


DD  step 212204999  vol min/aver 0.704  load imb.: force  5.7%  pme mesh/force 0.664
           Step           Time
      212205000   424410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18851e+03    1.90564e+04    1.31128e+04    1.18590e+03   -3.07523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86554e+03    9.29200e+04    3.97439e+05   -2.33531e+04   -2.97008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65879e+04   -2.44315e+06    4.79002e+05   -1.96415e+06    2.23809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10545e+02   -2.06701e+02   -9.59109e+01    5.05759e-06


DD  step 212209999  vol min/aver 0.687  load imb.: force  4.6%  pme mesh/force 0.651
           Step           Time
      212210000   424420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02488e+03    1.93345e+04    1.31027e+04    1.23079e+03   -3.12531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85242e+03    9.32953e+04    4.00552e+05   -2.33946e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63185e+04   -2.44854e+06    4.79089e+05   -1.96945e+06    2.23815e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10602e+02   -2.07435e+02   -4.10665e+01    4.86640e-06


DD  step 212214999  vol min/aver 0.726  load imb.: force  3.3%  pme mesh/force 0.650
           Step           Time
      212215000   424430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93795e+03    1.94799e+04    1.29703e+04    1.19263e+03   -3.02454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70940e+03    9.31468e+04    4.01491e+05   -2.34281e+04   -2.98055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67051e+04   -2.44937e+06    4.79260e+05   -1.97011e+06    2.23820e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.08029e+02    3.92159e+00    5.05640e-06


DD  step 212219999  vol min/aver 0.734  load imb.: force  4.9%  pme mesh/force 0.662
           Step           Time
      212220000   424440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29188e+03    1.94404e+04    1.32273e+04    1.22181e+03   -3.05605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78557e+03    9.30140e+04    4.01716e+05   -2.34126e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64965e+04   -2.44599e+06    4.79932e+05   -1.96605e+06    2.23826e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11149e+02   -2.07755e+02    8.56868e+00    5.14949e-06


DD  step 212224999  vol min/aver 0.678  load imb.: force  5.2%  pme mesh/force 0.661
           Step           Time
      212225000   424450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08678e+03    1.98252e+04    1.30183e+04    1.11910e+03   -3.07459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80673e+03    9.23224e+04    3.98644e+05   -2.33635e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64077e+04   -2.44639e+06    4.78869e+05   -1.96752e+06    2.23832e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10459e+02   -2.06885e+02   -7.39047e+01    4.83839e-06


DD  step 212229999  vol min/aver 0.721  load imb.: force  4.9%  pme mesh/force 0.671
           Step           Time
      212230000   424460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97972e+03    1.93959e+04    1.31645e+04    1.17046e+03   -3.07815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89853e+03    9.32020e+04    4.01916e+05   -2.33749e+04   -2.98018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64660e+04   -2.44844e+06    4.78672e+05   -1.96977e+06    2.23838e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10332e+02   -2.07086e+02    7.54535e+01    5.08509e-06


DD  step 212234999  vol min/aver 0.726  load imb.: force  4.6%  pme mesh/force 0.654
           Step           Time
      212235000   424470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12140e+03    1.94427e+04    1.31794e+04    1.22318e+03   -3.04632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84626e+03    9.29112e+04    4.00947e+05   -2.33835e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64864e+04   -2.44406e+06    4.80742e+05   -1.96332e+06    2.23843e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11673e+02   -2.07239e+02    2.46573e+01    5.13612e-06


DD  step 212239999  vol min/aver 0.714  load imb.: force  4.8%  pme mesh/force 0.673
           Step           Time
      212240000   424480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12636e+03    1.93255e+04    1.29006e+04    1.12682e+03   -3.07183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83285e+03    9.24609e+04    4.03718e+05   -2.33367e+04   -2.97933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64930e+04   -2.44676e+06    4.77778e+05   -1.96898e+06    2.23849e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09752e+02   -2.06411e+02    6.25342e+01    5.11258e-06


DD  step 212244999  vol min/aver 0.717  load imb.: force  5.0%  pme mesh/force 0.646
           Step           Time
      212245000   424490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23144e+03    1.96641e+04    1.30429e+04    1.14724e+03   -3.00993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78312e+03    9.30453e+04    3.99084e+05   -2.33792e+04   -2.97366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65127e+04   -2.44454e+06    4.78818e+05   -1.96572e+06    2.23855e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.07163e+02   -4.56217e+01    5.00000e-06


DD  step 212249999  vol min/aver 0.736  load imb.: force  4.7%  pme mesh/force 0.637
           Step           Time
      212250000   424500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05344e+03    1.92697e+04    1.30694e+04    1.18209e+03   -3.10167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81826e+03    9.31355e+04    4.02085e+05   -2.33729e+04   -2.97894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66084e+04   -2.44719e+06    4.80279e+05   -1.96691e+06    2.23861e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11373e+02   -2.07050e+02    6.49215e+01    5.20624e-06


DD  step 212254999  vol min/aver 0.740  load imb.: force  4.7%  pme mesh/force 0.669
           Step           Time
      212255000   424510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95637e+03    1.94714e+04    1.31074e+04    1.23575e+03   -3.08721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88891e+03    9.31408e+04    3.97886e+05   -2.33790e+04   -2.97329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64183e+04   -2.44565e+06    4.78840e+05   -1.96681e+06    2.23867e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10441e+02   -2.07159e+02   -3.06845e+01    5.13415e-06


DD  step 212259999  vol min/aver 0.739  load imb.: force  4.5%  pme mesh/force 0.676
           Step           Time
      212260000   424520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01818e+03    1.90219e+04    1.30613e+04    1.19034e+03   -3.06176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94622e+03    9.37237e+04    4.01868e+05   -2.33544e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65577e+04   -2.44551e+06    4.80281e+05   -1.96523e+06    2.23873e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.06724e+02    8.18801e+01    5.10358e-06


DD  step 212264999  vol min/aver 0.716  load imb.: force  4.4%  pme mesh/force 0.651
           Step           Time
      212265000   424530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11016e+03    1.94334e+04    1.31660e+04    1.21582e+03   -3.05474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84358e+03    9.30971e+04    4.01367e+05   -2.33368e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67687e+04   -2.44533e+06    4.79510e+05   -1.96582e+06    2.23878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.06414e+02    1.43359e+01    5.18759e-06


DD  step 212269999  vol min/aver 0.739  load imb.: force  4.9%  pme mesh/force 0.642
           Step           Time
      212270000   424540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06146e+03    1.95840e+04    1.31173e+04    1.22072e+03   -3.19127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73366e+03    9.28078e+04    3.97986e+05   -2.33841e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64820e+04   -2.44692e+06    4.80015e+05   -1.96690e+06    2.23884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11203e+02   -2.07248e+02   -1.23907e+02    4.94409e-06


DD  step 212274999  vol min/aver 0.746  load imb.: force  5.0%  pme mesh/force 0.655
           Step           Time
      212275000   424550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01198e+03    1.92946e+04    1.29891e+04    1.17866e+03   -3.07064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80963e+03    9.33299e+04    4.01691e+05   -2.34077e+04   -2.98022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64873e+04   -2.44890e+06    4.79208e+05   -1.96969e+06    2.23889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10679e+02   -2.07667e+02    2.94777e+01    4.97667e-06


DD  step 212279999  vol min/aver 0.740  load imb.: force  3.9%  pme mesh/force 0.641
           Step           Time
      212280000   424560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97083e+03    1.93008e+04    1.30358e+04    1.11309e+03   -2.99782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83298e+03    9.31700e+04    4.04566e+05   -2.33994e+04   -2.98361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.44946e+06    4.79526e+05   -1.96993e+06    2.23895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.07520e+02    8.66113e+01    5.14596e-06


DD  step 212284999  vol min/aver 0.729  load imb.: force  4.6%  pme mesh/force 0.674
           Step           Time
      212285000   424570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02892e+03    1.93750e+04    1.29722e+04    1.24243e+03   -3.00099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74908e+03    9.27489e+04    4.00662e+05   -2.33512e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66485e+04   -2.44702e+06    4.77396e+05   -1.96963e+06    2.23901e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09504e+02   -2.06667e+02   -4.48236e+01    5.08055e-06


DD  step 212289999  vol min/aver 0.729  load imb.: force  4.2%  pme mesh/force 0.645
           Step           Time
      212290000   424580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91647e+03    1.92854e+04    1.30843e+04    1.18564e+03   -3.02165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00043e+03    9.31589e+04    3.99878e+05   -2.33966e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64214e+04   -2.44799e+06    4.81040e+05   -1.96695e+06    2.23906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11867e+02   -2.07471e+02    5.45624e+01    5.09355e-06


DD  step 212294999  vol min/aver 0.765  load imb.: force  5.6%  pme mesh/force 0.654
           Step           Time
      212295000   424590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08134e+03    1.94957e+04    1.30574e+04    1.19172e+03   -3.07772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93319e+03    9.24878e+04    4.03011e+05   -2.34104e+04   -2.97994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64755e+04   -2.44769e+06    4.79517e+05   -1.96817e+06    2.23913e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.07716e+02    8.17255e+01    4.98650e-06


DD  step 212299999  vol min/aver 0.753  load imb.: force  5.0%  pme mesh/force 0.662
           Step           Time
      212300000   424600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01678e+03    1.95058e+04    1.30641e+04    1.19335e+03   -3.02935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75653e+03    9.33933e+04    4.00598e+05   -2.34100e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64161e+04   -2.44550e+06    4.79348e+05   -1.96616e+06    2.23918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.07708e+02    1.98744e+01    5.12991e-06


DD  step 212304999  vol min/aver 0.756  load imb.: force  6.2%  pme mesh/force 0.682
           Step           Time
      212305000   424610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96895e+03    1.92700e+04    1.28528e+04    1.21152e+03   -2.95036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90378e+03    9.35919e+04    3.99523e+05   -2.33677e+04   -2.97367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66915e+04   -2.44398e+06    4.80967e+05   -1.96301e+06    2.23923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11819e+02   -2.06959e+02   -5.81877e+00    5.20345e-06


DD  step 212309999  vol min/aver 0.750  load imb.: force  3.6%  pme mesh/force 0.656
           Step           Time
      212310000   424620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.41967e+03    1.95021e+04    1.29923e+04    1.13827e+03   -3.00695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91105e+03    9.25379e+04    3.98343e+05   -2.33734e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65205e+04   -2.44657e+06    4.80366e+05   -1.96620e+06    2.23929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11430e+02   -2.07060e+02   -5.93265e+01    5.02443e-06


DD  step 212314999  vol min/aver 0.759  load imb.: force  5.1%  pme mesh/force 0.656
           Step           Time
      212315000   424630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07162e+03    1.93626e+04    1.30843e+04    1.20055e+03   -3.12991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73862e+03    9.26844e+04    3.98982e+05   -2.34108e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66447e+04   -2.44588e+06    4.80037e+05   -1.96584e+06    2.23935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.07722e+02   -1.87238e+00    5.21992e-06


DD  step 212319999  vol min/aver 0.787  load imb.: force  5.7%  pme mesh/force 0.672
           Step           Time
      212320000   424640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93092e+03    1.95711e+04    1.28836e+04    1.17624e+03   -3.06745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00933e+03    9.30433e+04    4.01656e+05   -2.33597e+04   -2.98019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65212e+04   -2.44882e+06    4.80767e+05   -1.96806e+06    2.23941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11690e+02   -2.06817e+02    2.77073e+01    5.12387e-06


DD  step 212324999  vol min/aver 0.785  load imb.: force  6.7%  pme mesh/force 0.674
           Step           Time
      212325000   424650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86011e+03    1.94222e+04    1.31138e+04    1.10928e+03   -3.10763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.05397e+03    9.27358e+04    4.02231e+05   -2.34267e+04   -2.98334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65345e+04   -2.45182e+06    4.79135e+05   -1.97268e+06    2.23947e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.08004e+02    4.31332e+01    5.15575e-06


DD  step 212329999  vol min/aver 0.806  load imb.: force  5.5%  pme mesh/force 0.658
           Step           Time
      212330000   424660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83041e+03    1.99181e+04    1.31127e+04    1.32456e+03   -3.12095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85826e+03    9.27758e+04    4.00380e+05   -2.33654e+04   -2.97905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64013e+04   -2.44894e+06    4.81895e+05   -1.96704e+06    2.23952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12421e+02   -2.06919e+02   -1.58022e+01    5.21884e-06


DD  step 212334999  vol min/aver 0.784  load imb.: force  4.9%  pme mesh/force 0.665
           Step           Time
      212335000   424670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08482e+03    1.91882e+04    1.30296e+04    1.12683e+03   -3.03381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74093e+03    9.26935e+04    4.00447e+05   -2.34016e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66121e+04   -2.44858e+06    4.78971e+05   -1.96961e+06    2.23958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10525e+02   -2.07559e+02   -2.40007e+01    5.21579e-06


DD  step 212339999  vol min/aver 0.771  load imb.: force  5.8%  pme mesh/force 0.660
           Step           Time
      212340000   424680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87198e+03    1.90670e+04    1.30699e+04    1.16795e+03   -3.09864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89762e+03    9.29193e+04    4.00797e+05   -2.33691e+04   -2.97872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65981e+04   -2.44880e+06    4.77908e+05   -1.97089e+06    2.23964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09836e+02   -2.06985e+02   -9.17493e+00    5.22845e-06


DD  step 212344999  vol min/aver 0.752  load imb.: force  3.9%  pme mesh/force 0.666
           Step           Time
      212345000   424690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29988e+03    1.96658e+04    1.29322e+04    1.13883e+03   -3.04242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73240e+03    9.28122e+04    4.01122e+05   -2.33955e+04   -2.97718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65947e+04   -2.44632e+06    4.78815e+05   -1.96750e+06    2.23970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.07451e+02    2.87720e+01    5.11586e-06


DD  step 212349999  vol min/aver 0.775  load imb.: force  6.1%  pme mesh/force 0.664
           Step           Time
      212350000   424700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13022e+03    1.90627e+04    1.31861e+04    1.21695e+03   -3.08219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85710e+03    9.32645e+04    3.98625e+05   -2.33463e+04   -2.97178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65905e+04   -2.44327e+06    4.78652e+05   -1.96462e+06    2.23975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10319e+02   -2.06581e+02   -1.59004e+01    5.30603e-06


DD  step 212354999  vol min/aver 0.781  load imb.: force  5.3%  pme mesh/force 0.665
           Step           Time
      212355000   424710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12188e+03    1.94914e+04    1.30275e+04    1.16080e+03   -3.10069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73037e+03    9.29130e+04    3.98112e+05   -2.33942e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64484e+04   -2.44628e+06    4.80885e+05   -1.96540e+06    2.23981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11766e+02   -2.07428e+02   -4.47089e+01    5.11066e-06


DD  step 212359999  vol min/aver 0.777  load imb.: force  4.4%  pme mesh/force 0.659
           Step           Time
      212360000   424720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83893e+03    1.92925e+04    1.31234e+04    1.17934e+03   -3.04988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00363e+03    9.33837e+04    4.01389e+05   -2.34145e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65092e+04   -2.44792e+06    4.80226e+05   -1.96770e+06    2.23987e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11339e+02   -2.07788e+02    8.94935e+01    5.22258e-06


DD  step 212364999  vol min/aver 0.735  load imb.: force  4.4%  pme mesh/force 0.643
           Step           Time
      212365000   424730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06155e+03    1.94752e+04    1.30062e+04    1.16516e+03   -3.17129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89578e+03    9.32329e+04    4.01446e+05   -2.34084e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64370e+04   -2.44895e+06    4.80292e+05   -1.96866e+06    2.23992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11382e+02   -2.07680e+02    3.81917e+01    5.11698e-06


DD  step 212369999  vol min/aver 0.759  load imb.: force  3.9%  pme mesh/force 0.645
           Step           Time
      212370000   424740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98603e+03    1.93987e+04    1.29289e+04    1.16325e+03   -3.05942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90908e+03    9.32684e+04    3.99833e+05   -2.33723e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64110e+04   -2.44532e+06    4.81930e+05   -1.96339e+06    2.23998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12444e+02   -2.07040e+02   -1.77034e+01    5.35513e-06


DD  step 212374999  vol min/aver 0.755  load imb.: force  4.9%  pme mesh/force 0.645
           Step           Time
      212375000   424750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83319e+03    1.95544e+04    1.29729e+04    1.18678e+03   -3.01570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84811e+03    9.31283e+04    4.01723e+05   -2.33831e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63254e+04   -2.44796e+06    4.80919e+05   -1.96704e+06    2.24004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11788e+02   -2.07232e+02    3.86667e+01    5.19845e-06


DD  step 212379999  vol min/aver 0.761  load imb.: force  4.9%  pme mesh/force 0.682
           Step           Time
      212380000   424760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94364e+03    1.93951e+04    1.31013e+04    1.16171e+03   -3.13053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87029e+03    9.32859e+04    4.00178e+05   -2.34053e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64460e+04   -2.44710e+06    4.79371e+05   -1.96773e+06    2.24010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10785e+02   -2.07624e+02    2.33248e+01    5.20051e-06


DD  step 212384999  vol min/aver 0.772  load imb.: force  4.3%  pme mesh/force 0.657
           Step           Time
      212385000   424770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34006e+03    1.97259e+04    1.32144e+04    1.15232e+03   -3.24325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81736e+03    9.30955e+04    3.99744e+05   -2.33428e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65175e+04   -2.44461e+06    4.79463e+05   -1.96514e+06    2.24016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.06518e+02   -6.28645e+01    5.19124e-06


DD  step 212389999  vol min/aver 0.750  load imb.: force  4.9%  pme mesh/force 0.660
           Step           Time
      212390000   424780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01481e+03    1.97211e+04    1.31820e+04    1.15895e+03   -3.16532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81591e+03    9.30758e+04    4.00519e+05   -2.33685e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63708e+04   -2.44633e+06    4.80609e+05   -1.96572e+06    2.24021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.06974e+02   -6.70660e+00    5.34990e-06


DD  step 212394999  vol min/aver 0.733  load imb.: force  5.2%  pme mesh/force 0.647
           Step           Time
      212395000   424790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93717e+03    1.94676e+04    1.30434e+04    1.21394e+03   -2.97613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83369e+03    9.29060e+04    3.96829e+05   -2.33649e+04   -2.97235e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62946e+04   -2.44616e+06    4.78987e+05   -1.96718e+06    2.24027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.06910e+02   -1.04466e+02    5.14600e-06


DD  step 212399999  vol min/aver 0.727  load imb.: force  6.8%  pme mesh/force 0.701
           Step           Time
      212400000   424800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08108e+03    1.92411e+04    1.31584e+04    1.10542e+03   -3.15309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90299e+03    9.27745e+04    3.98880e+05   -2.33503e+04   -2.97373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64999e+04   -2.44558e+06    4.80698e+05   -1.96489e+06    2.24032e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11645e+02   -2.06651e+02   -3.75714e+01    5.10586e-06


DD  step 212404999  vol min/aver 0.772  load imb.: force  5.0%  pme mesh/force 0.657
           Step           Time
      212405000   424810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03147e+03    1.91895e+04    1.30842e+04    1.30831e+03   -3.10779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77165e+03    9.30081e+04    4.00923e+05   -2.33518e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65141e+04   -2.44642e+06    4.79223e+05   -1.96719e+06    2.24039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.06678e+02   -2.20176e+01    5.30617e-06


DD  step 212409999  vol min/aver 0.740  load imb.: force  6.0%  pme mesh/force 0.649
           Step           Time
      212410000   424820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13583e+03    1.93741e+04    1.30914e+04    1.16632e+03   -3.10362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86064e+03    9.28581e+04    3.99309e+05   -2.33407e+04   -2.97433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65362e+04   -2.44545e+06    4.81457e+05   -1.96399e+06    2.24044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12137e+02   -2.06483e+02   -2.58063e+01    5.19418e-06


DD  step 212414999  vol min/aver 0.760  load imb.: force  3.8%  pme mesh/force 0.650
           Step           Time
      212415000   424830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92965e+03    1.95157e+04    1.29620e+04    1.26585e+03   -3.06507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76640e+03    9.33456e+04    4.00657e+05   -2.33180e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65385e+04   -2.44632e+06    4.78738e+05   -1.96758e+06    2.24050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10374e+02   -2.06081e+02   -6.33698e+01    5.27128e-06


DD  step 212419999  vol min/aver 0.766  load imb.: force  4.8%  pme mesh/force 0.657
           Step           Time
      212420000   424840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94829e+03    1.95321e+04    1.31085e+04    1.12462e+03   -3.13488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84633e+03    9.31711e+04    3.99611e+05   -2.34003e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64588e+04   -2.44844e+06    4.81118e+05   -1.96732e+06    2.24056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11918e+02   -2.07536e+02    1.42343e+01    5.27675e-06


DD  step 212424999  vol min/aver 0.752  load imb.: force  6.1%  pme mesh/force 0.657
           Step           Time
      212425000   424850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11707e+03    1.96386e+04    1.30041e+04    1.15967e+03   -3.07451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86947e+03    9.27554e+04    4.00864e+05   -2.33886e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65240e+04   -2.44792e+06    4.81136e+05   -1.96678e+06    2.24061e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11929e+02   -2.07328e+02    1.35502e+01    5.14366e-06


DD  step 212429999  vol min/aver 0.735  load imb.: force  4.5%  pme mesh/force 0.650
           Step           Time
      212430000   424860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99333e+03    1.91275e+04    1.30051e+04    1.18421e+03   -3.04030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98161e+03    9.29415e+04    4.00291e+05   -2.33635e+04   -2.97558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64287e+04   -2.44603e+06    4.77114e+05   -1.96892e+06    2.24067e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09321e+02   -2.06885e+02    2.22947e+01    5.14226e-06


DD  step 212434999  vol min/aver 0.743  load imb.: force  4.5%  pme mesh/force 0.655
           Step           Time
      212435000   424870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93558e+03    1.98442e+04    1.30085e+04    1.21737e+03   -3.00375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83811e+03    9.29257e+04    4.02000e+05   -2.34153e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64159e+04   -2.44687e+06    4.82045e+05   -1.96483e+06    2.24073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12518e+02   -2.07802e+02    8.46494e+01    5.10486e-06

Writing checkpoint, step 212437800 at Tue Nov  7 14:01:28 2023



DD  step 212439999  vol min/aver 0.754  load imb.: force  5.0%  pme mesh/force 0.646
           Step           Time
      212440000   424880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21086e+03    1.96042e+04    1.30447e+04    1.15983e+03   -2.93066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76799e+03    9.25403e+04    4.00929e+05   -2.33813e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63864e+04   -2.44829e+06    4.80126e+05   -1.96816e+06    2.24079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11274e+02   -2.07201e+02   -7.24280e+01    5.20378e-06


DD  step 212444999  vol min/aver 0.730  load imb.: force  7.1%  pme mesh/force 0.669
           Step           Time
      212445000   424890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04314e+03    1.93254e+04    1.30873e+04    1.15087e+03   -2.95531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79158e+03    9.27159e+04    3.99655e+05   -2.33939e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63772e+04   -2.44657e+06    4.77932e+05   -1.96864e+06    2.24084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09852e+02   -2.07423e+02   -5.75651e+01    5.39827e-06


DD  step 212449999  vol min/aver 0.745  load imb.: force  5.9%  pme mesh/force 0.674
           Step           Time
      212450000   424900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17691e+03    1.94494e+04    1.31931e+04    1.18306e+03   -3.02545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82115e+03    9.29551e+04    4.01486e+05   -2.33882e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64764e+04   -2.44527e+06    4.77652e+05   -1.96762e+06    2.24090e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09671e+02   -2.07322e+02    4.86938e+01    5.16695e-06


DD  step 212454999  vol min/aver 0.765  load imb.: force  3.9%  pme mesh/force 0.649
           Step           Time
      212455000   424910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98051e+03    1.93589e+04    1.30515e+04    1.17093e+03   -3.04274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88432e+03    9.32530e+04    4.01073e+05   -2.33468e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69108e+04   -2.44689e+06    4.79061e+05   -1.96782e+06    2.24096e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10584e+02   -2.06590e+02   -2.16088e+01    5.11358e-06


DD  step 212459999  vol min/aver 0.745  load imb.: force  5.1%  pme mesh/force 0.666
           Step           Time
      212460000   424920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99030e+03    1.97976e+04    1.30864e+04    1.20459e+03   -2.95590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78371e+03    9.29025e+04    3.99396e+05   -2.33871e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66200e+04   -2.44692e+06    4.80297e+05   -1.96662e+06    2.24102e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11385e+02   -2.07302e+02   -8.16948e+00    5.13746e-06


DD  step 212464999  vol min/aver 0.734  load imb.: force  4.4%  pme mesh/force 0.648
           Step           Time
      212465000   424930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18401e+03    1.96477e+04    1.29809e+04    1.14624e+03   -3.00579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77311e+03    9.27253e+04    4.03523e+05   -2.33852e+04   -2.98139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64682e+04   -2.44833e+06    4.79416e+05   -1.96891e+06    2.24108e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10814e+02   -2.07268e+02    3.67891e+01    5.38437e-06


DD  step 212469999  vol min/aver 0.740  load imb.: force  5.2%  pme mesh/force 0.647
           Step           Time
      212470000   424940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.42792e+03    1.96377e+04    1.33119e+04    1.19919e+03   -3.03933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87016e+03    9.27408e+04    4.01292e+05   -2.33927e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66290e+04   -2.44332e+06    4.79811e+05   -1.96351e+06    2.24114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11070e+02   -2.07402e+02    3.28016e+01    5.28483e-06


DD  step 212474999  vol min/aver 0.742  load imb.: force  4.8%  pme mesh/force 0.639
           Step           Time
      212475000   424950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01985e+03    1.94320e+04    1.31098e+04    1.21036e+03   -3.13218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93645e+03    9.33315e+04    3.97666e+05   -2.33612e+04   -2.97321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65099e+04   -2.44549e+06    4.78900e+05   -1.96659e+06    2.24119e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10479e+02   -2.06843e+02   -9.30459e+01    5.47787e-06


DD  step 212479999  vol min/aver 0.740  load imb.: force  4.5%  pme mesh/force 0.653
           Step           Time
      212480000   424960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00177e+03    1.95238e+04    1.30149e+04    1.20751e+03   -3.02538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94395e+03    9.27322e+04    3.99641e+05   -2.34321e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64344e+04   -2.44798e+06    4.80851e+05   -1.96713e+06    2.24125e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11744e+02   -2.08101e+02    1.23879e+01    5.08598e-06


DD  step 212484999  vol min/aver 0.755  load imb.: force  4.6%  pme mesh/force 0.638
           Step           Time
      212485000   424970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85281e+03    1.96967e+04    1.30575e+04    1.25265e+03   -3.11890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97703e+03    9.26012e+04    4.01029e+05   -2.33880e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65738e+04   -2.44426e+06    4.80164e+05   -1.96410e+06    2.24131e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11299e+02   -2.07318e+02    4.31863e+01    5.25970e-06


DD  step 212489999  vol min/aver 0.720  load imb.: force  4.3%  pme mesh/force 0.645
           Step           Time
      212490000   424980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10915e+03    1.98672e+04    1.31737e+04    1.15818e+03   -3.09200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82187e+03    9.28850e+04    4.01095e+05   -2.33920e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66723e+04   -2.44344e+06    4.82343e+05   -1.96109e+06    2.24137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12712e+02   -2.07390e+02    4.20670e+01    5.24991e-06


DD  step 212494999  vol min/aver 0.674  load imb.: force  5.2%  pme mesh/force 0.671
           Step           Time
      212495000   424990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10002e+03    1.95324e+04    1.30993e+04    1.14061e+03   -3.13437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69961e+03    9.27095e+04    3.98585e+05   -2.33893e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63697e+04   -2.44780e+06    4.80869e+05   -1.96693e+06    2.24142e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11756e+02   -2.07342e+02   -1.27705e+01    5.41559e-06


DD  step 212499999  vol min/aver 0.726  load imb.: force  6.6%  pme mesh/force 0.660
           Step           Time
      212500000   425000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72918e+03    1.93896e+04    1.31412e+04    1.18292e+03   -3.15408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85384e+03    9.32775e+04    4.00970e+05   -2.34073e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63295e+04   -2.44782e+06    4.78516e+05   -1.96930e+06    2.24148e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10230e+02   -2.07660e+02    3.61375e+01    5.24224e-06


DD  step 212504999  vol min/aver 0.736  load imb.: force  4.3%  pme mesh/force 0.657
           Step           Time
      212505000   425010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05875e+03    1.95803e+04    1.30880e+04    1.28312e+03   -2.94193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74319e+03    9.29319e+04    4.01820e+05   -2.34063e+04   -2.98114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66023e+04   -2.44938e+06    4.83422e+05   -1.96595e+06    2.24153e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13411e+02   -2.07643e+02    1.83270e+01    5.38583e-06


DD  step 212509999  vol min/aver 0.754  load imb.: force  5.0%  pme mesh/force 0.658
           Step           Time
      212510000   425020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94873e+03    1.95806e+04    1.31265e+04    1.14663e+03   -3.02702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76343e+03    9.31186e+04    4.03736e+05   -2.34178e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66248e+04   -2.44467e+06    4.80913e+05   -1.96376e+06    2.24160e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11785e+02   -2.07846e+02    1.06510e+02    5.37247e-06


DD  step 212514999  vol min/aver 0.728  load imb.: force  6.7%  pme mesh/force 0.702
           Step           Time
      212515000   425030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13612e+03    1.96417e+04    1.30798e+04    1.18265e+03   -2.95338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78904e+03    9.23241e+04    3.98256e+05   -2.33588e+04   -2.97198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66889e+04   -2.44419e+06    4.81584e+05   -1.96260e+06    2.24165e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12220e+02   -2.06801e+02   -8.00298e+01    5.07621e-06


DD  step 212519999  vol min/aver 0.720  load imb.: force  4.4%  pme mesh/force 0.652
           Step           Time
      212520000   425040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04836e+03    1.98074e+04    1.30432e+04    1.13349e+03   -2.99454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79966e+03    9.27267e+04    3.99725e+05   -2.33427e+04   -2.97519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65911e+04   -2.44565e+06    4.78761e+05   -1.96689e+06    2.24171e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10389e+02   -2.06518e+02   -6.35233e+01    5.13415e-06


DD  step 212524999  vol min/aver 0.682  load imb.: force  5.8%  pme mesh/force 0.668
           Step           Time
      212525000   425050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94995e+03    1.92223e+04    1.31451e+04    1.15994e+03   -2.97940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98580e+03    9.31332e+04    4.02233e+05   -2.33279e+04   -2.97872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65526e+04   -2.44664e+06    4.76724e+05   -1.96992e+06    2.24177e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09069e+02   -2.06256e+02    1.11099e+01    5.27996e-06


DD  step 212529999  vol min/aver 0.709  load imb.: force  3.8%  pme mesh/force 0.667
           Step           Time
      212530000   425060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03224e+03    1.96600e+04    1.30011e+04    1.10741e+03   -3.10943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87138e+03    9.30875e+04    4.00792e+05   -2.33374e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66541e+04   -2.44831e+06    4.79600e+05   -1.96871e+06    2.24183e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.06423e+02   -1.55917e+00    5.18367e-06


DD  step 212534999  vol min/aver 0.771  load imb.: force  4.1%  pme mesh/force 0.650
           Step           Time
      212535000   425070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10262e+03    1.94395e+04    1.31785e+04    1.20202e+03   -3.05035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90504e+03    9.26462e+04    3.99964e+05   -2.34055e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63958e+04   -2.44572e+06    4.78866e+05   -1.96686e+06    2.24188e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10457e+02   -2.07629e+02    7.11609e+00    5.10608e-06


DD  step 212539999  vol min/aver 0.734  load imb.: force  4.3%  pme mesh/force 0.649
           Step           Time
      212540000   425080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82778e+03    1.94170e+04    1.30521e+04    1.21461e+03   -3.00703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95873e+03    9.28255e+04    3.99187e+05   -2.33863e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62341e+04   -2.44832e+06    4.79974e+05   -1.96835e+06    2.24194e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.07288e+02   -1.60100e+01    5.33819e-06


DD  step 212544999  vol min/aver 0.690  load imb.: force  5.3%  pme mesh/force 0.655
           Step           Time
      212545000   425090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96435e+03    1.97706e+04    1.29120e+04    1.16511e+03   -3.03497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81458e+03    9.23696e+04    4.00903e+05   -2.34046e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63667e+04   -2.44728e+06    4.79640e+05   -1.96764e+06    2.24200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10959e+02   -2.07613e+02   -4.78038e+01    5.32988e-06


DD  step 212549999  vol min/aver 0.751  load imb.: force  6.8%  pme mesh/force 0.658
           Step           Time
      212550000   425100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13339e+03    1.94410e+04    1.32294e+04    1.15911e+03   -3.16864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78462e+03    9.19805e+04    4.00644e+05   -2.34023e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66109e+04   -2.44872e+06    4.79576e+05   -1.96914e+06    2.24206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10918e+02   -2.07571e+02    3.84366e+00    5.28027e-06


DD  step 212554999  vol min/aver 0.729  load imb.: force  4.1%  pme mesh/force 0.661
           Step           Time
      212555000   425110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02808e+03    1.93329e+04    1.30892e+04    1.28039e+03   -3.03117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99077e+03    9.27627e+04    4.04461e+05   -2.33935e+04   -2.98337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65644e+04   -2.44928e+06    4.80363e+05   -1.96892e+06    2.24212e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.07416e+02    9.10691e+01    5.30933e-06


DD  step 212559999  vol min/aver 0.737  load imb.: force  4.9%  pme mesh/force 0.644
           Step           Time
      212560000   425120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18795e+03    1.94710e+04    1.30705e+04    1.13649e+03   -3.12852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90957e+03    9.29765e+04    3.99954e+05   -2.33931e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65942e+04   -2.44825e+06    4.80611e+05   -1.96764e+06    2.24217e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11589e+02   -2.07409e+02   -3.57982e+01    5.07967e-06


DD  step 212564999  vol min/aver 0.719  load imb.: force  3.2%  pme mesh/force 0.642
           Step           Time
      212565000   425130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07912e+03    1.92149e+04    1.30664e+04    1.15556e+03   -3.14177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96993e+03    9.29817e+04    3.99377e+05   -2.33670e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64694e+04   -2.44806e+06    4.80916e+05   -1.96714e+06    2.24223e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11786e+02   -2.06947e+02   -3.79062e+01    5.27815e-06


DD  step 212569999  vol min/aver 0.717  load imb.: force  4.6%  pme mesh/force 0.657
           Step           Time
      212570000   425140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91620e+03    1.93225e+04    1.29473e+04    1.12866e+03   -3.01739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00759e+03    9.28959e+04    3.99556e+05   -2.33822e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65816e+04   -2.44779e+06    4.81901e+05   -1.96589e+06    2.24228e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12425e+02   -2.07215e+02   -9.95097e+00    5.33705e-06


DD  step 212574999  vol min/aver 0.738  load imb.: force  4.7%  pme mesh/force 0.657
           Step           Time
      212575000   425150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95310e+03    1.93186e+04    1.31564e+04    1.13881e+03   -3.11351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75848e+03    9.33443e+04    3.97640e+05   -2.33961e+04   -2.97343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64562e+04   -2.44617e+06    4.77878e+05   -1.96830e+06    2.24235e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09817e+02   -2.07462e+02   -8.11970e+01    5.40131e-06


DD  step 212579999  vol min/aver 0.725  load imb.: force  4.8%  pme mesh/force 0.662
           Step           Time
      212580000   425160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11985e+03    1.90598e+04    1.31173e+04    1.19882e+03   -3.05490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95410e+03    9.29424e+04    4.00595e+05   -2.33358e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65619e+04   -2.44583e+06    4.79611e+05   -1.96622e+06    2.24240e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.06396e+02   -3.76034e+01    5.36083e-06


DD  step 212584999  vol min/aver 0.744  load imb.: force  4.5%  pme mesh/force 0.649
           Step           Time
      212585000   425170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97072e+03    1.90712e+04    1.31388e+04    1.13297e+03   -3.08357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88216e+03    9.36586e+04    4.01312e+05   -2.34574e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65276e+04   -2.44746e+06    4.79016e+05   -1.96844e+06    2.24246e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.08549e+02    7.34065e+01    5.20354e-06


DD  step 212589999  vol min/aver 0.722  load imb.: force  5.1%  pme mesh/force 0.646
           Step           Time
      212590000   425180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88616e+03    1.95954e+04    1.29872e+04    1.22773e+03   -3.01978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93102e+03    9.33551e+04    3.99400e+05   -2.34033e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63329e+04   -2.44584e+06    4.81438e+05   -1.96441e+06    2.24252e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12125e+02   -2.07589e+02    2.01472e+01    5.34611e-06


DD  step 212594999  vol min/aver 0.738  load imb.: force  3.9%  pme mesh/force 0.640
           Step           Time
      212595000   425190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97696e+03    1.94123e+04    1.32517e+04    1.18987e+03   -3.11208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86880e+03    9.30674e+04    3.99305e+05   -2.34049e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65796e+04   -2.44512e+06    4.79614e+05   -1.96551e+06    2.24258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10942e+02   -2.07618e+02   -3.95406e+00    5.35808e-06


DD  step 212599999  vol min/aver 0.764  load imb.: force  5.8%  pme mesh/force 0.660
           Step           Time
      212600000   425200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02377e+03    1.96492e+04    1.30702e+04    1.30251e+03   -3.10645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84798e+03    9.27162e+04    3.98278e+05   -2.33625e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65100e+04   -2.44628e+06    4.80164e+05   -1.96612e+06    2.24264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11299e+02   -2.06867e+02   -1.15264e+02    5.42577e-06


DD  step 212604999  vol min/aver 0.726  load imb.: force  4.8%  pme mesh/force 0.647
           Step           Time
      212605000   425210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19575e+03    1.93515e+04    1.31308e+04    1.12007e+03   -3.12919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88590e+03    9.34687e+04    3.99556e+05   -2.33875e+04   -2.97467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65092e+04   -2.44497e+06    4.80073e+05   -1.96490e+06    2.24269e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11240e+02   -2.07310e+02   -1.82983e+01    5.45557e-06


DD  step 212609999  vol min/aver 0.734  load imb.: force  4.2%  pme mesh/force 0.662
           Step           Time
      212610000   425220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98552e+03    1.89857e+04    1.31811e+04    1.23046e+03   -3.09360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91070e+03    9.30687e+04    4.00249e+05   -2.33589e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65065e+04   -2.44714e+06    4.81497e+05   -1.96564e+06    2.24275e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12163e+02   -2.06804e+02    1.16776e+01    5.47003e-06


DD  step 212614999  vol min/aver 0.732  load imb.: force  5.0%  pme mesh/force 0.662
           Step           Time
      212615000   425230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14533e+03    1.94019e+04    1.32117e+04    1.25341e+03   -2.97623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88430e+03    9.34542e+04    4.01665e+05   -2.33731e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63395e+04   -2.44475e+06    4.77659e+05   -1.96709e+06    2.24281e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09675e+02   -2.07056e+02    5.02088e+01    5.45903e-06


DD  step 212619999  vol min/aver 0.739  load imb.: force  6.3%  pme mesh/force 0.645
           Step           Time
      212620000   425240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13865e+03    1.99038e+04    1.30841e+04    1.15182e+03   -3.13017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71252e+03    9.32484e+04    4.02844e+05   -2.34420e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64497e+04   -2.44606e+06    4.81046e+05   -1.96501e+06    2.24287e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11871e+02   -2.08276e+02    1.19977e+02    5.50911e-06


DD  step 212624999  vol min/aver 0.745  load imb.: force  4.3%  pme mesh/force 0.656
           Step           Time
      212625000   425250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05955e+03    1.91363e+04    1.30856e+04    1.20467e+03   -3.14362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80828e+03    9.32848e+04    4.00836e+05   -2.33753e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65319e+04   -2.44839e+06    4.78147e+05   -1.97025e+06    2.24292e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09991e+02   -2.07093e+02   -1.20062e+01    5.24530e-06


DD  step 212629999  vol min/aver 0.750  load imb.: force  4.5%  pme mesh/force 0.662
           Step           Time
      212630000   425260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89540e+03    1.95188e+04    1.31749e+04    1.07153e+03   -3.08998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75709e+03    9.29875e+04    4.04913e+05   -2.33742e+04   -2.98283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66155e+04   -2.44836e+06    4.80042e+05   -1.96832e+06    2.24298e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.07074e+02    8.88198e+01    5.20810e-06


DD  step 212634999  vol min/aver 0.745  load imb.: force  5.3%  pme mesh/force 0.662
           Step           Time
      212635000   425270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07714e+03    1.97065e+04    1.29270e+04    1.15461e+03   -3.03870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91968e+03    9.31969e+04    4.01556e+05   -2.33341e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62629e+04   -2.44555e+06    4.81245e+05   -1.96431e+06    2.24303e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12000e+02   -2.06366e+02    2.55851e+01    5.47914e-06


DD  step 212639999  vol min/aver 0.729  load imb.: force  6.2%  pme mesh/force 0.671
           Step           Time
      212640000   425280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02108e+03    1.94465e+04    1.30202e+04    1.14188e+03   -3.13710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82164e+03    9.32083e+04    4.00700e+05   -2.33565e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64716e+04   -2.45000e+06    4.80804e+05   -1.96920e+06    2.24309e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11714e+02   -2.06761e+02   -3.89154e+01    5.60247e-06


DD  step 212644999  vol min/aver 0.754  load imb.: force  4.5%  pme mesh/force 0.662
           Step           Time
      212645000   425290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05944e+03    1.91810e+04    1.29850e+04    1.10005e+03   -3.18461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79961e+03    9.32342e+04    3.97679e+05   -2.33650e+04   -2.97424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64728e+04   -2.44727e+06    4.79692e+05   -1.96758e+06    2.24315e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.06911e+02   -1.14873e+02    5.58947e-06


DD  step 212649999  vol min/aver 0.725  load imb.: force  4.6%  pme mesh/force 0.661
           Step           Time
      212650000   425300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81209e+03    1.96782e+04    1.28750e+04    1.11445e+03   -3.11364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72208e+03    9.35194e+04    3.98361e+05   -2.33350e+04   -2.97313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64562e+04   -2.44504e+06    4.79277e+05   -1.96576e+06    2.24320e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10724e+02   -2.06381e+02   -8.28987e+01    5.44597e-06


DD  step 212654999  vol min/aver 0.764  load imb.: force  5.1%  pme mesh/force 0.666
           Step           Time
      212655000   425310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92338e+03    1.96097e+04    1.30057e+04    1.18336e+03   -3.19360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87237e+03    9.32245e+04    4.01272e+05   -2.33589e+04   -2.97732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65209e+04   -2.44626e+06    4.79703e+05   -1.96656e+06    2.24326e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11000e+02   -2.06803e+02    6.61045e+01    5.30021e-06


DD  step 212659999  vol min/aver 0.749  load imb.: force  4.7%  pme mesh/force 0.642
           Step           Time
      212660000   425320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86994e+03    1.92221e+04    1.30730e+04    1.17933e+03   -3.05173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99027e+03    9.34083e+04    3.99726e+05   -2.34161e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64255e+04   -2.44599e+06    4.80388e+05   -1.96560e+06    2.24332e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11444e+02   -2.07817e+02    3.26063e+01    5.18806e-06


DD  step 212664999  vol min/aver 0.745  load imb.: force  5.0%  pme mesh/force 0.652
           Step           Time
      212665000   425330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21783e+03    1.94700e+04    1.30339e+04    1.12030e+03   -3.10978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71531e+03    9.31531e+04    4.02288e+05   -2.34347e+04   -2.97892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63111e+04   -2.44716e+06    4.79264e+05   -1.96790e+06    2.24338e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.08145e+02    1.61038e+01    5.29806e-06


DD  step 212669999  vol min/aver 0.744  load imb.: force  3.9%  pme mesh/force 0.649
           Step           Time
      212670000   425340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14267e+03    1.94756e+04    1.30975e+04    1.12462e+03   -3.13317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69213e+03    9.29133e+04    4.00313e+05   -2.33826e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66535e+04   -2.44873e+06    4.79070e+05   -1.96966e+06    2.24344e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10590e+02   -2.07223e+02   -1.11159e+02    5.44722e-06


DD  step 212674999  vol min/aver 0.729  load imb.: force  4.9%  pme mesh/force 0.654
           Step           Time
      212675000   425350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75797e+03    1.95882e+04    1.30614e+04    1.24182e+03   -3.06175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93983e+03    9.31640e+04    3.99566e+05   -2.33886e+04   -2.97443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64572e+04   -2.44511e+06    4.80830e+05   -1.96428e+06    2.24350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11731e+02   -2.07329e+02    2.87483e+01    5.33284e-06


DD  step 212679999  vol min/aver 0.747  load imb.: force  4.6%  pme mesh/force 0.661
           Step           Time
      212680000   425360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97507e+03    1.91130e+04    1.31311e+04    1.27492e+03   -2.96494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84839e+03    9.36210e+04    4.00031e+05   -2.33798e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64812e+04   -2.44613e+06    4.80352e+05   -1.96578e+06    2.24355e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11421e+02   -2.07174e+02    3.07867e+01    5.64452e-06


DD  step 212684999  vol min/aver 0.703  load imb.: force  4.7%  pme mesh/force 0.664
           Step           Time
      212685000   425370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06038e+03    1.93963e+04    1.31750e+04    1.18815e+03   -3.12596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.05465e+03    9.27896e+04    4.00274e+05   -2.33508e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64292e+04   -2.44371e+06    4.80682e+05   -1.96303e+06    2.24361e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11635e+02   -2.06660e+02    6.84567e+01    5.24832e-06


DD  step 212689999  vol min/aver 0.764  load imb.: force  4.5%  pme mesh/force 0.667
           Step           Time
      212690000   425380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98751e+03    1.94157e+04    1.29876e+04    1.16402e+03   -3.10591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81153e+03    9.28189e+04    4.01968e+05   -2.33989e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65230e+04   -2.44650e+06    4.78877e+05   -1.96762e+06    2.24367e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.07511e+02    7.19914e+01    5.41946e-06


DD  step 212694999  vol min/aver 0.727  load imb.: force  4.2%  pme mesh/force 0.656
           Step           Time
      212695000   425390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01628e+03    1.91891e+04    1.29657e+04    1.15320e+03   -2.96871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75040e+03    9.30648e+04    4.00312e+05   -2.33432e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66828e+04   -2.44467e+06    4.78727e+05   -1.96595e+06    2.24373e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10367e+02   -2.06527e+02    8.87675e+00    5.38373e-06


DD  step 212699999  vol min/aver 0.753  load imb.: force  4.6%  pme mesh/force 0.659
           Step           Time
      212700000   425400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04008e+03    1.92686e+04    1.30209e+04    1.22568e+03   -3.13986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94810e+03    9.26623e+04    4.02959e+05   -2.34321e+04   -2.98107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63381e+04   -2.44918e+06    4.81353e+05   -1.96783e+06    2.24378e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12070e+02   -2.08100e+02    4.62997e+01    5.38178e-06


DD  step 212704999  vol min/aver 0.728  load imb.: force  4.5%  pme mesh/force 0.659
           Step           Time
      212705000   425410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12052e+03    1.95385e+04    1.30087e+04    1.16348e+03   -3.12641e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89621e+03    9.25770e+04    3.97932e+05   -2.33525e+04   -2.97111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64254e+04   -2.44393e+06    4.79420e+05   -1.96451e+06    2.24384e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.06691e+02   -7.03171e+01    5.32280e-06


DD  step 212709999  vol min/aver 0.726  load imb.: force  4.0%  pme mesh/force 0.655
           Step           Time
      212710000   425420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20296e+03    1.97178e+04    1.30779e+04    1.19046e+03   -3.14688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78698e+03    9.28530e+04    3.96336e+05   -2.33261e+04   -2.97148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64364e+04   -2.44535e+06    4.80165e+05   -1.96518e+06    2.24390e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11299e+02   -2.06223e+02   -1.55184e+02    5.35857e-06


DD  step 212714999  vol min/aver 0.699  load imb.: force  4.0%  pme mesh/force 0.651
           Step           Time
      212715000   425430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03027e+03    1.95987e+04    1.30341e+04    1.14978e+03   -2.94004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77401e+03    9.27565e+04    3.97665e+05   -2.34025e+04   -2.97246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66947e+04   -2.44510e+06    4.79759e+05   -1.96534e+06    2.24396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11036e+02   -2.07575e+02   -2.44287e+01    5.31524e-06


DD  step 212719999  vol min/aver 0.743  load imb.: force  5.5%  pme mesh/force 0.654
           Step           Time
      212720000   425440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88195e+03    1.96376e+04    1.30063e+04    1.22409e+03   -2.91061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91780e+03    9.27922e+04    4.01308e+05   -2.34113e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63883e+04   -2.44723e+06    4.79213e+05   -1.96802e+06    2.24402e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10682e+02   -2.07730e+02    8.12383e+01    5.16457e-06


DD  step 212724999  vol min/aver 0.735  load imb.: force  5.4%  pme mesh/force 0.670
           Step           Time
      212725000   425450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98430e+03    1.91220e+04    1.31782e+04    1.24409e+03   -3.11609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99347e+03    9.29143e+04    3.98697e+05   -2.33915e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62931e+04   -2.44781e+06    4.80894e+05   -1.96691e+06    2.24408e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11772e+02   -2.07381e+02   -4.74094e+01    5.08098e-06


DD  step 212729999  vol min/aver 0.694  load imb.: force  5.5%  pme mesh/force 0.671
           Step           Time
      212730000   425460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98099e+03    1.92780e+04    1.31243e+04    1.20791e+03   -3.11205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81777e+03    9.27864e+04    3.96928e+05   -2.33875e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63910e+04   -2.44792e+06    4.78810e+05   -1.96911e+06    2.24413e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10421e+02   -2.07310e+02   -1.13639e+02    5.23889e-06


DD  step 212734999  vol min/aver 0.747  load imb.: force  5.5%  pme mesh/force 0.665
           Step           Time
      212735000   425470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96554e+03    1.96651e+04    1.29937e+04    1.09731e+03   -3.11300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82859e+03    9.29581e+04    3.99483e+05   -2.34094e+04   -2.97210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64636e+04   -2.44317e+06    4.79900e+05   -1.96327e+06    2.24419e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11127e+02   -2.07697e+02    4.20643e+01    5.28063e-06


DD  step 212739999  vol min/aver 0.728  load imb.: force  5.2%  pme mesh/force 0.660
           Step           Time
      212740000   425480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20723e+03    1.92422e+04    1.30371e+04    1.20555e+03   -3.05629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92724e+03    9.30962e+04    4.00881e+05   -2.34034e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66870e+04   -2.44560e+06    4.78812e+05   -1.96678e+06    2.24425e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10423e+02   -2.07591e+02   -4.07352e+00    5.32522e-06


DD  step 212744999  vol min/aver 0.735  load imb.: force  4.2%  pme mesh/force 0.658
           Step           Time
      212745000   425490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78811e+03    1.93229e+04    1.30017e+04    1.17108e+03   -3.02643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93104e+03    9.31996e+04    4.01158e+05   -2.33681e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66034e+04   -2.44602e+06    4.79158e+05   -1.96686e+06    2.24431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10646e+02   -2.06966e+02    2.35365e+00    5.24315e-06


DD  step 212749999  vol min/aver 0.744  load imb.: force  3.6%  pme mesh/force 0.659
           Step           Time
      212750000   425500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98800e+03    1.91992e+04    1.29360e+04    1.19089e+03   -3.04679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99359e+03    9.28146e+04    4.00057e+05   -2.33423e+04   -2.97745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67669e+04   -2.44789e+06    4.80841e+05   -1.96705e+06    2.24436e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11738e+02   -2.06511e+02   -3.98343e+01    5.28253e-06


DD  step 212754999  vol min/aver 0.747  load imb.: force  5.0%  pme mesh/force 0.653
           Step           Time
      212755000   425510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05512e+03    1.96650e+04    1.31991e+04    1.17636e+03   -3.06254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81548e+03    9.30627e+04    4.01456e+05   -2.33682e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63673e+04   -2.44750e+06    4.80615e+05   -1.96689e+06    2.24442e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11591e+02   -2.06968e+02    1.30390e+01    5.43796e-06


DD  step 212759999  vol min/aver 0.719  load imb.: force  4.2%  pme mesh/force 0.652
           Step           Time
      212760000   425520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16431e+03    1.96237e+04    1.29125e+04    1.22149e+03   -3.07823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86218e+03    9.29679e+04    3.97108e+05   -2.33290e+04   -2.96979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66058e+04   -2.44273e+06    4.78229e+05   -1.96450e+06    2.24449e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.06275e+02   -8.52361e+01    5.42724e-06


DD  step 212764999  vol min/aver 0.666  load imb.: force  5.0%  pme mesh/force 0.641
           Step           Time
      212765000   425530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01123e+03    1.97041e+04    1.31700e+04    1.14857e+03   -2.94043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84761e+03    9.22259e+04    4.01400e+05   -2.33548e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67280e+04   -2.44719e+06    4.79888e+05   -1.96730e+06    2.24454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11120e+02   -2.06731e+02   -3.13206e+01    5.31117e-06


DD  step 212769999  vol min/aver 0.737  load imb.: force  4.0%  pme mesh/force 0.652
           Step           Time
      212770000   425540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11597e+03    1.94956e+04    1.31050e+04    1.14370e+03   -3.09930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97515e+03    9.30580e+04    4.00287e+05   -2.34030e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64133e+04   -2.44751e+06    4.80044e+05   -1.96746e+06    2.24460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11221e+02   -2.07584e+02   -1.92151e+01    5.36492e-06


DD  step 212774999  vol min/aver 0.730  load imb.: force  4.1%  pme mesh/force 0.652
           Step           Time
      212775000   425550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08915e+03    1.89599e+04    1.31087e+04    1.12900e+03   -3.05963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82730e+03    9.25944e+04    3.98169e+05   -2.33529e+04   -2.97365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64885e+04   -2.44670e+06    4.79248e+05   -1.96745e+06    2.24466e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10705e+02   -2.06698e+02   -1.01462e+02    5.16600e-06


DD  step 212779999  vol min/aver 0.750  load imb.: force  4.5%  pme mesh/force 0.648
           Step           Time
      212780000   425560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95141e+03    1.92170e+04    1.31431e+04    1.19051e+03   -2.99423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90949e+03    9.29050e+04    3.98927e+05   -2.33542e+04   -2.97385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63523e+04   -2.44561e+06    4.80158e+05   -1.96545e+06    2.24471e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11295e+02   -2.06721e+02   -7.56735e+01    5.26453e-06


step 212782200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 28 min 894 max 1047

DD  step 212784999 load imb.: force 13.8%  pme mesh/force 0.739
           Step           Time
      212785000   425570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69371e+03    1.95688e+04    1.30751e+04    1.17956e+03   -3.12972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95237e+03    9.28057e+04    3.98389e+05   -2.33770e+04   -2.97133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64535e+04   -2.44372e+06    4.77730e+05   -1.96599e+06    2.24477e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09721e+02   -2.07123e+02   -2.23316e+01    5.42164e-06


DD  step 212789999 load imb.: force 15.8%  pme mesh/force 0.731
           Step           Time
      212790000   425580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96501e+03    1.91887e+04    1.30872e+04    1.20261e+03   -2.99063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65336e+03    9.28831e+04    3.99951e+05   -2.33706e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63880e+04   -2.44682e+06    4.80167e+05   -1.96665e+06    2.24483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.07011e+02   -6.13607e+01    5.43149e-06


step 212790200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.2 %.

DD  step 212794999  vol min/aver 0.749  load imb.: force  4.1%  pme mesh/force 0.656
           Step           Time
      212795000   425590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02355e+03    1.96994e+04    1.30514e+04    1.18250e+03   -3.03772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81556e+03    9.30593e+04    4.00319e+05   -2.33732e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64890e+04   -2.44464e+06    4.79187e+05   -1.96546e+06    2.24489e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10666e+02   -2.07057e+02   -3.66581e+01    5.29456e-06


DD  step 212799999  vol min/aver 0.713  load imb.: force  5.0%  pme mesh/force 0.653
           Step           Time
      212800000   425600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89596e+03    1.93929e+04    1.29507e+04    1.17372e+03   -3.01546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82408e+03    9.30532e+04    3.99236e+05   -2.34282e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62969e+04   -2.44820e+06    4.79452e+05   -1.96875e+06    2.24495e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10838e+02   -2.08031e+02   -1.12205e+01    5.42162e-06


DD  step 212804999  vol min/aver 0.730  load imb.: force  4.7%  pme mesh/force 0.653
           Step           Time
      212805000   425610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09414e+03    1.93732e+04    1.29736e+04    1.20064e+03   -3.11583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77308e+03    9.25507e+04    4.03093e+05   -2.33350e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65951e+04   -2.44789e+06    4.78604e+05   -1.96929e+06    2.24500e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.06381e+02    2.83158e+01    5.15643e-06


DD  step 212809999  vol min/aver 0.749  load imb.: force  3.8%  pme mesh/force 0.650
           Step           Time
      212810000   425620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19338e+03    1.94335e+04    1.30866e+04    1.21538e+03   -3.00669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83180e+03    9.31693e+04    4.00277e+05   -2.33858e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66715e+04   -2.44701e+06    4.82607e+05   -1.96440e+06    2.24506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12883e+02   -2.07279e+02    1.94238e+00    5.50886e-06


DD  step 212814999  vol min/aver 0.725  load imb.: force  4.5%  pme mesh/force 0.660
           Step           Time
      212815000   425630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10166e+03    1.93102e+04    1.32072e+04    1.23162e+03   -3.07772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83396e+03    9.27621e+04    4.01825e+05   -2.33909e+04   -2.98088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63705e+04   -2.44970e+06    4.81016e+05   -1.96869e+06    2.24512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11851e+02   -2.07369e+02   -5.29254e+00    5.29861e-06


DD  step 212819999  vol min/aver 0.732  load imb.: force  4.2%  pme mesh/force 0.657
           Step           Time
      212820000   425640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92783e+03    1.95697e+04    1.30735e+04    1.25901e+03   -3.03265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95873e+03    9.27724e+04    4.03352e+05   -2.34018e+04   -2.98176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64529e+04   -2.44883e+06    4.78152e+05   -1.97067e+06    2.24518e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09995e+02   -2.07562e+02    1.37739e+02    5.26995e-06

Writing checkpoint, step 212820500 at Tue Nov  7 14:16:28 2023



DD  step 212824999  vol min/aver 0.757  load imb.: force  5.5%  pme mesh/force 0.656
           Step           Time
      212825000   425650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97455e+03    1.93688e+04    1.29823e+04    1.22611e+03   -3.08234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87424e+03    9.32894e+04    3.99328e+05   -2.33241e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64271e+04   -2.44574e+06    4.79038e+05   -1.96670e+06    2.24524e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10569e+02   -2.06189e+02   -5.93511e+01    5.44034e-06


DD  step 212829999  vol min/aver 0.759  load imb.: force  4.0%  pme mesh/force 0.651
           Step           Time
      212830000   425660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90270e+03    1.95823e+04    1.32162e+04    1.20809e+03   -3.00000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88371e+03    9.32880e+04    3.99469e+05   -2.33564e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65708e+04   -2.44539e+06    4.80634e+05   -1.96476e+06    2.24530e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11604e+02   -2.06760e+02    9.87216e+00    5.33137e-06


DD  step 212834999  vol min/aver 0.733  load imb.: force  4.3%  pme mesh/force 0.661
           Step           Time
      212835000   425670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15469e+03    1.95104e+04    1.30416e+04    1.25818e+03   -2.97971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77394e+03    9.31618e+04    3.98183e+05   -2.33640e+04   -2.97154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63451e+04   -2.44346e+06    4.80491e+05   -1.96297e+06    2.24535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11511e+02   -2.06893e+02   -5.83359e+00    5.37355e-06


DD  step 212839999  vol min/aver 0.714  load imb.: force  4.4%  pme mesh/force 0.655
           Step           Time
      212840000   425680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04485e+03    1.93134e+04    1.31196e+04    1.24891e+03   -3.08535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86906e+03    9.33048e+04    3.98644e+05   -2.34116e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66315e+04   -2.44885e+06    4.79460e+05   -1.96939e+06    2.24541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10842e+02   -2.07736e+02   -4.34069e+01    5.30192e-06


DD  step 212844999  vol min/aver 0.756  load imb.: force  4.6%  pme mesh/force 0.661
           Step           Time
      212845000   425690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93324e+03    1.95023e+04    1.30766e+04    1.17462e+03   -2.96359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91424e+03    9.31361e+04    4.03497e+05   -2.34074e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66637e+04   -2.44699e+06    4.81057e+05   -1.96593e+06    2.24547e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11878e+02   -2.07663e+02    1.23422e+02    5.44297e-06


DD  step 212849999  vol min/aver 0.762  load imb.: force  5.5%  pme mesh/force 0.653
           Step           Time
      212850000   425700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01609e+03    1.91569e+04    1.30346e+04    1.10853e+03   -3.02912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87402e+03    9.25682e+04    4.03985e+05   -2.34062e+04   -2.98170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65538e+04   -2.44883e+06    4.77953e+05   -1.97088e+06    2.24552e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09865e+02   -2.07640e+02    9.44690e+01    5.35287e-06


DD  step 212854999  vol min/aver 0.744  load imb.: force  4.3%  pme mesh/force 0.653
           Step           Time
      212855000   425710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09011e+03    1.96170e+04    1.32212e+04    1.18476e+03   -3.01620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01011e+03    9.30233e+04    3.99870e+05   -2.34261e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63729e+04   -2.44468e+06    4.79563e+05   -1.96512e+06    2.24558e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10909e+02   -2.07994e+02    4.78464e+01    5.35948e-06


DD  step 212859999  vol min/aver 0.703  load imb.: force  4.8%  pme mesh/force 0.651
           Step           Time
      212860000   425720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19496e+03    1.93005e+04    1.30712e+04    1.30983e+03   -2.99462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85220e+03    9.32251e+04    4.02435e+05   -2.33878e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64597e+04   -2.44441e+06    4.77934e+05   -1.96647e+06    2.24564e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09853e+02   -2.07315e+02    1.04941e+02    5.31603e-06


DD  step 212864999  vol min/aver 0.750  load imb.: force  4.5%  pme mesh/force 0.662
           Step           Time
      212865000   425730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16943e+03    1.89071e+04    1.31104e+04    1.16236e+03   -3.02799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97416e+03    9.33547e+04    3.99234e+05   -2.33955e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65017e+04   -2.44679e+06    4.78711e+05   -1.96808e+06    2.24569e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10357e+02   -2.07451e+02   -3.27956e+01    5.18398e-06


DD  step 212869999  vol min/aver 0.702  load imb.: force  5.2%  pme mesh/force 0.669
           Step           Time
      212870000   425740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93309e+03    1.96883e+04    1.32481e+04    1.27400e+03   -3.02430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90757e+03    9.30972e+04    3.98357e+05   -2.34049e+04   -2.97409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64398e+04   -2.44558e+06    4.80504e+05   -1.96507e+06    2.24575e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11519e+02   -2.07618e+02   -3.33963e+01    5.29936e-06


DD  step 212874999  vol min/aver 0.728  load imb.: force  5.9%  pme mesh/force 0.653
           Step           Time
      212875000   425750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05031e+03    1.95019e+04    1.32685e+04    1.28818e+03   -3.08526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91131e+03    9.31775e+04    4.02652e+05   -2.34117e+04   -2.97959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65198e+04   -2.44671e+06    4.82419e+05   -1.96429e+06    2.24581e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12761e+02   -2.07739e+02    1.30348e+02    5.39439e-06


DD  step 212879999  vol min/aver 0.762  load imb.: force  5.1%  pme mesh/force 0.661
           Step           Time
      212880000   425760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06214e+03    1.90092e+04    1.30708e+04    1.14465e+03   -2.97479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79932e+03    9.34661e+04    4.00642e+05   -2.34612e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64519e+04   -2.44898e+06    4.79225e+05   -1.96976e+06    2.24587e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10690e+02   -2.08618e+02    4.25165e+01    5.33244e-06


DD  step 212884999  vol min/aver 0.744  load imb.: force  4.4%  pme mesh/force 0.651
           Step           Time
      212885000   425770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11412e+03    1.91912e+04    1.29770e+04    1.11917e+03   -3.09319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84659e+03    9.32894e+04    4.01389e+05   -2.33797e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66160e+04   -2.44719e+06    4.80031e+05   -1.96716e+06    2.24593e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.07171e+02    1.54964e+01    5.45286e-06


DD  step 212889999  vol min/aver 0.747  load imb.: force  4.6%  pme mesh/force 0.652
           Step           Time
      212890000   425780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18462e+03    1.93874e+04    1.30114e+04    1.07850e+03   -2.98419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80981e+03    9.33836e+04    4.00409e+05   -2.33926e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63737e+04   -2.44560e+06    4.81509e+05   -1.96410e+06    2.24599e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12171e+02   -2.07400e+02    3.37141e+01    5.51436e-06


DD  step 212894999  vol min/aver 0.715  load imb.: force  4.1%  pme mesh/force 0.650
           Step           Time
      212895000   425790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10016e+03    1.95218e+04    1.31056e+04    1.20809e+03   -3.05429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80529e+03    9.26531e+04    4.00114e+05   -2.33865e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62745e+04   -2.44895e+06    4.78354e+05   -1.97059e+06    2.24605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10125e+02   -2.07291e+02   -5.94834e+01    5.28645e-06


DD  step 212899999  vol min/aver 0.758  load imb.: force  5.1%  pme mesh/force 0.664
           Step           Time
      212900000   425800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83785e+03    1.94416e+04    1.30530e+04    1.14660e+03   -3.04026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99006e+03    9.31227e+04    4.05528e+05   -2.33893e+04   -2.98296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66500e+04   -2.44762e+06    4.79482e+05   -1.96814e+06    2.24611e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10856e+02   -2.07342e+02    1.64150e+02    5.37246e-06


DD  step 212904999  vol min/aver 0.743  load imb.: force  4.6%  pme mesh/force 0.660
           Step           Time
      212905000   425810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90303e+03    1.96388e+04    1.30625e+04    1.20244e+03   -3.02768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95328e+03    9.25701e+04    3.99001e+05   -2.33711e+04   -2.97564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65269e+04   -2.44718e+06    4.78844e+05   -1.96834e+06    2.24616e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10443e+02   -2.07019e+02   -3.73868e+01    5.27986e-06


DD  step 212909999  vol min/aver 0.744  load imb.: force  4.3%  pme mesh/force 0.659
           Step           Time
      212910000   425820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94564e+03    1.96404e+04    1.31921e+04    1.17591e+03   -3.09635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85363e+03    9.26540e+04    4.02232e+05   -2.34090e+04   -2.97745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63585e+04   -2.44591e+06    4.78974e+05   -1.96693e+06    2.24622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10528e+02   -2.07690e+02    6.33471e+01    5.49090e-06


DD  step 212914999  vol min/aver 0.746  load imb.: force  4.4%  pme mesh/force 0.646
           Step           Time
      212915000   425830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10255e+03    1.91718e+04    1.31250e+04    1.28276e+03   -3.02529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86730e+03    9.31047e+04    4.02411e+05   -2.33768e+04   -2.98182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62281e+04   -2.44993e+06    4.77867e+05   -1.97206e+06    2.24628e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.07120e+02   -6.14871e+00    5.55722e-06


DD  step 212919999  vol min/aver 0.705  load imb.: force  5.3%  pme mesh/force 0.678
           Step           Time
      212920000   425840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11975e+03    1.93883e+04    1.29587e+04    1.18499e+03   -3.03171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79715e+03    9.29921e+04    4.01655e+05   -2.33810e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64741e+04   -2.44607e+06    4.78817e+05   -1.96725e+06    2.24634e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.07194e+02    3.03570e+01    5.26897e-06


DD  step 212924999  vol min/aver 0.747  load imb.: force  4.4%  pme mesh/force 0.655
           Step           Time
      212925000   425850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98155e+03    1.93638e+04    1.31989e+04    1.15828e+03   -3.08711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74469e+03    9.30183e+04    4.01752e+05   -2.33393e+04   -2.97939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65625e+04   -2.44804e+06    4.77791e+05   -1.97025e+06    2.24640e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09761e+02   -2.06456e+02   -6.02508e+01    5.38400e-06


DD  step 212929999  vol min/aver 0.739  load imb.: force  4.7%  pme mesh/force 0.657
           Step           Time
      212930000   425860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93152e+03    1.97210e+04    1.29599e+04    1.20321e+03   -3.09012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83006e+03    9.31672e+04    4.00876e+05   -2.33945e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64362e+04   -2.44463e+06    4.81322e+05   -1.96331e+06    2.24645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12050e+02   -2.07433e+02    3.10214e+01    5.30813e-06


DD  step 212934999  vol min/aver 0.743  load imb.: force  5.8%  pme mesh/force 0.674
           Step           Time
      212935000   425870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94238e+03    1.93789e+04    1.31552e+04    1.16377e+03   -3.03579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83196e+03    9.23286e+04    4.00579e+05   -2.33171e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65255e+04   -2.44955e+06    4.82072e+05   -1.96748e+06    2.24651e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12536e+02   -2.06065e+02   -3.24933e+01    5.43272e-06


DD  step 212939999  vol min/aver 0.714  load imb.: force  4.9%  pme mesh/force 0.653
           Step           Time
      212940000   425880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12847e+03    1.96264e+04    1.31581e+04    1.23312e+03   -3.17660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75224e+03    9.32917e+04    4.02482e+05   -2.33538e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67619e+04   -2.44683e+06    4.80362e+05   -1.96646e+06    2.24657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.06713e+02    4.27708e+01    5.32971e-06


DD  step 212944999  vol min/aver 0.706  load imb.: force  4.7%  pme mesh/force 0.659
           Step           Time
      212945000   425890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10714e+03    1.92985e+04    1.30740e+04    1.17796e+03   -2.99132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80347e+03    9.31060e+04    4.02877e+05   -2.34033e+04   -2.98036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63289e+04   -2.44798e+06    4.81770e+05   -1.96621e+06    2.24663e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12340e+02   -2.07589e+02    6.74557e+01    5.30657e-06


DD  step 212949999  vol min/aver 0.718  load imb.: force  5.1%  pme mesh/force 0.646
           Step           Time
      212950000   425900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33207e+03    1.88431e+04    1.31466e+04    1.19897e+03   -3.12885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83512e+03    9.28013e+04    4.05006e+05   -2.34319e+04   -2.98595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64052e+04   -2.45194e+06    4.79606e+05   -1.97234e+06    2.24668e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10937e+02   -2.08096e+02    7.12142e+01    5.17662e-06


DD  step 212954999  vol min/aver 0.753  load imb.: force  4.4%  pme mesh/force 0.664
           Step           Time
      212955000   425910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89529e+03    1.92030e+04    1.30937e+04    1.21366e+03   -3.07596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94234e+03    9.26884e+04    4.01820e+05   -2.33916e+04   -2.98203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65172e+04   -2.45112e+06    4.78552e+05   -1.97257e+06    2.24674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.07383e+02    2.85528e+01    5.36375e-06


DD  step 212959999  vol min/aver 0.740  load imb.: force  4.2%  pme mesh/force 0.646
           Step           Time
      212960000   425920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94854e+03    1.95331e+04    1.31557e+04    1.19472e+03   -3.04533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99301e+03    9.31621e+04    3.99040e+05   -2.33517e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63583e+04   -2.44678e+06    4.79522e+05   -1.96726e+06    2.24680e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.06677e+02   -1.98974e+01    5.28905e-06


DD  step 212964999  vol min/aver 0.745  load imb.: force  3.9%  pme mesh/force 0.655
           Step           Time
      212965000   425930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25360e+03    1.93610e+04    1.29922e+04    1.17886e+03   -3.08170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77505e+03    9.26806e+04    3.99191e+05   -2.33926e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64450e+04   -2.44945e+06    4.80482e+05   -1.96897e+06    2.24685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11505e+02   -2.07400e+02   -7.06027e+01    5.26248e-06


DD  step 212969999  vol min/aver 0.759  load imb.: force  5.1%  pme mesh/force 0.660
           Step           Time
      212970000   425940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09452e+03    1.93372e+04    1.30913e+04    1.30650e+03   -3.03646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77998e+03    9.30038e+04    3.99273e+05   -2.33613e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65567e+04   -2.44514e+06    4.79055e+05   -1.96609e+06    2.24692e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10580e+02   -2.06847e+02   -3.08637e+01    5.37472e-06


DD  step 212974999  vol min/aver 0.758  load imb.: force  5.0%  pme mesh/force 0.658
           Step           Time
      212975000   425950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04977e+03    1.89440e+04    1.29934e+04    1.17858e+03   -3.02334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70807e+03    9.30278e+04    4.00786e+05   -2.33712e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63848e+04   -2.44830e+06    4.79750e+05   -1.96855e+06    2.24697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.07021e+02   -1.03839e+01    5.39861e-06


DD  step 212979999  vol min/aver 0.718  load imb.: force  4.3%  pme mesh/force 0.653
           Step           Time
      212980000   425960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99708e+03    1.95119e+04    1.31233e+04    1.10224e+03   -3.12921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79886e+03    9.32618e+04    3.99005e+05   -2.33630e+04   -2.97517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64863e+04   -2.44638e+06    4.79053e+05   -1.96733e+06    2.24703e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10578e+02   -2.06876e+02   -4.94867e+01    5.34966e-06


DD  step 212984999  vol min/aver 0.765  load imb.: force  3.7%  pme mesh/force 0.656
           Step           Time
      212985000   425970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24293e+03    1.93010e+04    1.29680e+04    1.19228e+03   -2.99282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75545e+03    9.31184e+04    4.01341e+05   -2.33745e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66387e+04   -2.44727e+06    4.80912e+05   -1.96636e+06    2.24708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11784e+02   -2.07080e+02   -3.01455e+01    5.48906e-06


DD  step 212989999  vol min/aver 0.727  load imb.: force  4.5%  pme mesh/force 0.642
           Step           Time
      212990000   425980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16983e+03    1.99941e+04    1.30223e+04    1.13734e+03   -3.13651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83150e+03    9.29459e+04    4.01540e+05   -2.33824e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66486e+04   -2.44606e+06    4.79153e+05   -1.96691e+06    2.24715e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10644e+02   -2.07219e+02    2.72454e+01    5.20110e-06


DD  step 212994999  vol min/aver 0.760  load imb.: force  5.6%  pme mesh/force 0.658
           Step           Time
      212995000   425990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07653e+03    1.95840e+04    1.29511e+04    1.18270e+03   -3.06809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85785e+03    9.30822e+04    3.99702e+05   -2.33873e+04   -2.97593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63027e+04   -2.44665e+06    4.80044e+05   -1.96660e+06    2.24720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11221e+02   -2.07306e+02   -6.76262e+00    5.38739e-06


DD  step 212999999  vol min/aver 0.752  load imb.: force  4.7%  pme mesh/force 0.662
           Step           Time
      213000000   426000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84609e+03    1.93700e+04    1.31861e+04    1.20916e+03   -3.03125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87400e+03    9.32100e+04    3.99552e+05   -2.33518e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65721e+04   -2.44454e+06    4.80688e+05   -1.96385e+06    2.24726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.06677e+02   -1.09429e+01    5.36617e-06


DD  step 213004999  vol min/aver 0.766  load imb.: force  4.6%  pme mesh/force 0.655
           Step           Time
      213005000   426010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05602e+03    1.91705e+04    1.29461e+04    1.20258e+03   -3.02902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90182e+03    9.32467e+04    3.99708e+05   -2.33574e+04   -2.97467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66437e+04   -2.44518e+06    4.77819e+05   -1.96736e+06    2.24731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09779e+02   -2.06778e+02    1.90978e+01    5.32368e-06


DD  step 213009999  vol min/aver 0.737  load imb.: force  4.9%  pme mesh/force 0.659
           Step           Time
      213010000   426020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95578e+03    1.91649e+04    1.30615e+04    1.13762e+03   -3.07592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86445e+03    9.29076e+04    3.99784e+05   -2.33368e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64764e+04   -2.44705e+06    4.79225e+05   -1.96782e+06    2.24737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10690e+02   -2.06414e+02   -4.64220e+01    5.45399e-06


DD  step 213014999  vol min/aver 0.734  load imb.: force  4.3%  pme mesh/force 0.649
           Step           Time
      213015000   426030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16059e+03    1.92271e+04    1.29839e+04    1.20016e+03   -3.06058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86909e+03    9.26762e+04    4.01475e+05   -2.33909e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63783e+04   -2.44789e+06    4.78554e+05   -1.96934e+06    2.24743e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10255e+02   -2.07370e+02    3.95853e+01    5.37561e-06


DD  step 213019999  vol min/aver 0.700  load imb.: force  4.6%  pme mesh/force 0.656
           Step           Time
      213020000   426040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68448e+03    1.95971e+04    1.31329e+04    1.21158e+03   -3.10344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93328e+03    9.32051e+04    4.00764e+05   -2.33666e+04   -2.97519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63236e+04   -2.44481e+06    4.79887e+05   -1.96492e+06    2.24748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11119e+02   -2.06939e+02    5.81667e+01    5.27758e-06


DD  step 213024999  vol min/aver 0.711  load imb.: force  4.7%  pme mesh/force 0.638
           Step           Time
      213025000   426050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85983e+03    1.96541e+04    1.32582e+04    1.18006e+03   -3.06751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98890e+03    9.26796e+04    3.98687e+05   -2.33822e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64197e+04   -2.44755e+06    4.78600e+05   -1.96895e+06    2.24754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10285e+02   -2.07216e+02   -1.29516e+01    5.29462e-06


DD  step 213029999  vol min/aver 0.734  load imb.: force  5.0%  pme mesh/force 0.660
           Step           Time
      213030000   426060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96460e+03    1.93178e+04    1.31071e+04    1.21678e+03   -3.13203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97010e+03    9.29349e+04    4.03102e+05   -2.33793e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66785e+04   -2.44590e+06    4.82768e+05   -1.96313e+06    2.24759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12987e+02   -2.07164e+02    7.65537e+01    5.34997e-06


DD  step 213034999  vol min/aver 0.736  load imb.: force  3.7%  pme mesh/force 0.646
           Step           Time
      213035000   426070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09334e+03    1.94261e+04    1.31718e+04    1.14982e+03   -3.00523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76412e+03    9.26589e+04    4.00947e+05   -2.33499e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63703e+04   -2.44614e+06    4.78908e+05   -1.96723e+06    2.24766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10484e+02   -2.06644e+02   -1.61159e+01    5.30785e-06


DD  step 213039999  vol min/aver 0.724  load imb.: force  4.5%  pme mesh/force 0.642
           Step           Time
      213040000   426080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14674e+03    1.96726e+04    1.30675e+04    1.26170e+03   -3.13559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86246e+03    9.29940e+04    4.00532e+05   -2.33889e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64512e+04   -2.44740e+06    4.78269e+05   -1.96913e+06    2.24772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10070e+02   -2.07334e+02   -2.13057e+01    5.32811e-06


DD  step 213044999  vol min/aver 0.739  load imb.: force  5.0%  pme mesh/force 0.657
           Step           Time
      213045000   426090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03723e+03    1.94608e+04    1.28618e+04    1.25626e+03   -3.00687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86972e+03    9.30572e+04    3.98562e+05   -2.33897e+04   -2.97404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65661e+04   -2.44576e+06    4.80896e+05   -1.96487e+06    2.24777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11773e+02   -2.07348e+02   -5.30077e+01    5.19773e-06


DD  step 213049999  vol min/aver 0.707  load imb.: force  4.8%  pme mesh/force 0.646
           Step           Time
      213050000   426100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98033e+03    1.98672e+04    1.30147e+04    1.25083e+03   -3.06409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86810e+03    9.26817e+04    4.03521e+05   -2.33839e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64028e+04   -2.44663e+06    4.78556e+05   -1.96807e+06    2.24784e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10256e+02   -2.07245e+02    1.09636e+02    5.25991e-06


DD  step 213054999  vol min/aver 0.715  load imb.: force  3.9%  pme mesh/force 0.649
           Step           Time
      213055000   426110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17011e+03    1.94852e+04    1.31808e+04    1.18221e+03   -3.01045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74003e+03    9.24072e+04    3.98987e+05   -2.33695e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65363e+04   -2.44666e+06    4.80563e+05   -1.96610e+06    2.24789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.06991e+02   -4.07595e+01    5.12309e-06


DD  step 213059999  vol min/aver 0.728  load imb.: force  5.1%  pme mesh/force 0.645
           Step           Time
      213060000   426120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33678e+03    1.93407e+04    1.30322e+04    1.14777e+03   -3.04840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80620e+03    9.27166e+04    3.99579e+05   -2.34252e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63960e+04   -2.44831e+06    4.79386e+05   -1.96893e+06    2.24795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10795e+02   -2.07978e+02   -2.91498e+01    5.42391e-06


DD  step 213064999  vol min/aver 0.722  load imb.: force  6.9%  pme mesh/force 0.685
           Step           Time
      213065000   426130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19321e+03    1.91330e+04    1.30783e+04    1.16743e+03   -3.00676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84256e+03    9.28772e+04    3.98482e+05   -2.33970e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63217e+04   -2.45085e+06    4.80113e+05   -1.97073e+06    2.24800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11266e+02   -2.07478e+02   -3.60672e+01    5.26522e-06


DD  step 213069999  vol min/aver 0.740  load imb.: force  4.8%  pme mesh/force 0.644
           Step           Time
      213070000   426140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06429e+03    2.01950e+04    1.30381e+04    1.28130e+03   -3.05624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82378e+03    9.27826e+04    3.97251e+05   -2.33553e+04   -2.97038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66731e+04   -2.44268e+06    4.81803e+05   -1.96088e+06    2.24806e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12362e+02   -2.06740e+02   -6.72023e+01    5.40584e-06


DD  step 213074999  vol min/aver 0.753  load imb.: force  4.7%  pme mesh/force 0.651
           Step           Time
      213075000   426150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07703e+03    1.92446e+04    1.30257e+04    1.19014e+03   -3.05520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84403e+03    9.29506e+04    4.00489e+05   -2.33772e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65065e+04   -2.44704e+06    4.79737e+05   -1.96731e+06    2.24812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.07128e+02    4.10933e+01    5.39349e-06


DD  step 213079999  vol min/aver 0.738  load imb.: force  5.1%  pme mesh/force 0.645
           Step           Time
      213080000   426160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09101e+03    1.94234e+04    1.30990e+04    1.23189e+03   -3.12974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78910e+03    9.26128e+04    3.99864e+05   -2.33420e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64062e+04   -2.44743e+06    4.80295e+05   -1.96714e+06    2.24818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11384e+02   -2.06504e+02   -5.83012e+01    5.41875e-06


DD  step 213084999  vol min/aver 0.813  load imb.: force  3.8%  pme mesh/force 0.653
           Step           Time
      213085000   426170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26701e+03    1.98455e+04    1.30344e+04    1.10799e+03   -3.14070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80041e+03    9.28592e+04    4.02070e+05   -2.33532e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65716e+04   -2.44529e+06    4.80610e+05   -1.96468e+06    2.24824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11588e+02   -2.06702e+02    3.50116e+01    5.52953e-06


DD  step 213089999  vol min/aver 0.781  load imb.: force  4.1%  pme mesh/force 0.661
           Step           Time
      213090000   426180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98887e+03    1.95294e+04    1.30464e+04    1.18909e+03   -3.05347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80626e+03    9.28220e+04    4.02456e+05   -2.33849e+04   -2.97944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62620e+04   -2.44778e+06    4.80417e+05   -1.96736e+06    2.24829e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11463e+02   -2.07264e+02    7.21654e+01    5.22631e-06


DD  step 213094999  vol min/aver 0.752  load imb.: force  4.5%  pme mesh/force 0.652
           Step           Time
      213095000   426190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14987e+03    1.95345e+04    1.29293e+04    1.15344e+03   -3.00304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90233e+03    9.26988e+04    3.99897e+05   -2.33789e+04   -2.97346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65339e+04   -2.44405e+06    4.80320e+05   -1.96373e+06    2.24835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11400e+02   -2.07157e+02    3.79721e+01    5.40162e-06


DD  step 213099999  vol min/aver 0.779  load imb.: force  4.3%  pme mesh/force 0.647
           Step           Time
      213100000   426200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15530e+03    1.95200e+04    1.30533e+04    1.20144e+03   -2.97776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75790e+03    9.32447e+04    4.00838e+05   -2.33210e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65957e+04   -2.44506e+06    4.78609e+05   -1.96645e+06    2.24841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10291e+02   -2.06134e+02   -6.22556e+01    5.20570e-06


DD  step 213104999  vol min/aver 0.730  load imb.: force  3.9%  pme mesh/force 0.648
           Step           Time
      213105000   426210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75727e+03    1.98553e+04    1.30115e+04    1.18327e+03   -3.07252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83519e+03    9.28766e+04    4.02111e+05   -2.34067e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62632e+04   -2.44859e+06    4.78088e+05   -1.97050e+06    2.24847e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09953e+02   -2.07649e+02    5.22006e+01    5.15276e-06


DD  step 213109999  vol min/aver 0.765  load imb.: force  4.4%  pme mesh/force 0.657
           Step           Time
      213110000   426220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09504e+03    1.92376e+04    1.29517e+04    1.20000e+03   -3.01057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78424e+03    9.32822e+04    4.00547e+05   -2.33842e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66129e+04   -2.44690e+06    4.79189e+05   -1.96771e+06    2.24852e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.07252e+02   -1.99665e+01    5.35371e-06


DD  step 213114999  vol min/aver 0.726  load imb.: force  7.3%  pme mesh/force 0.675
           Step           Time
      213115000   426230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85691e+03    1.96547e+04    1.30830e+04    1.12134e+03   -3.01984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91093e+03    9.29681e+04    4.00635e+05   -2.34469e+04   -2.97915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65617e+04   -2.44882e+06    4.80013e+05   -1.96881e+06    2.24858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11201e+02   -2.08363e+02    5.75936e+01    5.59352e-06


DD  step 213119999  vol min/aver 0.788  load imb.: force  5.2%  pme mesh/force 0.649
           Step           Time
      213120000   426240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16508e+03    1.98449e+04    1.29794e+04    1.22974e+03   -3.08728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92783e+03    9.27341e+04    4.03173e+05   -2.34156e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63908e+04   -2.44376e+06    4.80279e+05   -1.96348e+06    2.24864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11374e+02   -2.07807e+02    1.94480e+02    5.46143e-06


DD  step 213124999  vol min/aver 0.742  load imb.: force  5.5%  pme mesh/force 0.665
           Step           Time
      213125000   426250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19354e+03    1.94430e+04    1.30679e+04    1.21114e+03   -3.12337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82545e+03    9.26921e+04    4.01680e+05   -2.33820e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65102e+04   -2.44601e+06    4.79241e+05   -1.96677e+06    2.24869e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10701e+02   -2.07212e+02    6.31958e+00    5.40897e-06


DD  step 213129999  vol min/aver 0.784  load imb.: force  4.6%  pme mesh/force 0.647
           Step           Time
      213130000   426260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79873e+03    1.94608e+04    1.28288e+04    1.13667e+03   -3.12529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84328e+03    9.29615e+04    4.02386e+05   -2.34003e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64217e+04   -2.44738e+06    4.78245e+05   -1.96914e+06    2.24875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10055e+02   -2.07537e+02    8.08414e+01    5.36447e-06


DD  step 213134999  vol min/aver 0.755  load imb.: force  4.7%  pme mesh/force 0.644
           Step           Time
      213135000   426270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76631e+03    1.95407e+04    1.30633e+04    1.17107e+03   -3.05886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86869e+03    9.31538e+04    3.99249e+05   -2.34077e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63707e+04   -2.44875e+06    4.80277e+05   -1.96848e+06    2.24881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.07667e+02   -1.51635e+01    5.34743e-06


DD  step 213139999  vol min/aver 0.760  load imb.: force  3.7%  pme mesh/force 0.657
           Step           Time
      213140000   426280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86533e+03    1.92979e+04    1.28064e+04    1.09393e+03   -3.07408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83237e+03    9.31077e+04    4.01649e+05   -2.33885e+04   -2.97972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65895e+04   -2.44894e+06    4.80364e+05   -1.96858e+06    2.24887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11429e+02   -2.07328e+02    5.97220e+01    5.36282e-06


DD  step 213144999  vol min/aver 0.764  load imb.: force  3.6%  pme mesh/force 0.668
           Step           Time
      213145000   426290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25595e+03    1.94037e+04    1.31616e+04    1.21456e+03   -3.10526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87405e+03    9.32676e+04    3.99453e+05   -2.34116e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64403e+04   -2.44519e+06    4.78658e+05   -1.96653e+06    2.24893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10322e+02   -2.07737e+02   -2.07011e+01    5.40764e-06


DD  step 213149999  vol min/aver 0.748  load imb.: force  4.0%  pme mesh/force 0.649
           Step           Time
      213150000   426300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24000e+03    1.98467e+04    1.30440e+04    1.25423e+03   -2.99102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88041e+03    9.30967e+04    3.99054e+05   -2.33522e+04   -2.97314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64888e+04   -2.44357e+06    4.79371e+05   -1.96420e+06    2.24899e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10785e+02   -2.06684e+02   -4.23113e+01    5.44369e-06


DD  step 213154999  vol min/aver 0.774  load imb.: force  4.2%  pme mesh/force 0.651
           Step           Time
      213155000   426310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99984e+03    1.95664e+04    1.28269e+04    1.10662e+03   -2.83867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84986e+03    9.25680e+04    3.98428e+05   -2.33719e+04   -2.97258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64820e+04   -2.44496e+06    4.81256e+05   -1.96370e+06    2.24905e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12007e+02   -2.07033e+02   -3.67080e+01    5.38146e-06


DD  step 213159999  vol min/aver 0.742  load imb.: force  4.6%  pme mesh/force 0.652
           Step           Time
      213160000   426320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07892e+03    1.90260e+04    1.28465e+04    1.14001e+03   -3.05340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89146e+03    9.33643e+04    4.00670e+05   -2.34051e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64623e+04   -2.44836e+06    4.78273e+05   -1.97008e+06    2.24910e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10073e+02   -2.07621e+02   -2.16533e+01    5.36967e-06


DD  step 213164999  vol min/aver 0.746  load imb.: force  4.2%  pme mesh/force 0.658
           Step           Time
      213165000   426330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96473e+03    1.97468e+04    1.30666e+04    1.19499e+03   -3.03009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91305e+03    9.27687e+04    3.99558e+05   -2.33172e+04   -2.97475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66662e+04   -2.44521e+06    4.80774e+05   -1.96444e+06    2.24916e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11694e+02   -2.06066e+02   -6.77029e+01    5.28103e-06


DD  step 213169999  vol min/aver 0.739  load imb.: force  6.6%  pme mesh/force 0.681
           Step           Time
      213170000   426340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94227e+03    1.93917e+04    1.29783e+04    1.30123e+03   -2.97530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84674e+03    9.29601e+04    4.00939e+05   -2.33873e+04   -2.97399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67661e+04   -2.44323e+06    4.78009e+05   -1.96522e+06    2.24922e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09902e+02   -2.07305e+02    6.76902e+01    5.38415e-06


DD  step 213174999  vol min/aver 0.750  load imb.: force  5.7%  pme mesh/force 0.650
           Step           Time
      213175000   426350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91676e+03    1.99135e+04    1.29040e+04    1.13911e+03   -2.97891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97843e+03    9.29093e+04    4.00183e+05   -2.33560e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65858e+04   -2.44693e+06    4.81852e+05   -1.96508e+06    2.24928e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12393e+02   -2.06752e+02   -2.34593e+00    5.44885e-06


DD  step 213179999  vol min/aver 0.752  load imb.: force  4.3%  pme mesh/force 0.651
           Step           Time
      213180000   426360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85038e+03    1.94254e+04    1.30658e+04    1.19554e+03   -2.95575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75880e+03    9.32403e+04    4.03473e+05   -2.33891e+04   -2.98380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64176e+04   -2.45071e+06    4.80303e+05   -1.97041e+06    2.24934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.07338e+02    3.85926e+01    5.42708e-06


DD  step 213184999  vol min/aver 0.761  load imb.: force  4.6%  pme mesh/force 0.670
           Step           Time
      213185000   426370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88943e+03    1.91607e+04    1.30507e+04    1.21029e+03   -3.00730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82504e+03    9.32951e+04    3.98913e+05   -2.34102e+04   -2.97775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64941e+04   -2.44933e+06    4.81247e+05   -1.96808e+06    2.24939e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12001e+02   -2.07712e+02   -1.43914e+01    5.45750e-06


DD  step 213189999  vol min/aver 0.759  load imb.: force  6.8%  pme mesh/force 0.675
           Step           Time
      213190000   426380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98446e+03    1.95915e+04    1.30739e+04    1.13145e+03   -2.98303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66663e+03    9.30749e+04    4.01131e+05   -2.33537e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64090e+04   -2.44835e+06    4.80717e+05   -1.96763e+06    2.24945e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11657e+02   -2.06711e+02   -2.80970e+01    5.32511e-06


DD  step 213194999  vol min/aver 0.760  load imb.: force  4.6%  pme mesh/force 0.641
           Step           Time
      213195000   426390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01501e+03    1.95338e+04    1.29720e+04    1.15979e+03   -2.94961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94294e+03    9.29771e+04    4.00539e+05   -2.33550e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65625e+04   -2.44496e+06    4.81045e+05   -1.96391e+06    2.24951e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11870e+02   -2.06735e+02    4.43392e+01    5.19567e-06


DD  step 213199999  vol min/aver 0.729  load imb.: force  3.9%  pme mesh/force 0.651
           Step           Time
      213200000   426400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10740e+03    1.93669e+04    1.30796e+04    1.17364e+03   -3.04559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83703e+03    9.32194e+04    4.00746e+05   -2.34232e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65372e+04   -2.44643e+06    4.76832e+05   -1.96960e+06    2.24958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09139e+02   -2.07942e+02    3.49215e+01    5.29307e-06

Writing checkpoint, step 213204200 at Tue Nov  7 14:31:28 2023



DD  step 213204999  vol min/aver 0.700  load imb.: force  4.1%  pme mesh/force 0.660
           Step           Time
      213205000   426410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09903e+03    1.96492e+04    1.29995e+04    1.19847e+03   -3.07894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86315e+03    9.33438e+04    4.00911e+05   -2.33653e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64919e+04   -2.44741e+06    4.79895e+05   -1.96751e+06    2.24963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11125e+02   -2.06916e+02    9.95769e+00    5.19652e-06


DD  step 213209999  vol min/aver 0.783  load imb.: force  5.0%  pme mesh/force 0.660
           Step           Time
      213210000   426420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05263e+03    1.93835e+04    1.30617e+04    1.21654e+03   -3.10103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82301e+03    9.29712e+04    3.98647e+05   -2.34089e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64947e+04   -2.44680e+06    4.79975e+05   -1.96682e+06    2.24969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.07689e+02   -4.01687e+01    5.40415e-06


DD  step 213214999  vol min/aver 0.755  load imb.: force  5.4%  pme mesh/force 0.659
           Step           Time
      213215000   426430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10468e+03    1.98852e+04    1.29001e+04    1.20318e+03   -3.04470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81780e+03    9.30791e+04    3.99229e+05   -2.33751e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67021e+04   -2.44638e+06    4.79456e+05   -1.96693e+06    2.24975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10840e+02   -2.07089e+02   -6.24442e+01    5.38188e-06


DD  step 213219999  vol min/aver 0.721  load imb.: force  4.0%  pme mesh/force 0.653
           Step           Time
      213220000   426440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22791e+03    1.93845e+04    1.30299e+04    1.16299e+03   -2.90447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79088e+03    9.33764e+04    4.00962e+05   -2.33609e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65970e+04   -2.44658e+06    4.78449e+05   -1.96813e+06    2.24981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10187e+02   -2.06840e+02   -6.49974e+01    5.23050e-06


DD  step 213224999  vol min/aver 0.735  load imb.: force  4.8%  pme mesh/force 0.660
           Step           Time
      213225000   426450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06045e+03    1.93173e+04    1.27418e+04    1.12777e+03   -2.85062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86949e+03    9.38584e+04    3.99029e+05   -2.33937e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63145e+04   -2.44992e+06    4.80287e+05   -1.96963e+06    2.24987e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.07419e+02   -5.19925e+01    5.39022e-06


DD  step 213229999  vol min/aver 0.721  load imb.: force  5.2%  pme mesh/force 0.657
           Step           Time
      213230000   426460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85295e+03    1.93530e+04    1.31621e+04    1.18888e+03   -3.04901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78250e+03    9.34589e+04    4.01913e+05   -2.34222e+04   -2.98044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64037e+04   -2.44879e+06    4.80648e+05   -1.96815e+06    2.24992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11613e+02   -2.07925e+02   -3.74097e+00    5.26285e-06


DD  step 213234999  vol min/aver 0.774  load imb.: force  4.0%  pme mesh/force 0.645
           Step           Time
      213235000   426470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26546e+03    1.96697e+04    1.27874e+04    1.13951e+03   -2.89972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74318e+03    9.29126e+04    3.98861e+05   -2.33920e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63063e+04   -2.44606e+06    4.78102e+05   -1.96796e+06    2.24998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.07389e+02   -6.78762e+01    5.33839e-06


DD  step 213239999  vol min/aver 0.748  load imb.: force  3.6%  pme mesh/force 0.652
           Step           Time
      213240000   426480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90884e+03    1.93730e+04    1.31675e+04    1.22970e+03   -3.06095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92868e+03    9.37287e+04    3.99290e+05   -2.34116e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65469e+04   -2.44818e+06    4.81736e+05   -1.96644e+06    2.25003e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12318e+02   -2.07737e+02    1.79451e+01    5.25210e-06


DD  step 213244999  vol min/aver 0.731  load imb.: force  4.5%  pme mesh/force 0.675
           Step           Time
      213245000   426490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12783e+03    1.93363e+04    1.29696e+04    1.11195e+03   -3.04960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95252e+03    9.35522e+04    4.00875e+05   -2.33537e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63471e+04   -2.44604e+06    4.80686e+05   -1.96535e+06    2.25009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11637e+02   -2.06712e+02   -2.96235e+01    5.39941e-06


DD  step 213249999  vol min/aver 0.742  load imb.: force  4.4%  pme mesh/force 0.653
           Step           Time
      213250000   426500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07133e+03    1.97883e+04    1.29983e+04    1.22270e+03   -2.98483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92911e+03    9.31965e+04    4.00343e+05   -2.33520e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64505e+04   -2.44549e+06    4.80582e+05   -1.96491e+06    2.25016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11570e+02   -2.06681e+02   -2.90190e+01    5.16317e-06


DD  step 213254999  vol min/aver 0.733  load imb.: force  4.0%  pme mesh/force 0.653
           Step           Time
      213255000   426510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79490e+03    1.93365e+04    1.29291e+04    1.13624e+03   -2.92070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89061e+03    9.36120e+04    3.99464e+05   -2.33909e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62595e+04   -2.44818e+06    4.80470e+05   -1.96771e+06    2.25021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11497e+02   -2.07370e+02   -4.53622e+01    5.21649e-06


DD  step 213259999  vol min/aver 0.718  load imb.: force  3.7%  pme mesh/force 0.653
           Step           Time
      213260000   426520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87249e+03    1.96395e+04    1.29345e+04    1.11188e+03   -2.95766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74332e+03    9.34509e+04    3.98299e+05   -2.33333e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66721e+04   -2.44712e+06    4.80603e+05   -1.96651e+06    2.25027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11583e+02   -2.06350e+02   -1.30097e+02    5.32838e-06


DD  step 213264999  vol min/aver 0.711  load imb.: force  5.0%  pme mesh/force 0.650
           Step           Time
      213265000   426530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11308e+03    1.95740e+04    1.32339e+04    1.16755e+03   -2.94210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77010e+03    9.34419e+04    3.98448e+05   -2.33392e+04   -2.97259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65541e+04   -2.44357e+06    4.78673e+05   -1.96490e+06    2.25034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10332e+02   -2.06456e+02   -5.66895e+01    5.23598e-06


DD  step 213269999  vol min/aver 0.748  load imb.: force  5.1%  pme mesh/force 0.675
           Step           Time
      213270000   426540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97993e+03    1.95112e+04    1.30131e+04    1.12976e+03   -3.05574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80673e+03    9.35556e+04    4.01133e+05   -2.33550e+04   -2.97462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65165e+04   -2.44339e+06    4.78614e+05   -1.96477e+06    2.25039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10294e+02   -2.06734e+02    2.09889e+01    5.27477e-06


DD  step 213274999  vol min/aver 0.736  load imb.: force  5.0%  pme mesh/force 0.661
           Step           Time
      213275000   426550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07981e+03    1.99820e+04    1.31713e+04    1.22906e+03   -3.04691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81874e+03    9.30865e+04    4.01547e+05   -2.33523e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64431e+04   -2.44627e+06    4.81266e+05   -1.96500e+06    2.25045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12014e+02   -2.06686e+02   -3.28203e+01    5.39283e-06


DD  step 213279999  vol min/aver 0.717  load imb.: force  4.3%  pme mesh/force 0.655
           Step           Time
      213280000   426560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09362e+03    1.95939e+04    1.31324e+04    1.15523e+03   -3.00101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85218e+03    9.30028e+04    3.96901e+05   -2.34005e+04   -2.97074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65069e+04   -2.44390e+06    4.78177e+05   -1.96573e+06    2.25051e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10010e+02   -2.07540e+02   -1.09463e+02    5.28890e-06


DD  step 213284999  vol min/aver 0.725  load imb.: force  4.0%  pme mesh/force 0.661
           Step           Time
      213285000   426570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96386e+03    1.95123e+04    1.31593e+04    1.13800e+03   -3.07186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74324e+03    9.31397e+04    4.00020e+05   -2.33828e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64569e+04   -2.44602e+06    4.81266e+05   -1.96476e+06    2.25056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12013e+02   -2.07226e+02    1.30442e+01    5.18870e-06


DD  step 213289999  vol min/aver 0.719  load imb.: force  5.1%  pme mesh/force 0.645
           Step           Time
      213290000   426580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91187e+03    1.92339e+04    1.30983e+04    1.13036e+03   -3.10170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79236e+03    9.38257e+04    4.03158e+05   -2.33577e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65524e+04   -2.44584e+06    4.81032e+05   -1.96481e+06    2.25062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11862e+02   -2.06782e+02    7.89440e+01    5.49861e-06


DD  step 213294999  vol min/aver 0.686  load imb.: force  4.9%  pme mesh/force 0.639
           Step           Time
      213295000   426590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09938e+03    2.01146e+04    1.30622e+04    1.12493e+03   -3.14027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84907e+03    9.32944e+04    4.01641e+05   -2.33956e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64977e+04   -2.44666e+06    4.80084e+05   -1.96657e+06    2.25068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11247e+02   -2.07453e+02    5.47585e+01    5.28302e-06


DD  step 213299999  vol min/aver 0.706  load imb.: force  4.1%  pme mesh/force 0.652
           Step           Time
      213300000   426600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04276e+03    1.92633e+04    1.29885e+04    1.18376e+03   -3.00957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88327e+03    9.32801e+04    4.01629e+05   -2.33729e+04   -2.98057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65927e+04   -2.44909e+06    4.80798e+05   -1.96829e+06    2.25074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.07051e+02    1.62166e+01    5.26489e-06


DD  step 213304999  vol min/aver 0.713  load imb.: force  4.8%  pme mesh/force 0.663
           Step           Time
      213305000   426610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91257e+03    1.97173e+04    1.29169e+04    1.15326e+03   -2.89015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92512e+03    9.34078e+04    3.98220e+05   -2.33600e+04   -2.97417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66739e+04   -2.44549e+06    4.80778e+05   -1.96471e+06    2.25080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11697e+02   -2.06823e+02   -2.97047e+01    5.16428e-06


DD  step 213309999  vol min/aver 0.722  load imb.: force  4.2%  pme mesh/force 0.646
           Step           Time
      213310000   426620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89246e+03    1.94590e+04    1.29828e+04    1.19043e+03   -2.98751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93593e+03    9.35684e+04    4.04574e+05   -2.33913e+04   -2.98365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65120e+04   -2.44892e+06    4.80886e+05   -1.96803e+06    2.25085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.07376e+02    9.00979e+01    5.25695e-06


DD  step 213314999  vol min/aver 0.714  load imb.: force  4.1%  pme mesh/force 0.663
           Step           Time
      213315000   426630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97895e+03    1.97204e+04    1.29132e+04    1.19802e+03   -3.12185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93844e+03    9.31547e+04    3.99188e+05   -2.33839e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65614e+04   -2.44691e+06    4.81502e+05   -1.96541e+06    2.25091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12166e+02   -2.07246e+02   -2.19344e+01    5.29180e-06


DD  step 213319999  vol min/aver 0.746  load imb.: force  4.6%  pme mesh/force 0.653
           Step           Time
      213320000   426640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10451e+03    1.92446e+04    1.29822e+04    1.13646e+03   -3.13404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73769e+03    9.32305e+04    3.99739e+05   -2.33589e+04   -2.97504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64977e+04   -2.44586e+06    4.79495e+05   -1.96636e+06    2.25097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.06803e+02   -5.13922e+01    5.37076e-06


DD  step 213324999  vol min/aver 0.718  load imb.: force  4.1%  pme mesh/force 0.656
           Step           Time
      213325000   426650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17218e+03    1.95682e+04    1.30509e+04    1.18616e+03   -3.01674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75863e+03    9.30718e+04    4.03085e+05   -2.34603e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63753e+04   -2.44707e+06    4.78859e+05   -1.96821e+06    2.25103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10453e+02   -2.08600e+02    1.29126e+02    5.30006e-06


DD  step 213329999  vol min/aver 0.742  load imb.: force  3.9%  pme mesh/force 0.650
           Step           Time
      213330000   426660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13332e+03    1.94283e+04    1.29945e+04    1.15368e+03   -2.89605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87700e+03    9.32961e+04    3.97503e+05   -2.33841e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65410e+04   -2.44930e+06    4.80668e+05   -1.96863e+06    2.25109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11625e+02   -2.07249e+02   -9.11753e+01    5.34987e-06


DD  step 213334999  vol min/aver 0.729  load imb.: force  5.3%  pme mesh/force 0.655
           Step           Time
      213335000   426670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83636e+03    1.90306e+04    1.29964e+04    1.09593e+03   -3.02021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74930e+03    9.35243e+04    3.98072e+05   -2.33672e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64088e+04   -2.44937e+06    4.77760e+05   -1.97161e+06    2.25114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09741e+02   -2.06951e+02   -1.22988e+02    5.34765e-06


DD  step 213339999  vol min/aver 0.714  load imb.: force  4.9%  pme mesh/force 0.652
           Step           Time
      213340000   426680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76009e+03    1.97678e+04    1.29913e+04    1.17592e+03   -3.00620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85088e+03    9.30796e+04    4.00548e+05   -2.34208e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63752e+04   -2.45059e+06    4.79704e+05   -1.97088e+06    2.25120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11001e+02   -2.07901e+02   -1.69051e+01    5.20152e-06


DD  step 213344999  vol min/aver 0.728  load imb.: force  4.8%  pme mesh/force 0.656
           Step           Time
      213345000   426690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04631e+03    1.92888e+04    1.31555e+04    1.17469e+03   -3.09455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86377e+03    9.34728e+04    4.01773e+05   -2.34007e+04   -2.98258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65487e+04   -2.45075e+06    4.77976e+05   -1.97277e+06    2.25126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09880e+02   -2.07543e+02   -1.99355e+01    5.22796e-06


DD  step 213349999  vol min/aver 0.756  load imb.: force  5.3%  pme mesh/force 0.669
           Step           Time
      213350000   426700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19816e+03    1.96492e+04    1.32277e+04    1.18251e+03   -3.04444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87974e+03    9.36370e+04    3.96225e+05   -2.33604e+04   -2.96823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66598e+04   -2.44097e+06    4.80813e+05   -1.96016e+06    2.25132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11720e+02   -2.06831e+02   -8.72897e+01    5.22088e-06


DD  step 213354999  vol min/aver 0.760  load imb.: force  5.2%  pme mesh/force 0.651
           Step           Time
      213355000   426710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80438e+03    1.93185e+04    1.30065e+04    1.16281e+03   -3.08978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90282e+03    9.32220e+04    3.98765e+05   -2.33853e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64600e+04   -2.44650e+06    4.80928e+05   -1.96557e+06    2.25137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11794e+02   -2.07270e+02   -3.39697e+01    5.27673e-06


DD  step 213359999  vol min/aver 0.713  load imb.: force  7.4%  pme mesh/force 0.663
           Step           Time
      213360000   426720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92768e+03    1.94419e+04    1.29965e+04    1.12009e+03   -3.00405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88745e+03    9.32653e+04    3.97487e+05   -2.33572e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63204e+04   -2.44789e+06    4.81688e+05   -1.96620e+06    2.25143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12287e+02   -2.06774e+02   -9.48953e+01    5.19549e-06


DD  step 213364999  vol min/aver 0.738  load imb.: force  6.0%  pme mesh/force 0.652
           Step           Time
      213365000   426730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02113e+03    1.93214e+04    1.30177e+04    1.23268e+03   -2.99379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85635e+03    9.32835e+04    4.00482e+05   -2.33982e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65598e+04   -2.44697e+06    4.78631e+05   -1.96834e+06    2.25149e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10305e+02   -2.07498e+02   -5.23300e+00    5.38698e-06


DD  step 213369999  vol min/aver 0.726  load imb.: force  4.9%  pme mesh/force 0.661
           Step           Time
      213370000   426740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01502e+03    1.95644e+04    1.31386e+04    1.25228e+03   -3.23049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93658e+03    9.31312e+04    4.01280e+05   -2.33839e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65505e+04   -2.44614e+06    4.80159e+05   -1.96598e+06    2.25154e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.07246e+02    3.22415e+01    5.37926e-06


DD  step 213374999  vol min/aver 0.728  load imb.: force  4.7%  pme mesh/force 0.648
           Step           Time
      213375000   426750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79543e+03    1.93016e+04    1.30935e+04    1.07139e+03   -3.09056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82704e+03    9.31081e+04    4.02588e+05   -2.33982e+04   -2.98105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64018e+04   -2.44936e+06    4.78521e+05   -1.97083e+06    2.25160e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.07499e+02    5.94811e+01    5.34357e-06


DD  step 213379999  vol min/aver 0.729  load imb.: force  3.7%  pme mesh/force 0.655
           Step           Time
      213380000   426760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80517e+03    1.94243e+04    1.30923e+04    1.25648e+03   -3.09066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83123e+03    9.33559e+04    4.02060e+05   -2.33720e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66777e+04   -2.44598e+06    4.80084e+05   -1.96590e+06    2.25166e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11247e+02   -2.07036e+02    6.04904e+01    5.26745e-06


DD  step 213384999  vol min/aver 0.724  load imb.: force  4.8%  pme mesh/force 0.649
           Step           Time
      213385000   426770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96325e+03    1.96611e+04    1.32028e+04    1.22476e+03   -3.07147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92937e+03    9.30817e+04    4.01253e+05   -2.33748e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64976e+04   -2.44599e+06    4.79493e+05   -1.96650e+06    2.25172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.07084e+02    2.13764e+01    5.33893e-06


DD  step 213389999  vol min/aver 0.755  load imb.: force  4.4%  pme mesh/force 0.656
           Step           Time
      213390000   426780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87895e+03    1.93015e+04    1.31200e+04    1.16651e+03   -2.95395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88422e+03    9.29014e+04    3.99003e+05   -2.33316e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66505e+04   -2.44624e+06    4.80575e+05   -1.96567e+06    2.25177e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11565e+02   -2.06321e+02   -3.26071e+01    5.65170e-06


DD  step 213394999  vol min/aver 0.756  load imb.: force  4.3%  pme mesh/force 0.664
           Step           Time
      213395000   426790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21718e+03    1.96545e+04    1.31511e+04    1.19804e+03   -3.18545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78347e+03    9.32726e+04    3.97527e+05   -2.33811e+04   -2.97330e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64007e+04   -2.44567e+06    4.81409e+05   -1.96426e+06    2.25183e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12106e+02   -2.07197e+02   -8.27120e+01    5.38915e-06


DD  step 213399999  vol min/aver 0.698  load imb.: force  4.7%  pme mesh/force 0.658
           Step           Time
      213400000   426800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75239e+03    1.93040e+04    1.29694e+04    1.17109e+03   -2.96520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80111e+03    9.25341e+04    3.97023e+05   -2.33859e+04   -2.97164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64748e+04   -2.44596e+06    4.76888e+05   -1.96907e+06    2.25189e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09175e+02   -2.07281e+02   -7.27554e+01    5.33507e-06


DD  step 213404999  vol min/aver 0.746  load imb.: force  4.6%  pme mesh/force 0.643
           Step           Time
      213405000   426810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03372e+03    1.92153e+04    1.28304e+04    1.20813e+03   -2.93799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62445e+03    9.30403e+04    4.04186e+05   -2.34025e+04   -2.98527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64068e+04   -2.45206e+06    4.80079e+05   -1.97198e+06    2.25195e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11244e+02   -2.07575e+02    3.78815e+01    5.30720e-06


DD  step 213409999  vol min/aver 0.713  load imb.: force  4.4%  pme mesh/force 0.658
           Step           Time
      213410000   426820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04543e+03    1.88955e+04    1.30726e+04    1.14285e+03   -3.14670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92047e+03    9.37155e+04    3.96732e+05   -2.33423e+04   -2.97465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63156e+04   -2.44830e+06    4.78938e+05   -1.96936e+06    2.25200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10504e+02   -2.06509e+02   -1.62638e+02    5.26321e-06


DD  step 213414999  vol min/aver 0.718  load imb.: force  4.3%  pme mesh/force 0.640
           Step           Time
      213415000   426830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01766e+03    1.92546e+04    1.30261e+04    1.20225e+03   -3.02686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96588e+03    9.35418e+04    3.98419e+05   -2.33751e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65677e+04   -2.44559e+06    4.80597e+05   -1.96499e+06    2.25206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.07091e+02   -2.42131e+01    5.38600e-06


DD  step 213419999  vol min/aver 0.744  load imb.: force  4.7%  pme mesh/force 0.664
           Step           Time
      213420000   426840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10868e+03    1.93444e+04    1.30316e+04    1.17210e+03   -3.09638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86948e+03    9.33308e+04    4.01630e+05   -2.33760e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65465e+04   -2.44737e+06    4.78817e+05   -1.96856e+06    2.25213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.07106e+02    3.30206e+00    5.31718e-06


DD  step 213424999  vol min/aver 0.749  load imb.: force  4.5%  pme mesh/force 0.671
           Step           Time
      213425000   426850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94386e+03    1.93707e+04    1.30544e+04    1.20579e+03   -3.08252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73563e+03    9.34175e+04    4.00819e+05   -2.33612e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65307e+04   -2.44759e+06    4.78387e+05   -1.96920e+06    2.25218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10147e+02   -2.06844e+02    6.53896e+00    5.15255e-06


DD  step 213429999  vol min/aver 0.702  load imb.: force  6.4%  pme mesh/force 0.650
           Step           Time
      213430000   426860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02440e+03    1.91731e+04    1.28749e+04    1.16335e+03   -3.05456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78060e+03    9.31353e+04    4.02761e+05   -2.33778e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65004e+04   -2.44613e+06    4.78684e+05   -1.96744e+06    2.25224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10339e+02   -2.07138e+02    6.24273e+01    5.44866e-06


DD  step 213434999  vol min/aver 0.735  load imb.: force  5.9%  pme mesh/force 0.666
           Step           Time
      213435000   426870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95521e+03    1.93577e+04    1.29057e+04    1.15874e+03   -3.12766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85405e+03    9.28200e+04    3.98174e+05   -2.33693e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66463e+04   -2.44753e+06    4.77832e+05   -1.96969e+06    2.25229e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09787e+02   -2.06988e+02   -1.13033e+02    5.19343e-06


DD  step 213439999  vol min/aver 0.733  load imb.: force  5.6%  pme mesh/force 0.653
           Step           Time
      213440000   426880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74268e+03    1.91661e+04    1.31028e+04    1.12141e+03   -3.12069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89847e+03    9.30007e+04    4.00871e+05   -2.33797e+04   -2.97964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64042e+04   -2.44984e+06    4.78608e+05   -1.97123e+06    2.25235e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10290e+02   -2.07171e+02    2.77710e+00    5.40380e-06


DD  step 213444999  vol min/aver 0.696  load imb.: force  4.6%  pme mesh/force 0.665
           Step           Time
      213445000   426890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87277e+03    1.93571e+04    1.30823e+04    1.19800e+03   -3.16419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92954e+03    9.28381e+04    3.99924e+05   -2.33336e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66380e+04   -2.44643e+06    4.78785e+05   -1.96764e+06    2.25241e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10405e+02   -2.06357e+02    7.45532e+00    5.32804e-06


DD  step 213449999  vol min/aver 0.722  load imb.: force  4.4%  pme mesh/force 0.639
           Step           Time
      213450000   426900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10122e+03    1.94991e+04    1.29632e+04    1.21025e+03   -2.94351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87779e+03    9.27746e+04    4.00855e+05   -2.34104e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62816e+04   -2.44507e+06    4.79125e+05   -1.96594e+06    2.25247e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10626e+02   -2.07716e+02    3.77591e+01    5.30887e-06


DD  step 213454999  vol min/aver 0.760  load imb.: force  4.3%  pme mesh/force 0.657
           Step           Time
      213455000   426910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89088e+03    1.93137e+04    1.29466e+04    1.15636e+03   -3.03534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89551e+03    9.32431e+04    4.01457e+05   -2.34013e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65106e+04   -2.44822e+06    4.79825e+05   -1.96839e+06    2.25252e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11079e+02   -2.07553e+02   -1.17944e+00    5.40044e-06


DD  step 213459999  vol min/aver 0.761  load imb.: force  4.3%  pme mesh/force 0.661
           Step           Time
      213460000   426920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04810e+03    1.92709e+04    1.30909e+04    1.23989e+03   -3.06144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85847e+03    9.30455e+04    3.97872e+05   -2.33332e+04   -2.97406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66154e+04   -2.44642e+06    4.80088e+05   -1.96633e+06    2.25258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.06350e+02   -8.90249e+01    5.33936e-06


DD  step 213464999  vol min/aver 0.744  load imb.: force  6.8%  pme mesh/force 0.669
           Step           Time
      213465000   426930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08374e+03    1.94956e+04    1.29478e+04    1.11842e+03   -3.02998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86302e+03    9.29431e+04    3.99883e+05   -2.33535e+04   -2.97503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66136e+04   -2.44546e+06    4.78074e+05   -1.96739e+06    2.25264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09944e+02   -2.06708e+02   -1.64034e+01    5.25918e-06


DD  step 213469999  vol min/aver 0.739  load imb.: force  5.3%  pme mesh/force 0.651
           Step           Time
      213470000   426940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28250e+03    1.88443e+04    1.28314e+04    1.19623e+03   -2.94335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83924e+03    9.30297e+04    3.98791e+05   -2.33999e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66083e+04   -2.44671e+06    4.82052e+05   -1.96466e+06    2.25270e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12523e+02   -2.07530e+02   -5.13552e+01    5.31070e-06


DD  step 213474999  vol min/aver 0.747  load imb.: force  4.8%  pme mesh/force 0.644
           Step           Time
      213475000   426950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99864e+03    1.93444e+04    1.30743e+04    1.20918e+03   -3.04862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81699e+03    9.27267e+04    3.98997e+05   -2.34083e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65420e+04   -2.44932e+06    4.80140e+05   -1.96918e+06    2.25275e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.07679e+02   -7.62565e+01    5.29207e-06


DD  step 213479999  vol min/aver 0.718  load imb.: force  5.3%  pme mesh/force 0.660
           Step           Time
      213480000   426960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16567e+03    1.88333e+04    1.29740e+04    1.15750e+03   -3.08384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84558e+03    9.28736e+04    4.00569e+05   -2.34378e+04   -2.98156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62374e+04   -2.45242e+06    4.77436e+05   -1.97499e+06    2.25282e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09530e+02   -2.08201e+02   -8.59292e+01    5.24648e-06


DD  step 213484999  vol min/aver 0.735  load imb.: force  4.4%  pme mesh/force 0.662
           Step           Time
      213485000   426970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73481e+03    1.94584e+04    1.29981e+04    1.14166e+03   -3.07717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84839e+03    9.34983e+04    4.00378e+05   -2.33427e+04   -2.97845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66563e+04   -2.44815e+06    4.77787e+05   -1.97037e+06    2.25287e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09758e+02   -2.06518e+02   -6.45575e+01    5.23282e-06


DD  step 213489999  vol min/aver 0.726  load imb.: force  4.7%  pme mesh/force 0.665
           Step           Time
      213490000   426980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88573e+03    1.97057e+04    1.30735e+04    1.15195e+03   -3.05369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82254e+03    9.39271e+04    3.98786e+05   -2.33159e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64499e+04   -2.44728e+06    4.80910e+05   -1.96637e+06    2.25293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11783e+02   -2.06044e+02   -6.50384e+01    5.23686e-06


DD  step 213494999  vol min/aver 0.746  load imb.: force  4.4%  pme mesh/force 0.651
           Step           Time
      213495000   426990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07974e+03    1.93799e+04    1.30403e+04    1.20738e+03   -3.02022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87051e+03    9.31210e+04    4.00366e+05   -2.32950e+04   -2.97603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64469e+04   -2.44583e+06    4.81085e+05   -1.96475e+06    2.25299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11896e+02   -2.05675e+02   -5.85333e+01    5.49608e-06


DD  step 213499999  vol min/aver 0.758  load imb.: force  4.7%  pme mesh/force 0.653
           Step           Time
      213500000   427000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11274e+03    1.96350e+04    1.30769e+04    1.11111e+03   -3.01396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80817e+03    9.36504e+04    4.00563e+05   -2.33619e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63241e+04   -2.44598e+06    4.78189e+05   -1.96779e+06    2.25305e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10019e+02   -2.06856e+02   -2.70664e+01    5.32961e-06


DD  step 213504999  vol min/aver 0.741  load imb.: force  5.0%  pme mesh/force 0.669
           Step           Time
      213505000   427010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98462e+03    1.92610e+04    1.29931e+04    1.21975e+03   -3.16911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92091e+03    9.33664e+04    4.00443e+05   -2.33091e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67327e+04   -2.44434e+06    4.79075e+05   -1.96526e+06    2.25310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10593e+02   -2.05924e+02   -7.94543e+01    5.36256e-06


DD  step 213509999  vol min/aver 0.741  load imb.: force  5.1%  pme mesh/force 0.646
           Step           Time
      213510000   427020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87671e+03    1.95366e+04    1.29580e+04    1.19142e+03   -2.97190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96782e+03    9.36118e+04    4.05635e+05   -2.34739e+04   -2.98422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66239e+04   -2.44826e+06    4.77482e+05   -1.97078e+06    2.25317e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09560e+02   -2.08843e+02    1.92592e+02    5.23522e-06


DD  step 213514999  vol min/aver 0.744  load imb.: force  4.3%  pme mesh/force 0.650
           Step           Time
      213515000   427030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94905e+03    1.91989e+04    1.31312e+04    1.10881e+03   -3.09467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90975e+03    9.32999e+04    4.00722e+05   -2.33972e+04   -2.98025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63562e+04   -2.45006e+06    4.78664e+05   -1.97140e+06    2.25322e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10326e+02   -2.07481e+02   -5.85468e+00    5.31992e-06


DD  step 213519999  vol min/aver 0.711  load imb.: force  4.5%  pme mesh/force 0.643
           Step           Time
      213520000   427040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94388e+03    1.96730e+04    1.31712e+04    1.11204e+03   -3.14470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80476e+03    9.30166e+04    4.03221e+05   -2.33903e+04   -2.97997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65382e+04   -2.44702e+06    4.80194e+05   -1.96683e+06    2.25328e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11318e+02   -2.07360e+02    8.97614e+01    5.10742e-06


DD  step 213524999  vol min/aver 0.748  load imb.: force  5.2%  pme mesh/force 0.650
           Step           Time
      213525000   427050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98041e+03    1.92496e+04    1.29403e+04    1.15094e+03   -3.17385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93339e+03    9.35922e+04    4.03675e+05   -2.34036e+04   -2.98144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65488e+04   -2.44795e+06    4.78853e+05   -1.96909e+06    2.25334e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.07595e+02    1.15643e+02    5.46883e-06


DD  step 213529999  vol min/aver 0.714  load imb.: force  4.4%  pme mesh/force 0.637
           Step           Time
      213530000   427060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87673e+03    1.98368e+04    1.31240e+04    1.15015e+03   -3.02356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95814e+03    9.38854e+04    3.99709e+05   -2.34006e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63123e+04   -2.44423e+06    4.80772e+05   -1.96346e+06    2.25340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11693e+02   -2.07542e+02    2.44147e+00    5.27319e-06


DD  step 213534999  vol min/aver 0.734  load imb.: force  4.5%  pme mesh/force 0.668
           Step           Time
      213535000   427070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06548e+03    1.92496e+04    1.30413e+04    1.16592e+03   -3.00828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87194e+03    9.27373e+04    4.00740e+05   -2.33724e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64106e+04   -2.44894e+06    4.78430e+05   -1.97051e+06    2.25345e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10175e+02   -2.07043e+02    2.37912e+00    5.36011e-06


DD  step 213539999  vol min/aver 0.735  load imb.: force  4.1%  pme mesh/force 0.629
           Step           Time
      213540000   427080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37924e+03    1.94158e+04    1.31013e+04    1.18884e+03   -3.10628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78098e+03    9.31223e+04    3.99832e+05   -2.34056e+04   -2.97338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64632e+04   -2.44361e+06    4.80540e+05   -1.96307e+06    2.25351e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.07631e+02   -4.59824e+00    5.32715e-06


DD  step 213544999  vol min/aver 0.721  load imb.: force  3.0%  pme mesh/force 0.650
           Step           Time
      213545000   427090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96392e+03    1.94928e+04    1.29683e+04    1.17283e+03   -3.15678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80749e+03    9.35440e+04    4.02345e+05   -2.33163e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65778e+04   -2.44574e+06    4.78756e+05   -1.96698e+06    2.25357e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.06050e+02    3.02127e+01    5.33579e-06


DD  step 213549999  vol min/aver 0.743  load imb.: force  4.6%  pme mesh/force 0.640
           Step           Time
      213550000   427100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12522e+03    1.96961e+04    1.30744e+04    1.21778e+03   -3.00492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83167e+03    9.31045e+04    4.03438e+05   -2.34021e+04   -2.97791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65186e+04   -2.44431e+06    4.78305e+05   -1.96600e+06    2.25363e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10094e+02   -2.07569e+02    1.27709e+02    5.36517e-06


DD  step 213554999  vol min/aver 0.736  load imb.: force  4.8%  pme mesh/force 0.651
           Step           Time
      213555000   427110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15716e+03    1.95093e+04    1.29998e+04    1.00392e+03   -3.12152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76993e+03    9.29443e+04    4.02286e+05   -2.33947e+04   -2.98170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65341e+04   -2.45001e+06    4.79204e+05   -1.97080e+06    2.25368e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10677e+02   -2.07437e+02    2.67061e+01    5.30112e-06


DD  step 213559999  vol min/aver 0.742  load imb.: force  4.1%  pme mesh/force 0.653
           Step           Time
      213560000   427120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96578e+03    1.94179e+04    1.30736e+04    1.25307e+03   -3.11819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92827e+03    9.33202e+04    4.02327e+05   -2.33769e+04   -2.97916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65578e+04   -2.44681e+06    4.80617e+05   -1.96619e+06    2.25374e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11592e+02   -2.07123e+02    5.56305e+01    5.26813e-06


DD  step 213564999  vol min/aver 0.703  load imb.: force  4.8%  pme mesh/force 0.671
           Step           Time
      213565000   427130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20735e+03    1.95424e+04    1.30276e+04    1.24711e+03   -3.02275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84280e+03    9.27189e+04    4.01789e+05   -2.33934e+04   -2.97797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62867e+04   -2.44673e+06    4.82083e+05   -1.96464e+06    2.25380e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12543e+02   -2.07414e+02    4.95266e+01    5.29901e-06


DD  step 213569999  vol min/aver 0.736  load imb.: force  4.8%  pme mesh/force 0.654
           Step           Time
      213570000   427140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09175e+03    1.94438e+04    1.29657e+04    1.15147e+03   -3.17258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82320e+03    9.32693e+04    4.00969e+05   -2.33765e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63747e+04   -2.44641e+06    4.80955e+05   -1.96546e+06    2.25386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11812e+02   -2.07114e+02    4.32578e+01    5.35113e-06


DD  step 213574999  vol min/aver 0.780  load imb.: force  4.4%  pme mesh/force 0.652
           Step           Time
      213575000   427150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83991e+03    1.93955e+04    1.28648e+04    1.13786e+03   -3.03470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89162e+03    9.30205e+04    4.02258e+05   -2.33710e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66868e+04   -2.44827e+06    4.80635e+05   -1.96763e+06    2.25392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11604e+02   -2.07017e+02    8.33556e+01    5.33295e-06


DD  step 213579999  vol min/aver 0.737  load imb.: force  4.9%  pme mesh/force 0.660
           Step           Time
      213580000   427160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83810e+03    1.95484e+04    1.30458e+04    1.22445e+03   -3.08381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88911e+03    9.28652e+04    3.96894e+05   -2.33253e+04   -2.97135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64920e+04   -2.44496e+06    4.80589e+05   -1.96437e+06    2.25397e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11575e+02   -2.06209e+02   -9.75584e+01    5.40496e-06


DD  step 213584999  vol min/aver 0.773  load imb.: force  4.9%  pme mesh/force 0.658
           Step           Time
      213585000   427170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07770e+03    1.96530e+04    1.29402e+04    1.15710e+03   -3.09200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86048e+03    9.28113e+04    3.99277e+05   -2.33865e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64000e+04   -2.44667e+06    4.79698e+05   -1.96697e+06    2.25404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10997e+02   -2.07291e+02   -2.03494e+01    5.33974e-06

Writing checkpoint, step 213587300 at Tue Nov  7 14:46:28 2023



DD  step 213589999  vol min/aver 0.747  load imb.: force  4.5%  pme mesh/force 0.640
           Step           Time
      213590000   427180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10249e+03    1.95677e+04    1.31593e+04    1.20920e+03   -3.13258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77441e+03    9.27588e+04    4.00377e+05   -2.34142e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66256e+04   -2.44813e+06    4.79620e+05   -1.96851e+06    2.25409e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.07782e+02   -1.52220e+00    5.49570e-06


DD  step 213594999  vol min/aver 0.719  load imb.: force  4.1%  pme mesh/force 0.649
           Step           Time
      213595000   427190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10787e+03    1.92350e+04    1.30944e+04    1.21645e+03   -3.09910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82218e+03    9.33303e+04    3.99278e+05   -2.33612e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65082e+04   -2.44802e+06    4.81245e+05   -1.96678e+06    2.25415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12000e+02   -2.06844e+02   -3.99928e+01    5.29318e-06


DD  step 213599999  vol min/aver 0.761  load imb.: force  4.5%  pme mesh/force 0.653
           Step           Time
      213600000   427200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17184e+03    1.93179e+04    1.30297e+04    1.20241e+03   -3.11206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78402e+03    9.31252e+04    3.98623e+05   -2.34061e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65198e+04   -2.44553e+06    4.78698e+05   -1.96683e+06    2.25421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10349e+02   -2.07639e+02   -6.80880e+01    5.46792e-06


DD  step 213604999  vol min/aver 0.775  load imb.: force  3.5%  pme mesh/force 0.645
           Step           Time
      213605000   427210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02399e+03    1.91645e+04    1.32164e+04    1.21021e+03   -2.91754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94306e+03    9.30241e+04    4.03540e+05   -2.33886e+04   -2.98185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65605e+04   -2.44847e+06    4.81292e+05   -1.96718e+06    2.25427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12030e+02   -2.07329e+02    6.69750e+01    5.47688e-06


DD  step 213609999  vol min/aver 0.773  load imb.: force  4.1%  pme mesh/force 0.652
           Step           Time
      213610000   427220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03158e+03    1.93833e+04    1.30082e+04    1.24021e+03   -2.92994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83376e+03    9.25976e+04    3.99296e+05   -2.33949e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64373e+04   -2.44955e+06    4.79329e+05   -1.97022e+06    2.25432e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.07440e+02   -6.23607e+01    5.31973e-06


DD  step 213614999  vol min/aver 0.739  load imb.: force  4.3%  pme mesh/force 0.667
           Step           Time
      213615000   427230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81172e+03    1.93674e+04    1.30263e+04    1.22907e+03   -3.00745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77237e+03    9.29660e+04    4.00170e+05   -2.33469e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64378e+04   -2.44726e+06    4.80154e+05   -1.96711e+06    2.25438e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11292e+02   -2.06591e+02   -4.30317e+01    5.40034e-06


DD  step 213619999  vol min/aver 0.721  load imb.: force  6.0%  pme mesh/force 0.673
           Step           Time
      213620000   427240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85543e+03    1.93106e+04    1.30878e+04    1.19982e+03   -3.13712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87958e+03    9.25305e+04    4.00492e+05   -2.33558e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61621e+04   -2.44864e+06    4.78775e+05   -1.96987e+06    2.25444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10398e+02   -2.06748e+02   -2.36622e+01    5.58526e-06


DD  step 213624999  vol min/aver 0.742  load imb.: force  4.7%  pme mesh/force 0.648
           Step           Time
      213625000   427250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90435e+03    1.94932e+04    1.30175e+04    1.14088e+03   -3.01097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79405e+03    9.23373e+04    4.00443e+05   -2.33478e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64648e+04   -2.44709e+06    4.78731e+05   -1.96836e+06    2.25450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10370e+02   -2.06607e+02   -3.85067e+01    5.44270e-06


DD  step 213629999  vol min/aver 0.737  load imb.: force  3.9%  pme mesh/force 0.652
           Step           Time
      213630000   427260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22628e+03    1.95538e+04    1.30956e+04    1.17319e+03   -3.11560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84079e+03    9.24843e+04    4.00654e+05   -2.33979e+04   -2.97706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66615e+04   -2.44688e+06    4.79995e+05   -1.96689e+06    2.25456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.07493e+02   -4.63525e+01    5.50124e-06


DD  step 213634999  vol min/aver 0.730  load imb.: force  5.0%  pme mesh/force 0.650
           Step           Time
      213635000   427270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94191e+03    1.88998e+04    1.30961e+04    1.15585e+03   -3.00149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95378e+03    9.30263e+04    3.98653e+05   -2.33656e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65420e+04   -2.44710e+06    4.78758e+05   -1.96834e+06    2.25461e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10387e+02   -2.06921e+02   -1.97737e+01    5.55838e-06


DD  step 213639999  vol min/aver 0.719  load imb.: force  6.2%  pme mesh/force 0.659
           Step           Time
      213640000   427280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94676e+03    1.94724e+04    1.29670e+04    1.11850e+03   -3.08640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91200e+03    9.26731e+04    4.00064e+05   -2.33567e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63337e+04   -2.44799e+06    4.79433e+05   -1.96855e+06    2.25468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10825e+02   -2.06764e+02   -3.82818e+01    5.41489e-06


DD  step 213644999  vol min/aver 0.731  load imb.: force  5.0%  pme mesh/force 0.661
           Step           Time
      213645000   427290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80938e+03    1.94062e+04    1.32729e+04    1.19112e+03   -3.08787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96413e+03    9.29709e+04    4.02488e+05   -2.34547e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63456e+04   -2.44751e+06    4.81595e+05   -1.96592e+06    2.25473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12227e+02   -2.08502e+02    1.20636e+02    5.29072e-06


DD  step 213649999  vol min/aver 0.719  load imb.: force  4.5%  pme mesh/force 0.645
           Step           Time
      213650000   427300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07305e+03    1.91792e+04    1.31153e+04    1.22046e+03   -2.91682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82772e+03    9.26655e+04    4.02501e+05   -2.33887e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63873e+04   -2.44719e+06    4.79038e+05   -1.96816e+06    2.25479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10569e+02   -2.07331e+02    3.38042e+01    5.34868e-06


DD  step 213654999  vol min/aver 0.758  load imb.: force  4.5%  pme mesh/force 0.649
           Step           Time
      213655000   427310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05830e+03    1.93766e+04    1.31763e+04    1.10242e+03   -3.15151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82135e+03    9.29251e+04    4.02316e+05   -2.34209e+04   -2.97988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65460e+04   -2.44813e+06    4.80296e+05   -1.96783e+06    2.25485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11384e+02   -2.07901e+02   -1.10671e+01    5.40470e-06


DD  step 213659999  vol min/aver 0.688  load imb.: force  7.7%  pme mesh/force 0.676
           Step           Time
      213660000   427320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98415e+03    1.94095e+04    1.31208e+04    1.19727e+03   -3.03151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90385e+03    9.26439e+04    4.01028e+05   -2.34129e+04   -2.97954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63682e+04   -2.44933e+06    4.79233e+05   -1.97010e+06    2.25491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10695e+02   -2.07759e+02    2.24986e+01    5.44281e-06


DD  step 213664999  vol min/aver 0.731  load imb.: force  5.3%  pme mesh/force 0.648
           Step           Time
      213665000   427330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11932e+03    1.94820e+04    1.31126e+04    1.15657e+03   -3.01136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85940e+03    9.26044e+04    3.99846e+05   -2.33988e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44729e+06    4.81186e+05   -1.96610e+06    2.25497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.07510e+02   -2.27531e+01    5.45463e-06


DD  step 213669999  vol min/aver 0.718  load imb.: force  4.7%  pme mesh/force 0.668
           Step           Time
      213670000   427340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83079e+03    1.94734e+04    1.30221e+04    1.14957e+03   -3.08045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94763e+03    9.24773e+04    3.99430e+05   -2.33124e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65651e+04   -2.44788e+06    4.81332e+05   -1.96655e+06    2.25502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12056e+02   -2.05982e+02   -4.97605e+01    5.35866e-06


DD  step 213674999  vol min/aver 0.722  load imb.: force  4.1%  pme mesh/force 0.651
           Step           Time
      213675000   427350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13433e+03    1.92936e+04    1.28912e+04    1.11350e+03   -2.96756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93597e+03    9.23680e+04    4.01449e+05   -2.34072e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64747e+04   -2.44692e+06    4.77852e+05   -1.96907e+06    2.25509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09800e+02   -2.07659e+02    2.33585e+01    5.53261e-06


DD  step 213679999  vol min/aver 0.693  load imb.: force  4.3%  pme mesh/force 0.649
           Step           Time
      213680000   427360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96570e+03    1.94289e+04    1.32510e+04    1.18542e+03   -3.19372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90620e+03    9.27335e+04    4.06272e+05   -2.33894e+04   -2.98348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65145e+04   -2.44780e+06    4.80967e+05   -1.96683e+06    2.25515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11820e+02   -2.07344e+02    1.61484e+02    5.50907e-06


DD  step 213684999  vol min/aver 0.718  load imb.: force  4.1%  pme mesh/force 0.657
           Step           Time
      213685000   427370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95134e+03    1.95776e+04    1.29142e+04    1.15419e+03   -3.06745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90493e+03    9.22754e+04    4.00355e+05   -2.33121e+04   -2.97323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65581e+04   -2.44392e+06    4.78205e+05   -1.96571e+06    2.25521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10029e+02   -2.05977e+02   -2.60310e+01    5.46241e-06


DD  step 213689999  vol min/aver 0.690  load imb.: force  4.5%  pme mesh/force 0.653
           Step           Time
      213690000   427380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86879e+03    1.94830e+04    1.29985e+04    1.20746e+03   -3.00425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94747e+03    9.27835e+04    4.01645e+05   -2.33800e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65947e+04   -2.44610e+06    4.80544e+05   -1.96555e+06    2.25527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.07176e+02    6.16648e+01    5.50037e-06


DD  step 213694999  vol min/aver 0.676  load imb.: force  5.8%  pme mesh/force 0.644
           Step           Time
      213695000   427390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71696e+03    1.98458e+04    1.30658e+04    1.18157e+03   -3.21799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87352e+03    9.22945e+04    3.99801e+05   -2.33525e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65520e+04   -2.44578e+06    4.80105e+05   -1.96568e+06    2.25532e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11260e+02   -2.06691e+02   -3.28501e+01    5.37344e-06


DD  step 213699999  vol min/aver 0.706  load imb.: force  4.6%  pme mesh/force 0.645
           Step           Time
      213700000   427400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12976e+03    1.92715e+04    1.29999e+04    1.14920e+03   -2.99612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70064e+03    9.23667e+04    4.03608e+05   -2.34283e+04   -2.98253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64775e+04   -2.45025e+06    4.78953e+05   -1.97130e+06    2.25538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10514e+02   -2.08033e+02    2.32197e+01    5.31660e-06


DD  step 213704999  vol min/aver 0.679  load imb.: force  4.7%  pme mesh/force 0.678
           Step           Time
      213705000   427410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00346e+03    1.96769e+04    1.30719e+04    1.12604e+03   -2.94551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94737e+03    9.23715e+04    3.99032e+05   -2.33688e+04   -2.97452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69507e+04   -2.44566e+06    4.80365e+05   -1.96529e+06    2.25544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11429e+02   -2.06979e+02   -5.81788e+01    5.27721e-06


DD  step 213709999  vol min/aver 0.702  load imb.: force  5.7%  pme mesh/force 0.650
           Step           Time
      213710000   427420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93072e+03    1.94967e+04    1.30677e+04    1.22122e+03   -3.08488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82103e+03    9.24113e+04    3.99782e+05   -2.33783e+04   -2.97667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63520e+04   -2.44805e+06    4.79656e+05   -1.96839e+06    2.25550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10969e+02   -2.07147e+02   -3.28486e+01    5.47802e-06


DD  step 213714999  vol min/aver 0.668  load imb.: force  3.8%  pme mesh/force 0.651
           Step           Time
      213715000   427430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89797e+03    1.91583e+04    1.31871e+04    1.19383e+03   -3.12336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84614e+03    9.24301e+04    3.99165e+05   -2.33975e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62690e+04   -2.44907e+06    4.78091e+05   -1.97098e+06    2.25555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09955e+02   -2.07487e+02   -3.93036e+01    5.52898e-06


DD  step 213719999  vol min/aver 0.686  load imb.: force  4.9%  pme mesh/force 0.652
           Step           Time
      213720000   427440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85705e+03    1.87777e+04    1.31512e+04    1.19610e+03   -2.93861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.04566e+03    9.31016e+04    4.02178e+05   -2.33843e+04   -2.97954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61865e+04   -2.44837e+06    4.78337e+05   -1.97003e+06    2.25561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10115e+02   -2.07253e+02    8.24851e+01    5.39109e-06


DD  step 213724999  vol min/aver 0.670  load imb.: force  4.7%  pme mesh/force 0.665
           Step           Time
      213725000   427450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85982e+03    1.94872e+04    1.32045e+04    1.15544e+03   -3.13736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88745e+03    9.29747e+04    4.00378e+05   -2.33773e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66758e+04   -2.44683e+06    4.80810e+05   -1.96602e+06    2.25567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11718e+02   -2.07130e+02    1.17473e+01    5.31400e-06


DD  step 213729999  vol min/aver 0.657  load imb.: force  5.4%  pme mesh/force 0.656
           Step           Time
      213730000   427460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98141e+03    1.97547e+04    1.30533e+04    1.18865e+03   -3.09020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87721e+03    9.25948e+04    4.03307e+05   -2.33601e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64172e+04   -2.44652e+06    4.81712e+05   -1.96481e+06    2.25572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12302e+02   -2.06825e+02    8.98078e+01    5.36424e-06


DD  step 213734999  vol min/aver 0.672  load imb.: force  5.1%  pme mesh/force 0.658
           Step           Time
      213735000   427470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77911e+03    1.92020e+04    1.32056e+04    1.22966e+03   -3.05101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98089e+03    9.30422e+04    4.02162e+05   -2.33848e+04   -2.98107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65340e+04   -2.44937e+06    4.79087e+05   -1.97028e+06    2.25579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10601e+02   -2.07262e+02    7.19201e+01    5.41714e-06


DD  step 213739999  vol min/aver 0.679  load imb.: force  4.3%  pme mesh/force 0.649
           Step           Time
      213740000   427480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11952e+03    2.01385e+04    1.30528e+04    1.17223e+03   -3.07587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83235e+03    9.18918e+04    3.99502e+05   -2.33828e+04   -2.97180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64516e+04   -2.44310e+06    4.80497e+05   -1.96260e+06    2.25584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11515e+02   -2.07227e+02    3.28136e+01    5.57994e-06


DD  step 213744999  vol min/aver 0.701  load imb.: force  4.5%  pme mesh/force 0.652
           Step           Time
      213745000   427490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99528e+03    1.95173e+04    1.28126e+04    1.16007e+03   -3.05581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02200e+03    9.21810e+04    3.98175e+05   -2.33478e+04   -2.97223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66696e+04   -2.44510e+06    4.78972e+05   -1.96613e+06    2.25590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10526e+02   -2.06607e+02   -5.38039e+01    5.35626e-06


DD  step 213749999  vol min/aver 0.719  load imb.: force  4.5%  pme mesh/force 0.651
           Step           Time
      213750000   427500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06877e+03    1.94695e+04    1.31788e+04    1.17394e+03   -3.14979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93333e+03    9.21744e+04    3.99824e+05   -2.33828e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65547e+04   -2.44960e+06    4.80631e+05   -1.96897e+06    2.25596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11602e+02   -2.07227e+02   -4.20559e+01    5.45717e-06


DD  step 213754999  vol min/aver 0.720  load imb.: force  4.8%  pme mesh/force 0.653
           Step           Time
      213755000   427510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02074e+03    1.94154e+04    1.28615e+04    1.16366e+03   -3.21719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86882e+03    9.28079e+04    4.01016e+05   -2.33596e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65556e+04   -2.44507e+06    4.81972e+05   -1.96310e+06    2.25601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12471e+02   -2.06816e+02    1.80477e+01    5.49413e-06


DD  step 213759999  vol min/aver 0.677  load imb.: force  7.0%  pme mesh/force 0.665
           Step           Time
      213760000   427520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99388e+03    1.90393e+04    1.31089e+04    1.15697e+03   -3.06915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79733e+03    9.22436e+04    4.01982e+05   -2.33999e+04   -2.98037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64892e+04   -2.45002e+06    4.79516e+05   -1.97051e+06    2.25607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.07530e+02   -3.06957e+01    5.42582e-06


DD  step 213764999  vol min/aver 0.692  load imb.: force  5.8%  pme mesh/force 0.669
           Step           Time
      213765000   427530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95759e+03    1.98928e+04    1.30079e+04    1.18596e+03   -3.07899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78146e+03    9.26018e+04    4.00310e+05   -2.33824e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65540e+04   -2.44612e+06    4.77516e+05   -1.96860e+06    2.25614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09582e+02   -2.07219e+02    2.65419e+01    5.45777e-06


DD  step 213769999  vol min/aver 0.700  load imb.: force  3.9%  pme mesh/force 0.647
           Step           Time
      213770000   427540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90454e+03    1.95523e+04    1.30945e+04    1.23046e+03   -3.03248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98653e+03    9.28445e+04    4.00841e+05   -2.33672e+04   -2.97180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65726e+04   -2.44117e+06    4.77317e+05   -1.96386e+06    2.25619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09453e+02   -2.06950e+02    1.11938e+02    5.46422e-06


DD  step 213774999  vol min/aver 0.707  load imb.: force  4.4%  pme mesh/force 0.651
           Step           Time
      213775000   427550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20642e+03    1.91435e+04    1.31989e+04    1.13538e+03   -3.11028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93243e+03    9.29924e+04    4.01750e+05   -2.33964e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64478e+04   -2.44822e+06    4.81074e+05   -1.96714e+06    2.25624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11889e+02   -2.07468e+02    4.89021e+01    5.49486e-06


DD  step 213779999  vol min/aver 0.696  load imb.: force  5.2%  pme mesh/force 0.651
           Step           Time
      213780000   427560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08214e+03    1.90160e+04    1.31675e+04    1.30976e+03   -3.19318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96951e+03    9.28780e+04    4.00542e+05   -2.33537e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64845e+04   -2.44787e+06    4.79642e+05   -1.96823e+06    2.25630e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.06711e+02   -3.47277e+01    5.38901e-06


DD  step 213784999  vol min/aver 0.703  load imb.: force  4.1%  pme mesh/force 0.646
           Step           Time
      213785000   427570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89795e+03    1.95013e+04    1.30025e+04    1.18512e+03   -3.06545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84602e+03    9.31340e+04    4.01029e+05   -2.33619e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66778e+04   -2.44829e+06    4.80430e+05   -1.96786e+06    2.25636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11472e+02   -2.06857e+02   -2.21331e+01    5.59061e-06


DD  step 213789999  vol min/aver 0.691  load imb.: force  4.3%  pme mesh/force 0.655
           Step           Time
      213790000   427580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04124e+03    1.97464e+04    1.32651e+04    1.14381e+03   -3.16479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83717e+03    9.29488e+04    4.02804e+05   -2.33594e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63632e+04   -2.44621e+06    4.81019e+05   -1.96519e+06    2.25642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.06812e+02    3.12583e+01    5.45561e-06


DD  step 213794999  vol min/aver 0.666  load imb.: force  4.0%  pme mesh/force 0.663
           Step           Time
      213795000   427590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02818e+03    1.95650e+04    1.31765e+04    1.19480e+03   -3.04359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87976e+03    9.32419e+04    4.00919e+05   -2.34129e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64320e+04   -2.44788e+06    4.79913e+05   -1.96796e+06    2.25648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11136e+02   -2.07760e+02    4.29948e+01    5.30515e-06


DD  step 213799999  vol min/aver 0.692  load imb.: force  4.2%  pme mesh/force 0.666
           Step           Time
      213800000   427600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04379e+03    1.94883e+04    1.30319e+04    1.28134e+03   -3.04080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83019e+03    9.31867e+04    4.01510e+05   -2.33436e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66206e+04   -2.44378e+06    4.81086e+05   -1.96269e+06    2.25654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11897e+02   -2.06532e+02   -2.86304e+00    5.45661e-06


DD  step 213804999  vol min/aver 0.703  load imb.: force  3.8%  pme mesh/force 0.657
           Step           Time
      213805000   427610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09045e+03    1.92570e+04    1.31328e+04    1.15762e+03   -3.12234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67909e+03    9.28032e+04    3.98580e+05   -2.34104e+04   -2.97342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65098e+04   -2.44574e+06    4.78508e+05   -1.96724e+06    2.25659e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10225e+02   -2.07715e+02   -3.39876e+01    5.44070e-06


DD  step 213809999  vol min/aver 0.711  load imb.: force  6.3%  pme mesh/force 0.680
           Step           Time
      213810000   427620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22442e+03    1.97031e+04    1.31496e+04    1.18567e+03   -3.11980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96140e+03    9.23839e+04    4.02256e+05   -2.33887e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65204e+04   -2.44650e+06    4.79548e+05   -1.96695e+06    2.25665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10900e+02   -2.07331e+02    7.63531e+01    5.31751e-06


DD  step 213814999  vol min/aver 0.681  load imb.: force  4.4%  pme mesh/force 0.663
           Step           Time
      213815000   427630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02694e+03    1.95047e+04    1.30178e+04    1.14579e+03   -3.22734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78803e+03    9.26000e+04    4.00864e+05   -2.33930e+04   -2.97794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62898e+04   -2.44832e+06    4.79311e+05   -1.96901e+06    2.25671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10746e+02   -2.07408e+02   -5.81725e+00    5.49848e-06


DD  step 213819999  vol min/aver 0.698  load imb.: force  5.1%  pme mesh/force 0.663
           Step           Time
      213820000   427640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90134e+03    1.91418e+04    1.31648e+04    1.21578e+03   -3.13095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89022e+03    9.34004e+04    3.99496e+05   -2.33607e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67189e+04   -2.44674e+06    4.79600e+05   -1.96714e+06    2.25676e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.06836e+02   -1.48324e+01    5.44133e-06


DD  step 213824999  vol min/aver 0.704  load imb.: force  4.2%  pme mesh/force 0.658
           Step           Time
      213825000   427650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14704e+03    1.94291e+04    1.28638e+04    1.11938e+03   -3.17266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82527e+03    9.27017e+04    4.02874e+05   -2.34234e+04   -2.98225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65696e+04   -2.45032e+06    4.77566e+05   -1.97275e+06    2.25682e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09615e+02   -2.07947e+02    4.41937e+01    5.36507e-06


DD  step 213829999  vol min/aver 0.692  load imb.: force  4.5%  pme mesh/force 0.658
           Step           Time
      213830000   427660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88229e+03    1.95049e+04    1.30054e+04    1.07588e+03   -3.16041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86315e+03    9.33736e+04    3.99884e+05   -2.33887e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64486e+04   -2.44790e+06    4.78626e+05   -1.96927e+06    2.25688e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10302e+02   -2.07332e+02   -8.87415e+00    5.47853e-06


DD  step 213834999  vol min/aver 0.703  load imb.: force  4.6%  pme mesh/force 0.658
           Step           Time
      213835000   427670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00000e+03    1.92454e+04    1.30467e+04    1.22872e+03   -3.02740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96208e+03    9.24096e+04    4.00792e+05   -2.33742e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65374e+04   -2.44773e+06    4.77567e+05   -1.97016e+06    2.25694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09615e+02   -2.07074e+02   -8.37524e-01    5.28622e-06


DD  step 213839999  vol min/aver 0.677  load imb.: force  4.1%  pme mesh/force 0.644
           Step           Time
      213840000   427680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99355e+03    1.90655e+04    1.30263e+04    1.19144e+03   -3.07256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89589e+03    9.28024e+04    4.01729e+05   -2.33703e+04   -2.98099e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65882e+04   -2.45014e+06    4.77389e+05   -1.97276e+06    2.25700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09500e+02   -2.07005e+02   -2.55707e+01    5.39164e-06


DD  step 213844999  vol min/aver 0.689  load imb.: force  4.8%  pme mesh/force 0.655
           Step           Time
      213845000   427690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93317e+03    1.97020e+04    1.28928e+04    1.11800e+03   -3.01693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84444e+03    9.21835e+04    3.99635e+05   -2.34509e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64119e+04   -2.45019e+06    4.79108e+05   -1.97108e+06    2.25705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.08434e+02   -2.63503e+00    5.41923e-06


DD  step 213849999  vol min/aver 0.694  load imb.: force  4.9%  pme mesh/force 0.652
           Step           Time
      213850000   427700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22233e+03    1.92430e+04    1.31649e+04    1.14868e+03   -3.03875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93931e+03    9.29122e+04    4.00209e+05   -2.33520e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65303e+04   -2.44499e+06    4.79602e+05   -1.96539e+06    2.25711e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.06681e+02    3.27201e+01    5.30665e-06


DD  step 213854999  vol min/aver 0.697  load imb.: force  4.3%  pme mesh/force 0.651
           Step           Time
      213855000   427710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10282e+03    1.92105e+04    1.29424e+04    1.26940e+03   -3.14281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80271e+03    9.29932e+04    4.01833e+05   -2.33515e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66435e+04   -2.44624e+06    4.80356e+05   -1.96589e+06    2.25718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11423e+02   -2.06673e+02    3.34424e+01    5.33102e-06


DD  step 213859999  vol min/aver 0.696  load imb.: force  5.8%  pme mesh/force 0.664
           Step           Time
      213860000   427720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98442e+03    1.94910e+04    1.30296e+04    1.16393e+03   -3.01006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01523e+03    9.28330e+04    4.00964e+05   -2.33538e+04   -2.97964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65230e+04   -2.44900e+06    4.79898e+05   -1.96910e+06    2.25723e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11127e+02   -2.06713e+02   -4.09029e+01    5.25820e-06


DD  step 213864999  vol min/aver 0.698  load imb.: force  7.7%  pme mesh/force 0.685
           Step           Time
      213865000   427730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84615e+03    1.94420e+04    1.30649e+04    1.08923e+03   -3.03274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95106e+03    9.27663e+04    4.00927e+05   -2.33553e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63188e+04   -2.44859e+06    4.80357e+05   -1.96824e+06    2.25729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11424e+02   -2.06739e+02   -2.97937e+01    5.43338e-06


DD  step 213869999  vol min/aver 0.696  load imb.: force  3.8%  pme mesh/force 0.665
           Step           Time
      213870000   427740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78155e+03    1.95792e+04    1.29273e+04    1.18720e+03   -3.07804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88251e+03    9.35923e+04    3.98403e+05   -2.33314e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65527e+04   -2.44522e+06    4.79021e+05   -1.96620e+06    2.25735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.06317e+02   -7.03108e+01    5.39221e-06


DD  step 213874999  vol min/aver 0.690  load imb.: force  3.8%  pme mesh/force 0.653
           Step           Time
      213875000   427750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13094e+03    1.97462e+04    1.31423e+04    1.10532e+03   -3.07809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01633e+03    9.25551e+04    3.96263e+05   -2.33741e+04   -2.96934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64752e+04   -2.44336e+06    4.80358e+05   -1.96300e+06    2.25741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11425e+02   -2.07072e+02   -5.94527e+01    5.37825e-06


DD  step 213879999  vol min/aver 0.714  load imb.: force  4.6%  pme mesh/force 0.657
           Step           Time
      213880000   427760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95392e+03    1.93979e+04    1.29355e+04    1.20299e+03   -3.06475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96967e+03    9.31364e+04    3.99537e+05   -2.33943e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64749e+04   -2.44850e+06    4.79633e+05   -1.96887e+06    2.25747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10955e+02   -2.07430e+02   -6.55496e+01    5.50179e-06


DD  step 213884999  vol min/aver 0.708  load imb.: force  3.8%  pme mesh/force 0.649
           Step           Time
      213885000   427770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04907e+03    1.94090e+04    1.30268e+04    1.20146e+03   -3.09039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90271e+03    9.29957e+04    3.99120e+05   -2.33172e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64659e+04   -2.44701e+06    4.79016e+05   -1.96800e+06    2.25753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10554e+02   -2.06067e+02   -1.05060e+02    5.49052e-06


DD  step 213889999  vol min/aver 0.692  load imb.: force  4.8%  pme mesh/force 0.665
           Step           Time
      213890000   427780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15434e+03    1.91980e+04    1.29285e+04    1.08084e+03   -3.09328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95562e+03    9.31328e+04    3.99543e+05   -2.33809e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67158e+04   -2.44709e+06    4.80576e+05   -1.96651e+06    2.25758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11566e+02   -2.07193e+02   -2.29993e+01    5.20753e-06


DD  step 213894999  vol min/aver 0.665  load imb.: force  4.1%  pme mesh/force 0.645
           Step           Time
      213895000   427790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99261e+03    1.94175e+04    1.32141e+04    1.25858e+03   -2.97021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77989e+03    9.29200e+04    3.99922e+05   -2.33826e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65016e+04   -2.44642e+06    4.78279e+05   -1.96814e+06    2.25764e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10077e+02   -2.07223e+02   -3.40372e+00    5.36658e-06


DD  step 213899999  vol min/aver 0.724  load imb.: force  5.0%  pme mesh/force 0.641
           Step           Time
      213900000   427800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98201e+03    1.93388e+04    1.31120e+04    1.14105e+03   -3.04187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96222e+03    9.31482e+04    4.01033e+05   -2.33789e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65868e+04   -2.44737e+06    4.78972e+05   -1.96840e+06    2.25770e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10526e+02   -2.07158e+02    7.13072e+00    5.59557e-06


DD  step 213904999  vol min/aver 0.674  load imb.: force  5.0%  pme mesh/force 0.649
           Step           Time
      213905000   427810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76765e+03    1.95125e+04    1.28669e+04    1.19344e+03   -3.00715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95865e+03    9.27667e+04    4.02407e+05   -2.34154e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65571e+04   -2.44753e+06    4.79302e+05   -1.96823e+06    2.25775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10740e+02   -2.07804e+02    6.81892e+01    5.43023e-06


DD  step 213909999  vol min/aver 0.677  load imb.: force  5.1%  pme mesh/force 0.658
           Step           Time
      213910000   427820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08191e+03    1.95332e+04    1.31434e+04    1.14445e+03   -3.07030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88218e+03    9.24580e+04    3.99918e+05   -2.33650e+04   -2.97563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63875e+04   -2.44651e+06    4.78018e+05   -1.96850e+06    2.25782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09907e+02   -2.06911e+02   -1.66623e+01    5.33681e-06


DD  step 213914999  vol min/aver 0.693  load imb.: force  3.5%  pme mesh/force 0.650
           Step           Time
      213915000   427830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79580e+03    1.92534e+04    1.29768e+04    1.27467e+03   -3.10560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81373e+03    9.26816e+04    4.00748e+05   -2.34020e+04   -2.97894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64899e+04   -2.44941e+06    4.78882e+05   -1.97053e+06    2.25787e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.07566e+02   -3.57044e+01    5.41135e-06


DD  step 213919999  vol min/aver 0.740  load imb.: force  4.6%  pme mesh/force 0.653
           Step           Time
      213920000   427840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79084e+03    1.94676e+04    1.31045e+04    1.18719e+03   -3.02012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87651e+03    9.31364e+04    3.99103e+05   -2.33648e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66197e+04   -2.44737e+06    4.80238e+05   -1.96713e+06    2.25793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11347e+02   -2.06909e+02   -8.29772e+01    5.22920e-06


DD  step 213924999  vol min/aver 0.726  load imb.: force  4.2%  pme mesh/force 0.657
           Step           Time
      213925000   427850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03054e+03    1.97902e+04    1.32690e+04    1.16447e+03   -3.09909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85864e+03    9.25319e+04    3.98409e+05   -2.33775e+04   -2.97346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65160e+04   -2.44537e+06    4.80043e+05   -1.96533e+06    2.25799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.07132e+02   -7.17297e+01    5.36374e-06


DD  step 213929999  vol min/aver 0.711  load imb.: force  3.9%  pme mesh/force 0.659
           Step           Time
      213930000   427860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90592e+03    1.94337e+04    1.30402e+04    1.24865e+03   -3.06304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69764e+03    9.26994e+04    3.99658e+05   -2.33931e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62750e+04   -2.44940e+06    4.79710e+05   -1.96969e+06    2.25804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11004e+02   -2.07409e+02   -5.90495e+01    5.42456e-06


DD  step 213934999  vol min/aver 0.715  load imb.: force  6.9%  pme mesh/force 0.680
           Step           Time
      213935000   427870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92426e+03    1.93298e+04    1.31688e+04    1.17258e+03   -3.09503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81873e+03    9.30662e+04    4.01348e+05   -2.33547e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65664e+04   -2.44808e+06    4.82928e+05   -1.96515e+06    2.25810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13091e+02   -2.06729e+02   -1.89975e+01    5.46065e-06


DD  step 213939999  vol min/aver 0.690  load imb.: force  5.5%  pme mesh/force 0.642
           Step           Time
      213940000   427880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93544e+03    1.94530e+04    1.31301e+04    1.16925e+03   -3.08313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81720e+03    9.25182e+04    4.01280e+05   -2.33880e+04   -2.97881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65584e+04   -2.44842e+06    4.80273e+05   -1.96815e+06    2.25816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11370e+02   -2.07319e+02    1.49251e+01    5.42247e-06


DD  step 213944999  vol min/aver 0.690  load imb.: force  4.3%  pme mesh/force 0.644
           Step           Time
      213945000   427890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11756e+03    1.98442e+04    1.30900e+04    1.03810e+03   -3.10577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76603e+03    9.27001e+04    3.99900e+05   -2.33680e+04   -2.97386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64934e+04   -2.44438e+06    4.80336e+05   -1.96405e+06    2.25822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.06964e+02   -1.19955e+01    5.38345e-06


DD  step 213949999  vol min/aver 0.696  load imb.: force  4.3%  pme mesh/force 0.647
           Step           Time
      213950000   427900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96850e+03    1.95746e+04    1.31414e+04    1.22812e+03   -3.06898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77505e+03    9.29197e+04    3.99993e+05   -2.33850e+04   -2.97559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65509e+04   -2.44589e+06    4.76594e+05   -1.96930e+06    2.25828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08984e+02   -2.07266e+02   -4.57938e+01    5.39478e-06


DD  step 213954999  vol min/aver 0.708  load imb.: force  4.1%  pme mesh/force 0.660
           Step           Time
      213955000   427910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72751e+03    1.89245e+04    1.30499e+04    1.18170e+03   -3.10607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90899e+03    9.29188e+04    4.00835e+05   -2.34243e+04   -2.98285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64617e+04   -2.45338e+06    4.78711e+05   -1.97467e+06    2.25833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10357e+02   -2.07961e+02   -1.79128e+01    5.56543e-06


DD  step 213959999  vol min/aver 0.711  load imb.: force  5.5%  pme mesh/force 0.660
           Step           Time
      213960000   427920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00475e+03    1.92862e+04    1.31380e+04    1.18964e+03   -3.06077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90252e+03    9.20847e+04    4.01444e+05   -2.34050e+04   -2.97840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65158e+04   -2.44830e+06    4.79076e+05   -1.96923e+06    2.25840e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.07619e+02    4.74578e+01    5.44718e-06


DD  step 213964999  vol min/aver 0.705  load imb.: force  4.4%  pme mesh/force 0.650
           Step           Time
      213965000   427930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84326e+03    1.95632e+04    1.32640e+04    1.14210e+03   -3.15036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.05214e+03    9.26451e+04    3.99814e+05   -2.33664e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64061e+04   -2.44806e+06    4.79317e+05   -1.96874e+06    2.25846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.06937e+02    1.90968e+01    5.39020e-06


DD  step 213969999  vol min/aver 0.700  load imb.: force  4.7%  pme mesh/force 0.650
           Step           Time
      213970000   427940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17773e+03    1.91815e+04    1.32240e+04    1.29516e+03   -3.12563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94156e+03    9.28425e+04    3.99251e+05   -2.33556e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65560e+04   -2.44743e+06    4.80496e+05   -1.96693e+06    2.25851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11514e+02   -2.06745e+02   -7.42113e+01    5.34437e-06

Writing checkpoint, step 213970850 at Tue Nov  7 15:01:28 2023



DD  step 213974999  vol min/aver 0.705  load imb.: force  5.5%  pme mesh/force 0.650
           Step           Time
      213975000   427950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91148e+03    1.95123e+04    1.30321e+04    1.18256e+03   -3.06998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92376e+03    9.26250e+04    4.00409e+05   -2.33578e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65183e+04   -2.44980e+06    4.78745e+05   -1.97106e+06    2.25857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10379e+02   -2.06785e+02   -4.20796e+00    5.44210e-06


DD  step 213979999  vol min/aver 0.681  load imb.: force  6.1%  pme mesh/force 0.659
           Step           Time
      213980000   427960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15679e+03    1.92597e+04    1.31135e+04    1.23721e+03   -3.07216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86860e+03    9.30896e+04    3.99321e+05   -2.33566e+04   -2.97376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66512e+04   -2.44449e+06    4.80167e+05   -1.96432e+06    2.25863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.06762e+02   -4.13636e+01    5.45750e-06


DD  step 213984999  vol min/aver 0.709  load imb.: force  7.3%  pme mesh/force 0.738
           Step           Time
      213985000   427970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00810e+03    1.93410e+04    1.30364e+04    1.16428e+03   -2.95190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88820e+03    9.28154e+04    3.99204e+05   -2.33679e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64685e+04   -2.44674e+06    4.81372e+05   -1.96537e+06    2.25869e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12082e+02   -2.06963e+02   -4.22607e+01    5.53613e-06


DD  step 213989999  vol min/aver 0.722  load imb.: force  4.4%  pme mesh/force 0.659
           Step           Time
      213990000   427980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05379e+03    1.95128e+04    1.30758e+04    1.20546e+03   -3.03505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97665e+03    9.32471e+04    4.01846e+05   -2.33890e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65014e+04   -2.44786e+06    4.79961e+05   -1.96790e+06    2.25875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11167e+02   -2.07336e+02    2.28025e+01    5.50256e-06


DD  step 213994999  vol min/aver 0.703  load imb.: force  4.7%  pme mesh/force 0.655
           Step           Time
      213995000   427990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05120e+03    1.99066e+04    1.29261e+04    1.28164e+03   -3.10828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90502e+03    9.27564e+04    3.98670e+05   -2.33170e+04   -2.97236e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65930e+04   -2.44370e+06    4.81917e+05   -1.96178e+06    2.25880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12435e+02   -2.06063e+02   -2.61125e+00    5.43882e-06


DD  step 213999999  vol min/aver 0.713  load imb.: force  5.2%  pme mesh/force 0.662
           Step           Time
      214000000   428000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91514e+03    1.93931e+04    1.31431e+04    1.17794e+03   -3.18051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83080e+03    9.30309e+04    4.02446e+05   -2.33812e+04   -2.98177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64859e+04   -2.44991e+06    4.78701e+05   -1.97121e+06    2.25886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10350e+02   -2.07198e+02    2.05640e+01    5.61107e-06


DD  step 214004999  vol min/aver 0.695  load imb.: force  4.6%  pme mesh/force 0.655
           Step           Time
      214005000   428010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81461e+03    1.91690e+04    1.28624e+04    1.11471e+03   -3.05583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89651e+03    9.26902e+04    3.99918e+05   -2.33813e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66060e+04   -2.44912e+06    4.81929e+05   -1.96720e+06    2.25892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12443e+02   -2.07199e+02    1.64350e+01    5.41498e-06


DD  step 214009999  vol min/aver 0.721  load imb.: force  4.9%  pme mesh/force 0.676
           Step           Time
      214010000   428020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92809e+03    1.96429e+04    1.30430e+04    1.17289e+03   -2.96596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82185e+03    9.26426e+04    4.00177e+05   -2.33594e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66760e+04   -2.44571e+06    4.81850e+05   -1.96386e+06    2.25897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12392e+02   -2.06813e+02    2.82720e+01    5.37281e-06


DD  step 214014999  vol min/aver 0.681  load imb.: force  3.8%  pme mesh/force 0.658
           Step           Time
      214015000   428030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14255e+03    1.95215e+04    1.31611e+04    1.22705e+03   -3.05386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77484e+03    9.27546e+04    4.01823e+05   -2.33662e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64732e+04   -2.44583e+06    4.80145e+05   -1.96568e+06    2.25904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11286e+02   -2.06933e+02    2.31672e+01    5.41370e-06


DD  step 214019999  vol min/aver 0.714  load imb.: force  4.5%  pme mesh/force 0.660
           Step           Time
      214020000   428040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05068e+03    1.95102e+04    1.30512e+04    1.16566e+03   -3.03758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93221e+03    9.26087e+04    3.98010e+05   -2.33716e+04   -2.97307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64844e+04   -2.44566e+06    4.76658e+05   -1.96900e+06    2.25909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09026e+02   -2.07028e+02   -9.07991e+01    5.19066e-06


DD  step 214024999  vol min/aver 0.689  load imb.: force  4.7%  pme mesh/force 0.667
           Step           Time
      214025000   428050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27899e+03    1.94025e+04    1.29693e+04    1.21041e+03   -3.20839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82869e+03    9.26608e+04    4.00260e+05   -2.33523e+04   -2.97343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66791e+04   -2.44370e+06    4.80281e+05   -1.96342e+06    2.25915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.06687e+02   -3.01908e+01    5.74704e-06


DD  step 214029999  vol min/aver 0.697  load imb.: force  4.9%  pme mesh/force 0.658
           Step           Time
      214030000   428060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12995e+03    1.97008e+04    1.30336e+04    1.16694e+03   -3.04382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87017e+03    9.28526e+04    3.98208e+05   -2.33842e+04   -2.97130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66144e+04   -2.44316e+06    4.81139e+05   -1.96202e+06    2.25921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11931e+02   -2.07250e+02   -1.88601e+01    5.58281e-06


DD  step 214034999  vol min/aver 0.715  load imb.: force  4.6%  pme mesh/force 0.661
           Step           Time
      214035000   428070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10417e+03    1.97307e+04    1.31311e+04    1.18290e+03   -3.13726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92649e+03    9.29833e+04    4.00767e+05   -2.33605e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64505e+04   -2.44544e+06    4.78048e+05   -1.96739e+06    2.25926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09927e+02   -2.06832e+02   -4.59468e+01    5.55387e-06


DD  step 214039999  vol min/aver 0.721  load imb.: force  4.5%  pme mesh/force 0.655
           Step           Time
      214040000   428080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15758e+03    1.91792e+04    1.29188e+04    1.13968e+03   -3.07806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96609e+03    9.30043e+04    4.00780e+05   -2.33430e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65561e+04   -2.44620e+06    4.80211e+05   -1.96599e+06    2.25932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11329e+02   -2.06522e+02   -1.42905e+01    5.60153e-06


DD  step 214044999  vol min/aver 0.686  load imb.: force  4.9%  pme mesh/force 0.644
           Step           Time
      214045000   428090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91378e+03    1.96714e+04    1.28848e+04    1.15202e+03   -3.08689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78686e+03    9.27630e+04    4.01249e+05   -2.33741e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66343e+04   -2.44690e+06    4.77171e+05   -1.96973e+06    2.25938e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09358e+02   -2.07073e+02    2.21204e+01    5.44118e-06


DD  step 214049999  vol min/aver 0.724  load imb.: force  4.1%  pme mesh/force 0.642
           Step           Time
      214050000   428100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08616e+03    1.94361e+04    1.29855e+04    1.18730e+03   -3.10791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82822e+03    9.33982e+04    3.99503e+05   -2.33037e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65825e+04   -2.44538e+06    4.78622e+05   -1.96676e+06    2.25944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10299e+02   -2.05829e+02   -7.65305e+01    5.55276e-06


DD  step 214054999  vol min/aver 0.737  load imb.: force  6.4%  pme mesh/force 0.675
           Step           Time
      214055000   428110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10147e+03    1.94346e+04    1.29765e+04    1.21289e+03   -3.05503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84990e+03    9.31319e+04    4.02470e+05   -2.34123e+04   -2.97971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63199e+04   -2.44768e+06    4.80304e+05   -1.96737e+06    2.25950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11390e+02   -2.07749e+02    8.10611e+01    5.44415e-06


DD  step 214059999  vol min/aver 0.741  load imb.: force  4.5%  pme mesh/force 0.647
           Step           Time
      214060000   428120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80966e+03    1.96240e+04    1.28507e+04    1.15391e+03   -3.02660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79685e+03    9.32466e+04    4.00104e+05   -2.33517e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63229e+04   -2.44679e+06    4.79172e+05   -1.96761e+06    2.25955e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10656e+02   -2.06676e+02   -1.54190e+01    5.68343e-06


DD  step 214064999  vol min/aver 0.723  load imb.: force  5.0%  pme mesh/force 0.665
           Step           Time
      214065000   428130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02834e+03    1.94428e+04    1.30914e+04    1.14505e+03   -3.09751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83893e+03    9.32461e+04    3.97909e+05   -2.33353e+04   -2.97256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64131e+04   -2.44487e+06    4.80521e+05   -1.96435e+06    2.25961e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.06387e+02   -1.01958e+02    5.64280e-06


DD  step 214069999  vol min/aver 0.725  load imb.: force  4.3%  pme mesh/force 0.661
           Step           Time
      214070000   428140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04045e+03    1.91383e+04    1.30425e+04    1.21791e+03   -3.09685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81533e+03    9.32838e+04    4.01636e+05   -2.33902e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64181e+04   -2.44591e+06    4.79465e+05   -1.96645e+06    2.25966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10846e+02   -2.07357e+02    5.56411e+01    5.53858e-06


DD  step 214074999  vol min/aver 0.748  load imb.: force  4.4%  pme mesh/force 0.652
           Step           Time
      214075000   428150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87758e+03    1.93412e+04    1.29796e+04    1.21509e+03   -3.03159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94168e+03    9.30366e+04    4.01046e+05   -2.33932e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62941e+04   -2.44675e+06    4.80807e+05   -1.96594e+06    2.25972e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11716e+02   -2.07411e+02    4.70096e+01    5.59647e-06


DD  step 214079999  vol min/aver 0.726  load imb.: force  8.0%  pme mesh/force 0.695
           Step           Time
      214080000   428160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09203e+03    1.93727e+04    1.30574e+04    1.16051e+03   -3.02147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80525e+03    9.31123e+04    4.01198e+05   -2.33920e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66302e+04   -2.44511e+06    4.77959e+05   -1.96715e+06    2.25978e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09869e+02   -2.07389e+02    6.94396e+01    5.39968e-06


DD  step 214084999  vol min/aver 0.789  load imb.: force  4.8%  pme mesh/force 0.657
           Step           Time
      214085000   428170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00374e+03    1.97884e+04    1.30034e+04    1.15306e+03   -3.02209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74986e+03    9.30952e+04    3.99493e+05   -2.33887e+04   -2.98013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64376e+04   -2.45081e+06    4.79884e+05   -1.97093e+06    2.25984e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.07331e+02   -1.03285e+02    5.37339e-06


DD  step 214089999  vol min/aver 0.755  load imb.: force  5.4%  pme mesh/force 0.661
           Step           Time
      214090000   428180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26686e+03    1.94683e+04    1.28901e+04    1.18145e+03   -2.99493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67590e+03    9.35699e+04    4.01587e+05   -2.33889e+04   -2.97842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65410e+04   -2.44662e+06    4.80975e+05   -1.96565e+06    2.25990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11824e+02   -2.07335e+02   -3.02598e+01    5.54165e-06


step 214091200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 27 min 900 max 1052

DD  step 214094999 load imb.: force 13.3%  pme mesh/force 0.724
           Step           Time
      214095000   428190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83761e+03    1.95740e+04    1.30156e+04    1.19454e+03   -3.11241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98350e+03    9.29746e+04    3.98282e+05   -2.33827e+04   -2.97334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64371e+04   -2.44554e+06    4.79687e+05   -1.96585e+06    2.25995e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.07225e+02   -2.60310e+01    5.53747e-06


DD  step 214099999 load imb.: force 12.6%  pme mesh/force 0.707
           Step           Time
      214100000   428200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25434e+03    1.95515e+04    1.30201e+04    1.20968e+03   -3.01123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69885e+03    9.29469e+04    4.01860e+05   -2.34104e+04   -2.98070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63553e+04   -2.44923e+06    4.80905e+05   -1.96832e+06    2.26001e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11779e+02   -2.07715e+02   -2.06761e+01    5.60076e-06


step 214100200 Turning on dynamic load balancing, because the performance loss due to load imbalance is 4.2 %.

DD  step 214104999  vol min/aver 0.760  load imb.: force  5.1%  pme mesh/force 0.660
           Step           Time
      214105000   428210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86144e+03    1.96610e+04    1.27975e+04    1.15898e+03   -3.04106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86771e+03    9.29143e+04    3.98614e+05   -2.33671e+04   -2.97532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64273e+04   -2.44743e+06    4.79384e+05   -1.96804e+06    2.26007e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10793e+02   -2.06949e+02   -5.42125e+01    5.56473e-06


step 214108200 Turning off dynamic load balancing, because it is degrading performance.
Atom distribution over 192 domains: av 955 stddev 26 min 879 max 1030

DD  step 214109999 load imb.: force 12.8%  pme mesh/force 0.701
           Step           Time
      214110000   428220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14387e+03    1.92334e+04    1.28960e+04    1.21474e+03   -3.01473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80824e+03    9.38360e+04    4.01305e+05   -2.34315e+04   -2.98151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64738e+04   -2.45004e+06    4.79963e+05   -1.97008e+06    2.26013e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.08090e+02    2.46890e+01    5.50462e-06


step 214110200 Will no longer try dynamic load balancing, as it degraded performance.

DD  step 214114999 load imb.: force 12.8%  pme mesh/force 0.721
           Step           Time
      214115000   428230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03540e+03    1.92874e+04    1.30541e+04    1.13856e+03   -3.13977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94986e+03    9.34730e+04    4.01274e+05   -2.33895e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65327e+04   -2.44715e+06    4.76102e+05   -1.97104e+06    2.26019e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08665e+02   -2.07345e+02    3.22580e+01    5.60119e-06


DD  step 214119999 load imb.: force 14.4%  pme mesh/force 0.712
           Step           Time
      214120000   428240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65161e+03    1.95517e+04    1.29645e+04    1.22008e+03   -2.94695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90823e+03    9.31324e+04    3.99131e+05   -2.33733e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63695e+04   -2.44846e+06    4.80041e+05   -1.96842e+06    2.26024e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11219e+02   -2.07058e+02   -1.67148e+01    5.60337e-06


DD  step 214124999 load imb.: force 11.6%  pme mesh/force 0.659
           Step           Time
      214125000   428250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07259e+03    1.92987e+04    1.29530e+04    1.15015e+03   -3.05672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90192e+03    9.31231e+04    3.98731e+05   -2.33993e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66071e+04   -2.44677e+06    4.81627e+05   -1.96514e+06    2.26030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12247e+02   -2.07518e+02   -5.37025e+01    5.53146e-06


DD  step 214129999 load imb.: force 14.0%  pme mesh/force 0.751
           Step           Time
      214130000   428260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03205e+03    1.91757e+04    1.30014e+04    1.27575e+03   -3.00769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93491e+03    9.28513e+04    3.98780e+05   -2.33471e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64186e+04   -2.44723e+06    4.79142e+05   -1.96809e+06    2.26036e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.06595e+02   -6.95466e+01    5.52621e-06


DD  step 214134999 load imb.: force 13.5%  pme mesh/force 0.694
           Step           Time
      214135000   428270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12100e+03    1.91266e+04    1.31157e+04    1.24928e+03   -3.09302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98691e+03    9.28482e+04    4.01728e+05   -2.33715e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65567e+04   -2.44656e+06    4.80045e+05   -1.96651e+06    2.26042e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11222e+02   -2.07026e+02    2.16605e+01    5.55586e-06


DD  step 214139999 load imb.: force 12.2%  pme mesh/force 0.684
           Step           Time
      214140000   428280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32203e+03    1.95694e+04    1.29548e+04    1.18637e+03   -3.06010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75844e+03    9.26774e+04    4.00391e+05   -2.34081e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66812e+04   -2.44620e+06    4.79695e+05   -1.96650e+06    2.26047e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.07674e+02   -1.50607e+00    5.45923e-06


DD  step 214144999 load imb.: force 13.6%  pme mesh/force 0.706
           Step           Time
      214145000   428290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01388e+03    1.92999e+04    1.30516e+04    1.10074e+03   -3.00478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87885e+03    9.33571e+04    4.01453e+05   -2.33647e+04   -2.97959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.60878e+04   -2.44872e+06    4.79567e+05   -1.96915e+06    2.26053e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10912e+02   -2.06905e+02    2.98589e+01    5.53047e-06


DD  step 214149999 load imb.: force 12.3%  pme mesh/force 0.674
           Step           Time
      214150000   428300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20966e+03    1.93958e+04    1.31095e+04    1.16138e+03   -3.18435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86592e+03    9.32406e+04    3.99535e+05   -2.33924e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66338e+04   -2.44922e+06    4.80293e+05   -1.96893e+06    2.26059e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11382e+02   -2.07396e+02   -5.66739e+01    5.59120e-06


DD  step 214154999 load imb.: force 13.5%  pme mesh/force 0.709
           Step           Time
      214155000   428310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87174e+03    1.94821e+04    1.29210e+04    1.23689e+03   -3.06333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85837e+03    9.33863e+04    4.04436e+05   -2.33976e+04   -2.98286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61503e+04   -2.44898e+06    4.76744e+05   -1.97223e+06    2.26065e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09082e+02   -2.07489e+02    1.29550e+02    5.51997e-06


DD  step 214159999 load imb.: force 13.3%  pme mesh/force 0.731
           Step           Time
      214160000   428320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07515e+03    1.94535e+04    1.30299e+04    1.21647e+03   -3.04993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89214e+03    9.35355e+04    3.99569e+05   -2.33621e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65443e+04   -2.44564e+06    4.79829e+05   -1.96581e+06    2.26071e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11082e+02   -2.06860e+02   -5.73383e+01    5.64963e-06


DD  step 214164999 load imb.: force 12.5%  pme mesh/force 0.722
           Step           Time
      214165000   428330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09895e+03    1.92860e+04    1.31314e+04    1.26774e+03   -3.10196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72945e+03    9.36867e+04    4.00932e+05   -2.33991e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65840e+04   -2.44859e+06    4.80026e+05   -1.96857e+06    2.26077e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.07515e+02    2.92227e+00    5.48544e-06


DD  step 214169999 load imb.: force 14.3%  pme mesh/force 0.718
           Step           Time
      214170000   428340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18690e+03    1.93535e+04    1.30525e+04    1.20656e+03   -3.07921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82322e+03    9.34776e+04    4.00603e+05   -2.33786e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63141e+04   -2.44688e+06    4.80247e+05   -1.96664e+06    2.26082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11353e+02   -2.07153e+02   -5.78708e+00    5.39193e-06


DD  step 214174999 load imb.: force 12.4%  pme mesh/force 0.713
           Step           Time
      214175000   428350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10221e+03    1.96654e+04    1.32248e+04    1.27316e+03   -3.07906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84546e+03    9.32208e+04    4.00680e+05   -2.33725e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65961e+04   -2.44622e+06    4.79332e+05   -1.96689e+06    2.26089e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.07043e+02    1.46233e+00    5.51676e-06


DD  step 214179999 load imb.: force 11.9%  pme mesh/force 0.700
           Step           Time
      214180000   428360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85246e+03    1.92618e+04    1.30935e+04    1.23432e+03   -3.05114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77169e+03    9.28548e+04    4.00526e+05   -2.33605e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64547e+04   -2.44903e+06    4.77789e+05   -1.97124e+06    2.26094e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09759e+02   -2.06832e+02   -2.88309e+01    5.38410e-06


DD  step 214184999 load imb.: force 14.0%  pme mesh/force 0.721
           Step           Time
      214185000   428370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18846e+03    1.96786e+04    1.30664e+04    1.13851e+03   -3.12915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78695e+03    9.33210e+04    4.03387e+05   -2.34286e+04   -2.97987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63618e+04   -2.44650e+06    4.78255e+05   -1.96825e+06    2.26100e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10061e+02   -2.08039e+02    6.79453e+01    5.59004e-06


DD  step 214189999 load imb.: force 12.9%  pme mesh/force 0.722
           Step           Time
      214190000   428380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03870e+03    1.89655e+04    1.30702e+04    1.15691e+03   -3.07368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85430e+03    9.34279e+04    4.01264e+05   -2.33904e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62480e+04   -2.44767e+06    4.77950e+05   -1.96972e+06    2.26105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09863e+02   -2.07361e+02    1.83315e+00    5.57588e-06


DD  step 214194999 load imb.: force 15.6%  pme mesh/force 0.758
           Step           Time
      214195000   428390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02520e+03    1.96329e+04    1.30011e+04    1.16691e+03   -3.03551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96526e+03    9.32788e+04    3.99440e+05   -2.34176e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65230e+04   -2.44481e+06    4.81166e+05   -1.96364e+06    2.26111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11949e+02   -2.07843e+02    2.20857e+01    5.60617e-06


DD  step 214199999 load imb.: force 12.0%  pme mesh/force 0.680
           Step           Time
      214200000   428400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03906e+03    1.93580e+04    1.29858e+04    1.18399e+03   -3.01744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83282e+03    9.35443e+04    3.99390e+05   -2.33969e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62926e+04   -2.44680e+06    4.81196e+05   -1.96561e+06    2.26117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11968e+02   -2.07475e+02    8.05035e+00    5.66168e-06


DD  step 214204999 load imb.: force 12.7%  pme mesh/force 0.728
           Step           Time
      214205000   428410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21112e+03    1.91653e+04    1.30238e+04    1.21082e+03   -3.07500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95345e+03    9.33774e+04    4.01988e+05   -2.34010e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65695e+04   -2.44686e+06    4.78145e+05   -1.96872e+06    2.26123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09990e+02   -2.07549e+02    4.92658e+01    5.43219e-06


DD  step 214209999 load imb.: force 12.7%  pme mesh/force 0.694
           Step           Time
      214210000   428420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74268e+03    1.91120e+04    1.29719e+04    1.19270e+03   -2.99746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96976e+03    9.33136e+04    4.02956e+05   -2.34201e+04   -2.98269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64346e+04   -2.45042e+06    4.78847e+05   -1.97157e+06    2.26129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10445e+02   -2.07888e+02    9.72062e+01    5.42375e-06


DD  step 214214999 load imb.: force 12.5%  pme mesh/force 0.699
           Step           Time
      214215000   428430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19372e+03    1.93660e+04    1.29404e+04    1.17793e+03   -3.10691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84128e+03    9.31375e+04    4.01481e+05   -2.33774e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64485e+04   -2.44551e+06    4.79141e+05   -1.96637e+06    2.26134e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10635e+02   -2.07131e+02    5.76605e+01    5.32690e-06


DD  step 214219999 load imb.: force 13.6%  pme mesh/force 0.681
           Step           Time
      214220000   428440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98851e+03    1.98503e+04    1.30691e+04    1.22676e+03   -3.11216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82793e+03    9.32150e+04    4.01675e+05   -2.34215e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63266e+04   -2.44593e+06    4.80322e+05   -1.96561e+06    2.26140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11401e+02   -2.07913e+02    8.78492e+01    5.57727e-06


DD  step 214224999 load imb.: force 12.5%  pme mesh/force 0.704
           Step           Time
      214225000   428450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13404e+03    1.93854e+04    1.30713e+04    1.14909e+03   -3.08450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78595e+03    9.28936e+04    3.98533e+05   -2.33628e+04   -2.97420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63069e+04   -2.44639e+06    4.79015e+05   -1.96737e+06    2.26145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10554e+02   -2.06873e+02   -7.79164e+01    5.56036e-06


DD  step 214229999 load imb.: force 13.1%  pme mesh/force 0.689
           Step           Time
      214230000   428460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27436e+03    1.94598e+04    1.29493e+04    1.25541e+03   -3.00832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90215e+03    9.28329e+04    4.02079e+05   -2.34186e+04   -2.97678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64748e+04   -2.44498e+06    4.79189e+05   -1.96579e+06    2.26152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.07860e+02    8.35524e+01    5.55222e-06


DD  step 214234999 load imb.: force 13.2%  pme mesh/force 0.686
           Step           Time
      214235000   428470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92139e+03    1.94864e+04    1.31956e+04    1.27627e+03   -2.92310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82418e+03    9.31908e+04    3.99663e+05   -2.34030e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64771e+04   -2.44509e+06    4.81249e+05   -1.96384e+06    2.26157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12002e+02   -2.07584e+02   -5.88029e+00    5.46374e-06


DD  step 214239999 load imb.: force 13.6%  pme mesh/force 0.721
           Step           Time
      214240000   428480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17304e+03    1.92849e+04    1.30283e+04    1.26495e+03   -2.95983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78549e+03    9.25887e+04    4.01654e+05   -2.33931e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64038e+04   -2.44534e+06    4.78153e+05   -1.96719e+06    2.26163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09995e+02   -2.07409e+02    1.82301e+01    5.50038e-06


DD  step 214244999 load imb.: force 13.2%  pme mesh/force 0.713
           Step           Time
      214245000   428490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04085e+03    1.94302e+04    1.31421e+04    1.23202e+03   -3.12686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86101e+03    9.28979e+04    4.02033e+05   -2.33520e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65079e+04   -2.44698e+06    4.78276e+05   -1.96871e+06    2.26169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10075e+02   -2.06682e+02    1.04756e+01    5.55270e-06


DD  step 214249999 load imb.: force 12.5%  pme mesh/force 0.680
           Step           Time
      214250000   428500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14593e+03    1.97070e+04    1.29333e+04    1.15927e+03   -2.97735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82255e+03    9.32197e+04    4.00462e+05   -2.33892e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64860e+04   -2.44379e+06    4.79883e+05   -1.96391e+06    2.26175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.07339e+02    5.37795e+01    5.45401e-06


DD  step 214254999 load imb.: force 14.2%  pme mesh/force 0.723
           Step           Time
      214255000   428510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92945e+03    1.92472e+04    1.29793e+04    1.15949e+03   -3.03004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81722e+03    9.31208e+04    3.98601e+05   -2.33803e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65631e+04   -2.44690e+06    4.76656e+05   -1.97025e+06    2.26180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09024e+02   -2.07182e+02   -2.05816e+01    5.40477e-06


DD  step 214259999 load imb.: force 11.7%  pme mesh/force 0.683
           Step           Time
      214260000   428520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03659e+03    1.94947e+04    1.29187e+04    1.20461e+03   -3.00369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80336e+03    9.33331e+04    3.99786e+05   -2.33947e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65705e+04   -2.44845e+06    4.79784e+05   -1.96867e+06    2.26187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.07437e+02    2.02594e+00    5.65259e-06


DD  step 214264999 load imb.: force 13.4%  pme mesh/force 0.711
           Step           Time
      214265000   428530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98760e+03    1.93111e+04    1.31163e+04    1.25965e+03   -3.13685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82911e+03    9.37629e+04    3.98563e+05   -2.33262e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64162e+04   -2.44615e+06    4.79015e+05   -1.96714e+06    2.26192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10554e+02   -2.06225e+02   -6.17046e+01    5.68256e-06


DD  step 214269999 load imb.: force 13.8%  pme mesh/force 0.690
           Step           Time
      214270000   428540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85515e+03    1.90775e+04    1.28718e+04    1.21989e+03   -3.00412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89143e+03    9.33550e+04    4.01429e+05   -2.33619e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62915e+04   -2.44845e+06    4.79788e+05   -1.96866e+06    2.26198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11055e+02   -2.06856e+02    1.77504e+01    5.57347e-06


DD  step 214274999 load imb.: force 14.7%  pme mesh/force 0.741
           Step           Time
      214275000   428550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27266e+03    1.93794e+04    1.30723e+04    1.27315e+03   -3.00154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79889e+03    9.31386e+04    3.99883e+05   -2.33809e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63579e+04   -2.44671e+06    4.79264e+05   -1.96744e+06    2.26204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10716e+02   -2.07193e+02   -3.43826e+01    5.62319e-06


DD  step 214279999 load imb.: force 14.7%  pme mesh/force 0.710
           Step           Time
      214280000   428560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11321e+03    1.93050e+04    1.30318e+04    1.14378e+03   -3.01694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80580e+03    9.31903e+04    3.99754e+05   -2.34227e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62999e+04   -2.44928e+06    4.80240e+05   -1.96904e+06    2.26209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.07933e+02   -1.54887e+00    5.60318e-06


DD  step 214284999 load imb.: force 12.3%  pme mesh/force 0.669
           Step           Time
      214285000   428570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93391e+03    1.92384e+04    1.29751e+04    1.08721e+03   -2.99522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82035e+03    9.29442e+04    4.02080e+05   -2.33964e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65292e+04   -2.44838e+06    4.80848e+05   -1.96753e+06    2.26215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.07467e+02    7.55123e+01    5.56819e-06


DD  step 214289999 load imb.: force 15.3%  pme mesh/force 0.721
           Step           Time
      214290000   428580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98858e+03    1.94388e+04    1.30429e+04    1.17981e+03   -3.01829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84600e+03    9.28185e+04    4.00180e+05   -2.34066e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67571e+04   -2.44725e+06    4.79328e+05   -1.96792e+06    2.26222e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.07649e+02   -3.71422e+01    5.82638e-06


DD  step 214294999 load imb.: force 15.0%  pme mesh/force 0.713
           Step           Time
      214295000   428590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16136e+03    1.91209e+04    1.30736e+04    1.14836e+03   -3.01566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90861e+03    9.32612e+04    4.02748e+05   -2.33884e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63882e+04   -2.44671e+06    4.79480e+05   -1.96723e+06    2.26227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10855e+02   -2.07326e+02    5.80529e+01    5.61268e-06


DD  step 214299999 load imb.: force 12.9%  pme mesh/force 0.718
           Step           Time
      214300000   428600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90501e+03    1.95557e+04    1.30060e+04    1.20092e+03   -2.92458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92442e+03    9.30061e+04    4.02301e+05   -2.33861e+04   -2.97969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65366e+04   -2.44757e+06    4.79962e+05   -1.96760e+06    2.26233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.07284e+02    1.91289e+01    5.66041e-06


DD  step 214304999 load imb.: force 14.4%  pme mesh/force 0.692
           Step           Time
      214305000   428610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00511e+03    1.93069e+04    1.32103e+04    1.22454e+03   -3.07066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92811e+03    9.29945e+04    4.00158e+05   -2.33769e+04   -2.97519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66463e+04   -2.44517e+06    4.78631e+05   -1.96653e+06    2.26239e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10305e+02   -2.07122e+02   -2.24290e+01    5.59319e-06


DD  step 214309999 load imb.: force 13.7%  pme mesh/force 0.710
           Step           Time
      214310000   428620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09678e+03    1.90519e+04    1.27988e+04    1.07565e+03   -3.00841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77207e+03    9.27965e+04    4.00560e+05   -2.34225e+04   -2.98085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63625e+04   -2.45176e+06    4.77301e+05   -1.97446e+06    2.26244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09443e+02   -2.07929e+02   -6.48690e+01    5.63177e-06


DD  step 214314999 load imb.: force 16.8%  pme mesh/force 0.747
           Step           Time
      214315000   428630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20800e+03    1.92387e+04    1.30081e+04    1.16662e+03   -3.02263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83806e+03    9.33172e+04    4.01841e+05   -2.33296e+04   -2.97885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66577e+04   -2.44693e+06    4.81034e+05   -1.96589e+06    2.26250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.06285e+02    1.80722e+01    5.48831e-06


DD  step 214319999 load imb.: force 14.8%  pme mesh/force 0.736
           Step           Time
      214320000   428640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91967e+03    1.96253e+04    1.30828e+04    1.20450e+03   -3.05452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80296e+03    9.34421e+04    3.98711e+05   -2.33562e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66619e+04   -2.44804e+06    4.79421e+05   -1.96862e+06    2.26256e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.06756e+02   -7.02627e+01    5.60517e-06


DD  step 214324999 load imb.: force 12.6%  pme mesh/force 0.713
           Step           Time
      214325000   428650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32617e+03    1.95519e+04    1.29947e+04    1.20168e+03   -3.01818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82213e+03    9.29633e+04    3.97246e+05   -2.33524e+04   -2.97081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66446e+04   -2.44343e+06    4.81471e+05   -1.96196e+06    2.26261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12146e+02   -2.06688e+02   -1.09943e+02    5.63635e-06


DD  step 214329999 load imb.: force 14.9%  pme mesh/force 0.740
           Step           Time
      214330000   428660.00000

Writing checkpoint, step 214330000 at Tue Nov  7 15:16:28 2023


   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16045e+03    1.95494e+04    1.28826e+04    1.14180e+03   -3.06126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95065e+03    9.35148e+04    4.00655e+05   -2.34014e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66098e+04   -2.44580e+06    4.80440e+05   -1.96536e+06    2.26267e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.07556e+02    4.97506e+01    5.65294e-06


DD  step 214334999 load imb.: force 11.7%  pme mesh/force 0.700
           Step           Time
      214335000   428670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09820e+03    1.91911e+04    1.30822e+04    1.20017e+03   -3.14506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90066e+03    9.32454e+04    4.01560e+05   -2.33671e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63962e+04   -2.44701e+06    4.77813e+05   -1.96920e+06    2.26273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09775e+02   -2.06949e+02    3.38185e+01    5.65812e-06


DD  step 214339999 load imb.: force 17.5%  pme mesh/force 0.834
           Step           Time
      214340000   428680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73896e+03    1.90872e+04    1.31780e+04    1.09433e+03   -3.09120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89141e+03    9.30679e+04    4.00417e+05   -2.33661e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66991e+04   -2.44908e+06    4.79474e+05   -1.96960e+06    2.26278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10851e+02   -2.06931e+02   -2.64637e+01    5.59500e-06


DD  step 214344999 load imb.: force 13.8%  pme mesh/force 0.731
           Step           Time
      214345000   428690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07309e+03    1.94078e+04    1.30297e+04    1.22424e+03   -3.02966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75685e+03    9.26296e+04    4.00003e+05   -2.33919e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64615e+04   -2.44629e+06    4.80318e+05   -1.96598e+06    2.26285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.07387e+02    3.33504e+01    5.60809e-06


DD  step 214349999 load imb.: force 13.5%  pme mesh/force 0.711
           Step           Time
      214350000   428700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05995e+03    1.94011e+04    1.29574e+04    1.19429e+03   -3.03266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83767e+03    9.25076e+04    4.00816e+05   -2.33711e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64316e+04   -2.44544e+06    4.78373e+05   -1.96707e+06    2.26290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10138e+02   -2.07020e+02    9.76367e+00    5.54948e-06


DD  step 214354999 load imb.: force 12.5%  pme mesh/force 0.690
           Step           Time
      214355000   428710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94499e+03    1.92329e+04    1.29630e+04    1.21772e+03   -3.04346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91402e+03    9.27000e+04    3.99770e+05   -2.33596e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66532e+04   -2.44983e+06    4.78069e+05   -1.97176e+06    2.26296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09940e+02   -2.06816e+02   -1.07886e+02    5.60434e-06


DD  step 214359999 load imb.: force 14.7%  pme mesh/force 0.711
           Step           Time
      214360000   428720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87360e+03    1.93939e+04    1.31849e+04    1.26863e+03   -3.08423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87209e+03    9.28918e+04    3.99739e+05   -2.33460e+04   -2.97532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65344e+04   -2.44600e+06    4.80003e+05   -1.96599e+06    2.26302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11194e+02   -2.06575e+02   -3.52702e+01    5.54126e-06


DD  step 214364999 load imb.: force 13.3%  pme mesh/force 0.688
           Step           Time
      214365000   428730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77736e+03    1.92944e+04    1.30630e+04    1.14925e+03   -2.99534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84545e+03    9.31322e+04    4.04393e+05   -2.33762e+04   -2.98149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69552e+04   -2.44725e+06    4.77427e+05   -1.96983e+06    2.26308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09525e+02   -2.07109e+02    8.51579e+01    5.60984e-06


DD  step 214369999 load imb.: force 14.7%  pme mesh/force 0.721
           Step           Time
      214370000   428740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92911e+03    1.96124e+04    1.29694e+04    1.19786e+03   -2.89841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93846e+03    9.20337e+04    3.99255e+05   -2.33675e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64694e+04   -2.44673e+06    4.78917e+05   -1.96781e+06    2.26314e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.06956e+02    2.06055e+01    5.56982e-06


DD  step 214374999 load imb.: force 13.0%  pme mesh/force 0.677
           Step           Time
      214375000   428750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02634e+03    1.96979e+04    1.29584e+04    1.18328e+03   -2.96122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85169e+03    9.27174e+04    4.02015e+05   -2.33977e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62046e+04   -2.44868e+06    4.81148e+05   -1.96753e+06    2.26319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11937e+02   -2.07490e+02    4.52928e+01    5.65452e-06


DD  step 214379999 load imb.: force 13.1%  pme mesh/force 0.705
           Step           Time
      214380000   428760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19535e+03    1.93424e+04    1.31499e+04    1.21272e+03   -3.01355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90310e+03    9.29113e+04    4.02186e+05   -2.33698e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67463e+04   -2.44484e+06    4.81733e+05   -1.96311e+06    2.26325e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12316e+02   -2.06997e+02    3.02752e+01    5.65033e-06


DD  step 214384999 load imb.: force 13.2%  pme mesh/force 0.712
           Step           Time
      214385000   428770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06968e+03    1.92404e+04    1.29058e+04    1.16962e+03   -2.87125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80514e+03    9.30863e+04    3.99666e+05   -2.33881e+04   -2.97731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66324e+04   -2.44799e+06    4.81034e+05   -1.96696e+06    2.26331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.07321e+02   -2.75527e+01    5.72632e-06


DD  step 214389999 load imb.: force 12.5%  pme mesh/force 0.724
           Step           Time
      214390000   428780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09180e+03    1.94558e+04    1.32659e+04    1.15834e+03   -2.97185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88769e+03    9.27829e+04    4.00874e+05   -2.33989e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64147e+04   -2.44761e+06    4.79349e+05   -1.96826e+06    2.26337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.07511e+02   -1.42051e+01    5.52705e-06


DD  step 214394999 load imb.: force 12.5%  pme mesh/force 0.708
           Step           Time
      214395000   428790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01543e+03    1.89451e+04    1.28730e+04    1.20853e+03   -2.85889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84899e+03    9.28002e+04    3.98607e+05   -2.33715e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64898e+04   -2.44936e+06    4.78559e+05   -1.97080e+06    2.26342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10258e+02   -2.07026e+02   -7.33985e+01    5.53153e-06


DD  step 214399999 load imb.: force 12.0%  pme mesh/force 0.683
           Step           Time
      214400000   428800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23860e+03    1.95178e+04    1.29480e+04    1.07515e+03   -3.00111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97293e+03    9.27131e+04    3.99028e+05   -2.34036e+04   -2.97518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67031e+04   -2.44639e+06    4.78931e+05   -1.96745e+06    2.26348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.07595e+02    3.75557e+00    5.67877e-06


DD  step 214404999 load imb.: force 15.4%  pme mesh/force 0.754
           Step           Time
      214405000   428810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04679e+03    1.95317e+04    1.28632e+04    1.19860e+03   -2.87979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84471e+03    9.27496e+04    4.00295e+05   -2.33705e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65415e+04   -2.44538e+06    4.78950e+05   -1.96643e+06    2.26354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10512e+02   -2.07008e+02    5.39365e+00    5.59537e-06


DD  step 214409999 load imb.: force 13.3%  pme mesh/force 0.720
           Step           Time
      214410000   428820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02676e+03    1.91886e+04    1.28799e+04    1.15492e+03   -3.00760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87750e+03    9.30738e+04    4.00954e+05   -2.33551e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66246e+04   -2.44665e+06    4.80142e+05   -1.96651e+06    2.26360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.06736e+02   -1.08120e+01    5.62035e-06


DD  step 214414999 load imb.: force 13.1%  pme mesh/force 0.710
           Step           Time
      214415000   428830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01924e+03    1.94255e+04    1.29113e+04    1.16295e+03   -3.02348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99488e+03    9.25160e+04    4.00587e+05   -2.33625e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67947e+04   -2.44728e+06    4.82122e+05   -1.96516e+06    2.26366e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12568e+02   -2.06868e+02   -2.37233e+01    5.54474e-06


DD  step 214419999 load imb.: force 15.4%  pme mesh/force 0.654
           Step           Time
      214420000   428840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02399e+03    1.97617e+04    1.30200e+04    1.16709e+03   -3.02904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80816e+03    9.22321e+04    4.01265e+05   -2.33607e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64770e+04   -2.44475e+06    4.77715e+05   -1.96703e+06    2.26371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09711e+02   -2.06835e+02    5.19089e+01    5.51629e-06


DD  step 214424999 load imb.: force 13.8%  pme mesh/force 0.712
           Step           Time
      214425000   428850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00877e+03    1.90555e+04    1.30263e+04    1.25397e+03   -2.98244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95402e+03    9.28035e+04    4.00591e+05   -2.34664e+04   -2.97855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64013e+04   -2.44891e+06    4.77553e+05   -1.97135e+06    2.26377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09606e+02   -2.08709e+02    3.43932e+01    5.63896e-06


DD  step 214429999 load imb.: force 13.8%  pme mesh/force 0.690
           Step           Time
      214430000   428860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01389e+03    1.93463e+04    1.30741e+04    1.12385e+03   -3.13626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97699e+03    9.31696e+04    4.02337e+05   -2.33815e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65138e+04   -2.44578e+06    4.81142e+05   -1.96464e+06    2.26383e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11933e+02   -2.07203e+02    1.03020e+02    5.41570e-06


DD  step 214434999 load imb.: force 13.9%  pme mesh/force 0.677
           Step           Time
      214435000   428870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98735e+03    1.93769e+04    1.31887e+04    1.17179e+03   -3.01262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94613e+03    9.27294e+04    4.00940e+05   -2.34255e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64661e+04   -2.44662e+06    4.82710e+05   -1.96391e+06    2.26388e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12949e+02   -2.07982e+02    5.45563e+01    5.71757e-06


DD  step 214439999 load imb.: force 13.5%  pme mesh/force 0.714
           Step           Time
      214440000   428880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94903e+03    1.94917e+04    1.29090e+04    1.15867e+03   -3.05091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82246e+03    9.23970e+04    4.00294e+05   -2.33898e+04   -2.97533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64431e+04   -2.44630e+06    4.78131e+05   -1.96817e+06    2.26394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09981e+02   -2.07351e+02    2.93902e+01    5.54006e-06


DD  step 214444999 load imb.: force 12.4%  pme mesh/force 0.705
           Step           Time
      214445000   428890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00670e+03    1.96426e+04    1.29454e+04    1.09752e+03   -2.98656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92996e+03    9.21487e+04    4.00518e+05   -2.33823e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64116e+04   -2.44478e+06    4.78821e+05   -1.96595e+06    2.26400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10428e+02   -2.07218e+02    3.72314e+01    5.47961e-06


DD  step 214449999 load imb.: force 14.3%  pme mesh/force 0.708
           Step           Time
      214450000   428900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09805e+03    1.94693e+04    1.29457e+04    1.11938e+03   -3.03754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94481e+03    9.20673e+04    4.00925e+05   -2.34073e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66449e+04   -2.44775e+06    4.79939e+05   -1.96781e+06    2.26406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.07660e+02    7.15796e+01    5.51147e-06


DD  step 214454999 load imb.: force 13.9%  pme mesh/force 0.695
           Step           Time
      214455000   428910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23083e+03    1.95902e+04    1.31092e+04    1.13697e+03   -2.96789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88113e+03    9.25058e+04    3.96155e+05   -2.33813e+04   -2.97200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61866e+04   -2.44655e+06    4.79103e+05   -1.96745e+06    2.26412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10611e+02   -2.07200e+02   -1.19851e+02    5.43453e-06


DD  step 214459999 load imb.: force 13.1%  pme mesh/force 0.684
           Step           Time
      214460000   428920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77676e+03    1.92054e+04    1.31686e+04    1.19235e+03   -2.99560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96617e+03    9.31060e+04    4.01054e+05   -2.34024e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65548e+04   -2.44618e+06    4.79939e+05   -1.96624e+06    2.26417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.07573e+02    8.20367e+01    5.48711e-06


DD  step 214464999 load imb.: force 12.0%  pme mesh/force 0.700
           Step           Time
      214465000   428930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93665e+03    1.91475e+04    1.28381e+04    1.26851e+03   -3.01175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97043e+03    9.28437e+04    4.04353e+05   -2.33491e+04   -2.98279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64315e+04   -2.44936e+06    4.79669e+05   -1.96969e+06    2.26423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10978e+02   -2.06629e+02    1.03347e+02    5.47118e-06


DD  step 214469999 load imb.: force 10.6%  pme mesh/force 0.665
           Step           Time
      214470000   428940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92433e+03    1.95918e+04    1.28843e+04    1.22210e+03   -2.95662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77494e+03    9.27075e+04    4.00516e+05   -2.33670e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65607e+04   -2.44653e+06    4.77072e+05   -1.96946e+06    2.26429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09294e+02   -2.06947e+02   -2.38168e+01    5.60944e-06


DD  step 214474999 load imb.: force 13.1%  pme mesh/force 0.690
           Step           Time
      214475000   428950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00304e+03    1.92499e+04    1.30629e+04    1.25193e+03   -2.97908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93835e+03    9.23526e+04    4.00120e+05   -2.33971e+04   -2.97637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64916e+04   -2.44727e+06    4.79333e+05   -1.96794e+06    2.26435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.07480e+02   -3.39398e+01    5.57357e-06


DD  step 214479999 load imb.: force 13.8%  pme mesh/force 0.702
           Step           Time
      214480000   428960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91448e+03    1.98141e+04    1.30802e+04    1.23981e+03   -3.00452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91054e+03    9.26664e+04    3.98198e+05   -2.34079e+04   -2.97339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65923e+04   -2.44539e+06    4.78721e+05   -1.96667e+06    2.26441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10364e+02   -2.07671e+02   -1.88998e+01    5.38997e-06


DD  step 214484999 load imb.: force 12.4%  pme mesh/force 0.686
           Step           Time
      214485000   428970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01224e+03    1.98004e+04    1.28950e+04    1.14658e+03   -3.02799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84025e+03    9.25624e+04    3.98089e+05   -2.34103e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65468e+04   -2.44854e+06    4.80294e+05   -1.96825e+06    2.26447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.07714e+02   -5.97130e+01    5.58926e-06


DD  step 214489999 load imb.: force 13.5%  pme mesh/force 0.710
           Step           Time
      214490000   428980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38939e+03    1.95565e+04    1.30989e+04    1.21012e+03   -3.08311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82761e+03    9.22719e+04    4.01642e+05   -2.33914e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65120e+04   -2.44711e+06    4.80271e+05   -1.96684e+06    2.26453e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11368e+02   -2.07379e+02    3.85910e+01    5.68419e-06


DD  step 214494999 load imb.: force 13.0%  pme mesh/force 0.711
           Step           Time
      214495000   428990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08128e+03    1.97884e+04    1.31581e+04    1.15586e+03   -2.98356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96158e+03    9.27537e+04    4.00323e+05   -2.33063e+04   -2.97318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65578e+04   -2.44269e+06    4.80964e+05   -1.96173e+06    2.26458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11818e+02   -2.05875e+02   -1.99726e+01    5.56398e-06


DD  step 214499999 load imb.: force 12.4%  pme mesh/force 0.716
           Step           Time
      214500000   429000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29359e+03    1.95504e+04    1.30929e+04    1.16544e+03   -3.05019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94218e+03    9.25441e+04    4.01695e+05   -2.33833e+04   -2.97732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63956e+04   -2.44607e+06    4.81122e+05   -1.96495e+06    2.26464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11920e+02   -2.07236e+02    3.67867e+01    5.60067e-06


DD  step 214504999 load imb.: force 14.6%  pme mesh/force 0.731
           Step           Time
      214505000   429010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12518e+03    1.89805e+04    1.29503e+04    1.09398e+03   -2.98897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79634e+03    9.24708e+04    3.99231e+05   -2.33479e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65490e+04   -2.44706e+06    4.80281e+05   -1.96678e+06    2.26469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.06610e+02   -7.44685e+01    5.70199e-06


DD  step 214509999 load imb.: force 13.1%  pme mesh/force 0.697
           Step           Time
      214510000   429020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21755e+03    1.95405e+04    1.28285e+04    1.23304e+03   -2.98679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97879e+03    9.24162e+04    4.00429e+05   -2.34137e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64940e+04   -2.44852e+06    4.81808e+05   -1.96671e+06    2.26476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12365e+02   -2.07773e+02    1.76871e+01    5.59710e-06


DD  step 214514999 load imb.: force 12.8%  pme mesh/force 0.711
           Step           Time
      214515000   429030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22284e+03    1.94122e+04    1.29753e+04    1.19036e+03   -2.92725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00685e+03    9.23259e+04    4.03137e+05   -2.33740e+04   -2.98074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65598e+04   -2.44821e+06    4.79339e+05   -1.96887e+06    2.26482e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10764e+02   -2.07071e+02    1.10339e+02    5.67483e-06


DD  step 214519999 load imb.: force 12.8%  pme mesh/force 0.693
           Step           Time
      214520000   429040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04224e+03    1.95864e+04    1.30816e+04    1.21471e+03   -3.05825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83208e+03    9.20708e+04    3.99932e+05   -2.33998e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64572e+04   -2.44706e+06    4.78654e+05   -1.96840e+06    2.26487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10320e+02   -2.07527e+02   -1.71821e+01    5.49671e-06


DD  step 214524999 load imb.: force 13.4%  pme mesh/force 0.704
           Step           Time
      214525000   429050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19618e+03    1.95005e+04    1.30430e+04    1.21366e+03   -2.94767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77717e+03    9.20242e+04    3.99523e+05   -2.33778e+04   -2.97525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63843e+04   -2.44691e+06    4.80141e+05   -1.96677e+06    2.26493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11284e+02   -2.07138e+02   -9.08227e+01    5.38805e-06


DD  step 214529999 load imb.: force 13.1%  pme mesh/force 0.692
           Step           Time
      214530000   429060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29384e+03    1.93076e+04    1.29299e+04    1.25103e+03   -2.95769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82898e+03    9.22027e+04    3.99767e+05   -2.33818e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65469e+04   -2.44775e+06    4.79851e+05   -1.96790e+06    2.26498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11096e+02   -2.07209e+02    2.40750e+00    5.75080e-06


DD  step 214534999 load imb.: force 11.7%  pme mesh/force 0.702
           Step           Time
      214535000   429070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05097e+03    1.93246e+04    1.29698e+04    1.24137e+03   -2.96844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94801e+03    9.28427e+04    3.98730e+05   -2.33388e+04   -2.97345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67604e+04   -2.44489e+06    4.79863e+05   -1.96503e+06    2.26504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11104e+02   -2.06448e+02   -3.96524e+01    5.68821e-06


DD  step 214539999 load imb.: force 11.9%  pme mesh/force 0.699
           Step           Time
      214540000   429080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96145e+03    1.88879e+04    1.30150e+04    1.16447e+03   -2.86125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80509e+03    9.26050e+04    4.03120e+05   -2.33980e+04   -2.98131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65619e+04   -2.44945e+06    4.78994e+05   -1.97046e+06    2.26510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10540e+02   -2.07496e+02    3.20621e+01    5.69265e-06


DD  step 214544999 load imb.: force 11.7%  pme mesh/force 0.682
           Step           Time
      214545000   429090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22830e+03    1.93123e+04    1.29864e+04    1.10325e+03   -2.97391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74596e+03    9.21960e+04    4.01170e+05   -2.33731e+04   -2.97881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63554e+04   -2.44906e+06    4.77933e+05   -1.97113e+06    2.26516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09853e+02   -2.07055e+02   -5.12740e+01    5.74855e-06


DD  step 214549999 load imb.: force 12.1%  pme mesh/force 0.706
           Step           Time
      214550000   429100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91826e+03    1.97412e+04    1.29939e+04    1.20001e+03   -3.01660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80078e+03    9.26092e+04    4.01370e+05   -2.33859e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64649e+04   -2.44784e+06    4.79722e+05   -1.96812e+06    2.26522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.07281e+02    2.28102e+00    5.64759e-06


DD  step 214554999 load imb.: force 11.8%  pme mesh/force 0.675
           Step           Time
      214555000   429110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07577e+03    1.90640e+04    1.31527e+04    1.24818e+03   -3.10995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83371e+03    9.24797e+04    4.03458e+05   -2.33882e+04   -2.98158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65173e+04   -2.44925e+06    4.79586e+05   -1.96967e+06    2.26527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10924e+02   -2.07322e+02    7.67187e+01    5.83352e-06


DD  step 214559999 load imb.: force 12.5%  pme mesh/force 0.711
           Step           Time
      214560000   429120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80722e+03    1.94930e+04    1.30007e+04    1.10604e+03   -3.06870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83063e+03    9.26246e+04    4.02700e+05   -2.34100e+04   -2.98115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64515e+04   -2.44961e+06    4.77593e+05   -1.97202e+06    2.26533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09632e+02   -2.07708e+02    6.30116e+01    5.53053e-06


DD  step 214564999 load imb.: force 12.0%  pme mesh/force 0.676
           Step           Time
      214565000   429130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05675e+03    1.96238e+04    1.30551e+04    1.16329e+03   -2.95724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95245e+03    9.26312e+04    3.99414e+05   -2.33629e+04   -2.97276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65385e+04   -2.44365e+06    4.80229e+05   -1.96342e+06    2.26539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11341e+02   -2.06874e+02    3.45246e+01    5.61882e-06


DD  step 214569999 load imb.: force 12.3%  pme mesh/force 0.712
           Step           Time
      214570000   429140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96334e+03    1.93605e+04    1.30408e+04    1.18547e+03   -2.85613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93253e+03    9.31067e+04    4.00820e+05   -2.34331e+04   -2.97968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65989e+04   -2.44896e+06    4.79595e+05   -1.96937e+06    2.26545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.08118e+02    5.35069e+00    5.58988e-06


DD  step 214574999 load imb.: force 11.4%  pme mesh/force 0.687
           Step           Time
      214575000   429150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96158e+03    1.92698e+04    1.30031e+04    1.19647e+03   -2.99017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94843e+03    9.24959e+04    3.98389e+05   -2.33553e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65429e+04   -2.44692e+06    4.80301e+05   -1.96662e+06    2.26550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11388e+02   -2.06739e+02   -6.03617e+01    5.54362e-06


DD  step 214579999 load imb.: force 12.3%  pme mesh/force 0.690
           Step           Time
      214580000   429160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24199e+03    1.92904e+04    1.29232e+04    1.16927e+03   -2.99150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74266e+03    9.27712e+04    3.99722e+05   -2.33668e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63411e+04   -2.44945e+06    4.78554e+05   -1.97090e+06    2.26556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10255e+02   -2.06943e+02   -7.11667e+01    5.54752e-06


DD  step 214584999 load imb.: force 13.6%  pme mesh/force 0.731
           Step           Time
      214585000   429170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90539e+03    1.94798e+04    1.29427e+04    1.18707e+03   -3.01553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82995e+03    9.25351e+04    4.04985e+05   -2.34363e+04   -2.98410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66310e+04   -2.45006e+06    4.80677e+05   -1.96938e+06    2.26562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11632e+02   -2.08174e+02    1.53858e+02    5.58231e-06


DD  step 214589999 load imb.: force 11.6%  pme mesh/force 0.672
           Step           Time
      214590000   429180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93941e+03    1.89569e+04    1.31202e+04    1.23411e+03   -2.95635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87707e+03    9.32247e+04    4.01962e+05   -2.33622e+04   -2.97751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65123e+04   -2.44600e+06    4.79979e+05   -1.96603e+06    2.26568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.06863e+02    5.20011e+01    5.65036e-06


DD  step 214594999 load imb.: force 12.4%  pme mesh/force 0.679
           Step           Time
      214595000   429190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90531e+03    1.96776e+04    1.30529e+04    1.09112e+03   -3.01961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88291e+03    9.25112e+04    3.98572e+05   -2.33840e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65142e+04   -2.44691e+06    4.80626e+05   -1.96628e+06    2.26573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.07248e+02   -3.39499e+01    5.81492e-06


DD  step 214599999 load imb.: force 13.5%  pme mesh/force 0.714
           Step           Time
      214600000   429200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13927e+03    1.96492e+04    1.30702e+04    1.22853e+03   -2.99468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65163e+03    9.23010e+04    4.00351e+05   -2.33980e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62958e+04   -2.44790e+06    4.79257e+05   -1.96864e+06    2.26579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.07495e+02   -3.93326e+01    5.48958e-06


DD  step 214604999 load imb.: force 12.3%  pme mesh/force 0.706
           Step           Time
      214605000   429210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94418e+03    1.91949e+04    1.30945e+04    1.22520e+03   -3.06164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00071e+03    9.37420e+04    3.98956e+05   -2.34021e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65752e+04   -2.44622e+06    4.81301e+05   -1.96492e+06    2.26585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12036e+02   -2.07568e+02    2.74521e+01    5.60114e-06


DD  step 214609999 load imb.: force 11.7%  pme mesh/force 0.692
           Step           Time
      214610000   429220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06184e+03    1.96002e+04    1.29059e+04    1.19667e+03   -3.06609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96134e+03    9.29032e+04    3.99435e+05   -2.33310e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65816e+04   -2.44529e+06    4.80124e+05   -1.96517e+06    2.26591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11273e+02   -2.06311e+02   -1.81992e+01    5.60159e-06


DD  step 214614999 load imb.: force 11.1%  pme mesh/force 0.673
           Step           Time
      214615000   429230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05762e+03    1.93782e+04    1.30144e+04    1.16687e+03   -3.08203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85373e+03    9.25287e+04    4.00591e+05   -2.33770e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63280e+04   -2.44800e+06    4.78870e+05   -1.96913e+06    2.26597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10460e+02   -2.07124e+02   -1.54141e+00    5.73778e-06


DD  step 214619999 load imb.: force 14.6%  pme mesh/force 0.767
           Step           Time
      214620000   429240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01098e+03    1.93112e+04    1.30412e+04    1.13746e+03   -3.07813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80648e+03    9.26364e+04    4.00185e+05   -2.33806e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64306e+04   -2.44681e+06    4.79781e+05   -1.96703e+06    2.26603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.07188e+02    8.10608e-01    5.68856e-06


DD  step 214624999 load imb.: force 10.2%  pme mesh/force 0.672
           Step           Time
      214625000   429250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11139e+03    1.97043e+04    1.30899e+04    1.31707e+03   -3.05420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72378e+03    9.31670e+04    3.99053e+05   -2.33498e+04   -2.97270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67792e+04   -2.44316e+06    4.79099e+05   -1.96406e+06    2.26609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10608e+02   -2.06642e+02   -6.88628e+01    5.86682e-06


DD  step 214629999 load imb.: force 12.3%  pme mesh/force 0.701
           Step           Time
      214630000   429260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00969e+03    1.95742e+04    1.28085e+04    1.16930e+03   -2.91384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84711e+03    9.27375e+04    4.00121e+05   -2.33982e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66246e+04   -2.44566e+06    4.80189e+05   -1.96547e+06    2.26615e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.07499e+02    1.84455e+01    5.69616e-06


DD  step 214634999 load imb.: force 14.0%  pme mesh/force 0.712
           Step           Time
      214635000   429270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94167e+03    1.92016e+04    1.31597e+04    1.09178e+03   -2.94468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99938e+03    9.27848e+04    4.00990e+05   -2.33669e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66147e+04   -2.44757e+06    4.80236e+05   -1.96733e+06    2.26621e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11346e+02   -2.06944e+02   -2.45515e+01    5.71717e-06


DD  step 214639999 load imb.: force 13.9%  pme mesh/force 0.728
           Step           Time
      214640000   429280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15949e+03    1.92368e+04    1.29937e+04    1.09713e+03   -2.99026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78240e+03    9.28641e+04    4.01111e+05   -2.33662e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64088e+04   -2.44825e+06    4.80376e+05   -1.96787e+06    2.26627e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11436e+02   -2.06932e+02   -4.21750e+01    5.79547e-06


DD  step 214644999 load imb.: force 13.3%  pme mesh/force 0.705
           Step           Time
      214645000   429290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90441e+03    1.94285e+04    1.30552e+04    1.18110e+03   -3.03708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95882e+03    9.25278e+04    4.01237e+05   -2.33558e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65339e+04   -2.44549e+06    4.80957e+05   -1.96453e+06    2.26633e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.06749e+02    6.73697e+01    5.73599e-06


DD  step 214649999 load imb.: force 13.8%  pme mesh/force 0.717
           Step           Time
      214650000   429300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04150e+03    1.96156e+04    1.30161e+04    1.20377e+03   -3.02563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78841e+03    9.24594e+04    4.02635e+05   -2.33653e+04   -2.97903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64230e+04   -2.44724e+06    4.79402e+05   -1.96784e+06    2.26638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.06917e+02    3.75718e+01    5.66740e-06


DD  step 214654999 load imb.: force 13.5%  pme mesh/force 0.697
           Step           Time
      214655000   429310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12876e+03    1.94396e+04    1.30064e+04    1.26865e+03   -3.08873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84717e+03    9.24539e+04    3.98110e+05   -2.33303e+04   -2.97165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65258e+04   -2.44429e+06    4.78873e+05   -1.96542e+06    2.26644e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10462e+02   -2.06298e+02   -1.18800e+02    5.52888e-06


DD  step 214659999 load imb.: force 12.3%  pme mesh/force 0.691
           Step           Time
      214660000   429320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05703e+03    1.94281e+04    1.31150e+04    1.24706e+03   -3.07121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77214e+03    9.26524e+04    3.97848e+05   -2.33424e+04   -2.97385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64694e+04   -2.44667e+06    4.81530e+05   -1.96514e+06    2.26650e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12185e+02   -2.06511e+02   -8.37706e+01    5.70103e-06


DD  step 214664999 load imb.: force 12.4%  pme mesh/force 0.710
           Step           Time
      214665000   429330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23306e+03    1.93266e+04    1.30954e+04    1.20806e+03   -2.90123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81482e+03    9.26202e+04    3.98392e+05   -2.33573e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65486e+04   -2.44673e+06    4.80130e+05   -1.96660e+06    2.26656e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.06776e+02   -1.06403e+02    5.77304e-06


DD  step 214669999 load imb.: force 13.7%  pme mesh/force 0.697
           Step           Time
      214670000   429340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94459e+03    1.92138e+04    1.28319e+04    1.14755e+03   -3.01635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75777e+03    9.29923e+04    4.01008e+05   -2.34163e+04   -2.97845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65822e+04   -2.44841e+06    4.77575e+05   -1.97083e+06    2.26661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09621e+02   -2.07820e+02    2.98338e+01    5.65523e-06


DD  step 214674999 load imb.: force 13.2%  pme mesh/force 0.707
           Step           Time
      214675000   429350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79777e+03    1.95428e+04    1.31055e+04    1.10331e+03   -2.94405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84077e+03    9.25279e+04    3.99204e+05   -2.33786e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66690e+04   -2.44667e+06    4.80083e+05   -1.96658e+06    2.26667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11246e+02   -2.07152e+02   -3.85355e+01    5.65292e-06


DD  step 214679999 load imb.: force 14.4%  pme mesh/force 0.730
           Step           Time
      214680000   429360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09076e+03    1.98176e+04    1.31150e+04    1.12000e+03   -3.03346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83519e+03    9.26556e+04    3.97479e+05   -2.33864e+04   -2.97380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63869e+04   -2.44672e+06    4.80800e+05   -1.96592e+06    2.26674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11711e+02   -2.07290e+02   -8.19161e+01    5.74081e-06

Writing checkpoint, step 214683300 at Tue Nov  7 15:31:28 2023



DD  step 214684999 load imb.: force 13.4%  pme mesh/force 0.695
           Step           Time
      214685000   429370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97024e+03    1.95528e+04    1.30406e+04    1.11953e+03   -3.02751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91373e+03    9.26178e+04    4.00337e+05   -2.34063e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66689e+04   -2.44652e+06    4.77283e+05   -1.96924e+06    2.26679e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09431e+02   -2.07643e+02    4.82149e+01    5.65040e-06


DD  step 214689999 load imb.: force 12.2%  pme mesh/force 0.711
           Step           Time
      214690000   429380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11350e+03    1.92773e+04    1.29255e+04    1.17716e+03   -2.99940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73777e+03    9.23893e+04    4.00352e+05   -2.33477e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66736e+04   -2.44926e+06    4.77815e+05   -1.97144e+06    2.26685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09776e+02   -2.06605e+02   -7.00227e+01    5.66282e-06


DD  step 214694999 load imb.: force 13.3%  pme mesh/force 0.727
           Step           Time
      214695000   429390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05241e+03    1.94453e+04    1.28398e+04    1.12346e+03   -2.90903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88721e+03    9.23208e+04    3.97799e+05   -2.33800e+04   -2.97290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67144e+04   -2.44601e+06    4.78867e+05   -1.96714e+06    2.26691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10458e+02   -2.07176e+02   -5.84249e+01    5.65197e-06


DD  step 214699999 load imb.: force 11.5%  pme mesh/force 0.704
           Step           Time
      214700000   429400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98604e+03    1.97815e+04    1.29475e+04    1.18477e+03   -2.97293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86348e+03    9.20453e+04    4.00826e+05   -2.33651e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65033e+04   -2.44773e+06    4.80426e+05   -1.96731e+06    2.26697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11468e+02   -2.06913e+02   -3.29983e+01    5.49119e-06


DD  step 214704999 load imb.: force 12.4%  pme mesh/force 0.687
           Step           Time
      214705000   429410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31326e+03    1.92201e+04    1.29371e+04    1.14285e+03   -3.00121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89523e+03    9.28919e+04    4.02524e+05   -2.33570e+04   -2.97959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65892e+04   -2.44744e+06    4.78968e+05   -1.96847e+06    2.26703e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10524e+02   -2.06769e+02    9.30676e+00    5.69258e-06


DD  step 214709999 load imb.: force 13.8%  pme mesh/force 0.740
           Step           Time
      214710000   429420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79513e+03    1.98172e+04    1.27685e+04    1.19947e+03   -3.03696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78516e+03    9.24599e+04    3.99274e+05   -2.33731e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66474e+04   -2.44616e+06    4.77217e+05   -1.96894e+06    2.26709e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09388e+02   -2.07055e+02   -5.20029e+01    5.62089e-06


DD  step 214714999 load imb.: force 12.7%  pme mesh/force 0.674
           Step           Time
      214715000   429430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19396e+03    1.90231e+04    1.30988e+04    1.22495e+03   -2.95087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92840e+03    9.25823e+04    3.99417e+05   -2.33913e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63897e+04   -2.44779e+06    4.79297e+05   -1.96850e+06    2.26714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.07378e+02   -1.59064e+01    5.53995e-06


DD  step 214719999 load imb.: force 11.8%  pme mesh/force 0.692
           Step           Time
      214720000   429440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21081e+03    1.91332e+04    1.30550e+04    1.18391e+03   -3.01209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90671e+03    9.26434e+04    3.98110e+05   -2.33799e+04   -2.97321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67641e+04   -2.44560e+06    4.79458e+05   -1.96614e+06    2.26720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10841e+02   -2.07176e+02   -6.86923e+01    5.56618e-06


DD  step 214724999 load imb.: force 10.7%  pme mesh/force 0.671
           Step           Time
      214725000   429450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07037e+03    1.97011e+04    1.28082e+04    1.18071e+03   -2.97279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74462e+03    9.22997e+04    4.01359e+05   -2.33615e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66542e+04   -2.44594e+06    4.79097e+05   -1.96684e+06    2.26726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10607e+02   -2.06849e+02    1.66434e+01    5.61298e-06


DD  step 214729999 load imb.: force 13.1%  pme mesh/force 0.683
           Step           Time
      214730000   429460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93382e+03    1.96984e+04    1.28776e+04    1.06741e+03   -3.00747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86770e+03    9.28605e+04    4.01208e+05   -2.33771e+04   -2.97378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65664e+04   -2.44308e+06    4.81319e+05   -1.96176e+06    2.26732e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12048e+02   -2.07125e+02    9.68420e+01    5.67350e-06


DD  step 214734999 load imb.: force 12.0%  pme mesh/force 0.695
           Step           Time
      214735000   429470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76152e+03    1.91889e+04    1.31587e+04    1.20996e+03   -2.98895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94203e+03    9.30919e+04    4.02455e+05   -2.33729e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67236e+04   -2.44703e+06    4.80030e+05   -1.96700e+06    2.26738e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11212e+02   -2.07051e+02    7.58967e+01    5.44759e-06


DD  step 214739999 load imb.: force 11.5%  pme mesh/force 0.715
           Step           Time
      214740000   429480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15362e+03    1.98275e+04    1.29620e+04    1.13136e+03   -3.09611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90686e+03    9.23990e+04    3.99134e+05   -2.33414e+04   -2.97114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66150e+04   -2.44245e+06    4.81058e+05   -1.96139e+06    2.26744e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11879e+02   -2.06494e+02    1.75282e+01    5.69474e-06


DD  step 214744999 load imb.: force 12.3%  pme mesh/force 0.702
           Step           Time
      214745000   429490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03680e+03    1.95105e+04    1.30776e+04    1.22095e+03   -3.04789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87295e+03    9.28573e+04    4.01057e+05   -2.33873e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64904e+04   -2.44832e+06    4.81866e+05   -1.96645e+06    2.26750e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12402e+02   -2.07306e+02   -4.84877e+00    5.73478e-06


DD  step 214749999 load imb.: force 13.0%  pme mesh/force 0.724
           Step           Time
      214750000   429500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13239e+03    1.91547e+04    1.30616e+04    1.20498e+03   -3.03336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83605e+03    9.22329e+04    4.03596e+05   -2.33893e+04   -2.98131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67625e+04   -2.44875e+06    4.79344e+05   -1.96941e+06    2.26756e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10767e+02   -2.07342e+02    5.33434e+01    5.72836e-06


DD  step 214754999 load imb.: force 11.7%  pme mesh/force 0.685
           Step           Time
      214755000   429510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14187e+03    1.94233e+04    1.30125e+04    1.14279e+03   -3.01386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75895e+03    9.27607e+04    3.97652e+05   -2.33212e+04   -2.97435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64904e+04   -2.44730e+06    4.80004e+05   -1.96730e+06    2.26762e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11195e+02   -2.06137e+02   -9.78384e+01    5.65524e-06


DD  step 214759999 load imb.: force 11.8%  pme mesh/force 0.705
           Step           Time
      214760000   429520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93005e+03    1.90472e+04    1.32109e+04    1.14541e+03   -3.06250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83314e+03    9.29220e+04    3.98332e+05   -2.34135e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65663e+04   -2.44874e+06    4.79942e+05   -1.96879e+06    2.26767e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.07770e+02   -6.68804e+01    5.54330e-06


DD  step 214764999 load imb.: force 12.7%  pme mesh/force 0.689
           Step           Time
      214765000   429530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95896e+03    1.94599e+04    1.28615e+04    1.24092e+03   -2.79765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90738e+03    9.21012e+04    4.00740e+05   -2.34101e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63205e+04   -2.44897e+06    4.80196e+05   -1.96878e+06    2.26773e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.07710e+02    5.39145e+00    5.65775e-06


DD  step 214769999 load imb.: force 12.4%  pme mesh/force 0.707
           Step           Time
      214770000   429540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98257e+03    1.93173e+04    1.29443e+04    1.23149e+03   -2.96781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94481e+03    9.28663e+04    3.99883e+05   -2.34280e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64518e+04   -2.44734e+06    4.81068e+05   -1.96628e+06    2.26778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11885e+02   -2.08027e+02   -1.86055e+01    5.67077e-06


DD  step 214774999 load imb.: force 13.6%  pme mesh/force 0.733
           Step           Time
      214775000   429550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84771e+03    1.88002e+04    1.32104e+04    1.14338e+03   -3.03689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98586e+03    9.27753e+04    4.04858e+05   -2.33471e+04   -2.98365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64918e+04   -2.44992e+06    4.78600e+05   -1.97132e+06    2.26785e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10285e+02   -2.06595e+02    9.05272e+01    5.61640e-06


DD  step 214779999 load imb.: force 13.0%  pme mesh/force 0.717
           Step           Time
      214780000   429560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76743e+03    1.93476e+04    1.32485e+04    1.13241e+03   -3.06499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86498e+03    9.26749e+04    4.00906e+05   -2.33862e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65957e+04   -2.44732e+06    4.79399e+05   -1.96792e+06    2.26791e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10803e+02   -2.07287e+02    1.67193e+01    5.80819e-06


DD  step 214784999 load imb.: force 10.6%  pme mesh/force 0.692
           Step           Time
      214785000   429570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98417e+03    1.96115e+04    1.29446e+04    1.23244e+03   -3.03036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79770e+03    9.30449e+04    4.01824e+05   -2.33493e+04   -2.97999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62985e+04   -2.44863e+06    4.78580e+05   -1.97005e+06    2.26797e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10272e+02   -2.06633e+02    1.49501e+01    5.54630e-06


DD  step 214789999 load imb.: force 11.4%  pme mesh/force 0.725
           Step           Time
      214790000   429580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21215e+03    1.96673e+04    1.30784e+04    1.29476e+03   -3.06464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77428e+03    9.26671e+04    4.02635e+05   -2.33732e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66558e+04   -2.44428e+06    4.81802e+05   -1.96248e+06    2.26802e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12361e+02   -2.07057e+02    1.06208e+02    5.65903e-06


DD  step 214794999 load imb.: force 11.5%  pme mesh/force 0.662
           Step           Time
      214795000   429590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99573e+03    1.92659e+04    1.29379e+04    1.13327e+03   -3.00243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73957e+03    9.35121e+04    4.01259e+05   -2.33797e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63309e+04   -2.44640e+06    4.79991e+05   -1.96641e+06    2.26808e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11187e+02   -2.07172e+02    5.48379e+01    5.72541e-06


DD  step 214799999 load imb.: force 12.1%  pme mesh/force 0.709
           Step           Time
      214800000   429600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87411e+03    1.98537e+04    1.31339e+04    1.25863e+03   -3.07634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81248e+03    9.29682e+04    3.97542e+05   -2.33733e+04   -2.97297e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66326e+04   -2.44535e+06    4.78287e+05   -1.96706e+06    2.26814e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.07058e+02   -8.22851e+01    5.69072e-06


DD  step 214804999 load imb.: force 13.0%  pme mesh/force 0.739
           Step           Time
      214805000   429610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97831e+03    1.95660e+04    1.31057e+04    1.20433e+03   -3.06408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73519e+03    9.27524e+04    4.00604e+05   -2.33678e+04   -2.97848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65098e+04   -2.44845e+06    4.78714e+05   -1.96974e+06    2.26820e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10359e+02   -2.06960e+02    1.91113e+01    5.66987e-06


DD  step 214809999 load imb.: force 11.9%  pme mesh/force 0.681
           Step           Time
      214810000   429620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10470e+03    1.95343e+04    1.30894e+04    1.17289e+03   -3.16371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84591e+03    9.27232e+04    3.99589e+05   -2.33750e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64940e+04   -2.44614e+06    4.80538e+05   -1.96560e+06    2.26826e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.07089e+02   -2.74932e+01    5.59250e-06


DD  step 214814999 load imb.: force 10.4%  pme mesh/force 0.685
           Step           Time
      214815000   429630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86761e+03    1.93116e+04    1.29811e+04    1.14567e+03   -3.04110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89074e+03    9.39533e+04    3.98273e+05   -2.33541e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64468e+04   -2.44590e+06    4.78797e+05   -1.96711e+06    2.26831e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10413e+02   -2.06719e+02   -4.37135e+01    5.57363e-06


DD  step 214819999 load imb.: force 11.2%  pme mesh/force 0.701
           Step           Time
      214820000   429640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07425e+03    1.91231e+04    1.31109e+04    1.18445e+03   -3.09136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78994e+03    9.34202e+04    4.00678e+05   -2.33171e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65251e+04   -2.44815e+06    4.78137e+05   -1.97002e+06    2.26837e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09985e+02   -2.06065e+02   -1.88296e+01    5.53456e-06


DD  step 214824999 load imb.: force 11.7%  pme mesh/force 0.685
           Step           Time
      214825000   429650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90655e+03    1.91347e+04    1.31167e+04    1.18147e+03   -3.17261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86050e+03    9.35878e+04    4.03444e+05   -2.33810e+04   -2.98314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62975e+04   -2.45017e+06    4.81226e+05   -1.96894e+06    2.26843e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11987e+02   -2.07194e+02    1.02931e+02    5.69214e-06


DD  step 214829999 load imb.: force 10.3%  pme mesh/force 0.657
           Step           Time
      214830000   429660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21839e+03    1.95818e+04    1.31764e+04    1.26014e+03   -3.13677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75703e+03    9.27910e+04    3.98927e+05   -2.34069e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64693e+04   -2.44728e+06    4.81075e+05   -1.96621e+06    2.26849e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.07653e+02   -7.49853e+01    5.59790e-06


DD  step 214834999 load imb.: force 10.7%  pme mesh/force 0.681
           Step           Time
      214835000   429670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00566e+03    1.95442e+04    1.30260e+04    1.16956e+03   -3.13553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78703e+03    9.30748e+04    4.01537e+05   -2.33832e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63393e+04   -2.44773e+06    4.78232e+05   -1.96950e+06    2.26855e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10046e+02   -2.07234e+02   -2.98878e+01    5.67363e-06


DD  step 214839999 load imb.: force 13.4%  pme mesh/force 0.681
           Step           Time
      214840000   429680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13287e+03    1.93201e+04    1.32535e+04    1.16254e+03   -3.02325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84074e+03    9.35758e+04    3.97301e+05   -2.33562e+04   -2.97364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65793e+04   -2.44585e+06    4.78225e+05   -1.96763e+06    2.26861e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10042e+02   -2.06755e+02   -1.18199e+02    5.53265e-06


DD  step 214844999 load imb.: force 13.5%  pme mesh/force 0.721
           Step           Time
      214845000   429690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86399e+03    1.95939e+04    1.30508e+04    1.15284e+03   -3.09167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81701e+03    9.34580e+04    3.98335e+05   -2.33731e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65115e+04   -2.44802e+06    4.79978e+05   -1.96804e+06    2.26866e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.07055e+02   -5.48065e+01    5.57783e-06


DD  step 214849999 load imb.: force 12.6%  pme mesh/force 0.726
           Step           Time
      214850000   429700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12410e+03    1.91078e+04    1.30614e+04    1.13563e+03   -3.04528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82021e+03    9.34528e+04    3.97055e+05   -2.33492e+04   -2.97321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64423e+04   -2.44641e+06    4.79238e+05   -1.96717e+06    2.26872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10698e+02   -2.06632e+02   -9.65137e+01    5.67690e-06


DD  step 214854999 load imb.: force 13.2%  pme mesh/force 0.685
           Step           Time
      214855000   429710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77757e+03    1.91828e+04    1.29835e+04    1.21083e+03   -3.04586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93750e+03    9.34133e+04    4.02270e+05   -2.33664e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64568e+04   -2.44869e+06    4.81275e+05   -1.96742e+06    2.26877e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12019e+02   -2.06936e+02    8.49007e+01    5.71163e-06


DD  step 214859999 load imb.: force 12.9%  pme mesh/force 0.684
           Step           Time
      214860000   429720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01822e+03    1.93131e+04    1.30995e+04    1.21986e+03   -3.07007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94642e+03    9.30044e+04    3.99793e+05   -2.33531e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64289e+04   -2.44830e+06    4.78251e+05   -1.97005e+06    2.26883e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10059e+02   -2.06701e+02   -7.05728e+01    5.58124e-06


DD  step 214864999 load imb.: force 12.5%  pme mesh/force 0.709
           Step           Time
      214865000   429730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02529e+03    1.94399e+04    1.30369e+04    1.26105e+03   -3.08380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73471e+03    9.28302e+04    4.00584e+05   -2.34040e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65539e+04   -2.44731e+06    4.80646e+05   -1.96667e+06    2.26889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.07602e+02    1.33946e+01    5.64037e-06


DD  step 214869999 load imb.: force 13.2%  pme mesh/force 0.708
           Step           Time
      214870000   429740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84554e+03    1.94421e+04    1.32400e+04    1.16629e+03   -3.14645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77076e+03    9.33818e+04    4.00064e+05   -2.34064e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64522e+04   -2.44852e+06    4.80223e+05   -1.96830e+06    2.26895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.07644e+02   -3.14294e+01    5.52410e-06


DD  step 214874999 load imb.: force 13.1%  pme mesh/force 0.712
           Step           Time
      214875000   429750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91576e+03    1.95961e+04    1.31820e+04    1.15186e+03   -3.04429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90544e+03    9.28796e+04    3.97629e+05   -2.33877e+04   -2.97327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65686e+04   -2.44588e+06    4.79856e+05   -1.96602e+06    2.26901e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11099e+02   -2.07314e+02   -4.00965e+01    5.69489e-06


DD  step 214879999 load imb.: force 13.7%  pme mesh/force 0.749
           Step           Time
      214880000   429760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10618e+03    1.92230e+04    1.34616e+04    1.23684e+03   -3.21851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85906e+03    9.33547e+04    4.01649e+05   -2.34049e+04   -2.97992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61552e+04   -2.44849e+06    4.79141e+05   -1.96935e+06    2.26907e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10635e+02   -2.07618e+02    5.16175e+01    5.58027e-06


DD  step 214884999 load imb.: force 12.6%  pme mesh/force 0.692
           Step           Time
      214885000   429770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78939e+03    1.96144e+04    1.30933e+04    1.24953e+03   -3.09654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89432e+03    9.26397e+04    3.97047e+05   -2.33526e+04   -2.96896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67308e+04   -2.44235e+06    4.79014e+05   -1.96333e+06    2.26912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.06693e+02   -6.29014e+01    5.75305e-06


DD  step 214889999 load imb.: force 13.8%  pme mesh/force 0.753
           Step           Time
      214890000   429780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94962e+03    1.92356e+04    1.31689e+04    1.22438e+03   -3.01875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86725e+03    9.26178e+04    4.02297e+05   -2.33698e+04   -2.98028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63693e+04   -2.44894e+06    4.79320e+05   -1.96962e+06    2.26918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.06996e+02    2.85231e+01    5.77438e-06


DD  step 214894999 load imb.: force 14.2%  pme mesh/force 0.689
           Step           Time
      214895000   429790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13738e+03    1.99050e+04    1.29704e+04    1.28110e+03   -3.10637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78220e+03    9.28264e+04    3.97772e+05   -2.33440e+04   -2.97249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64376e+04   -2.44482e+06    4.81511e+05   -1.96331e+06    2.26924e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12172e+02   -2.06540e+02   -1.05784e+02    5.46797e-06


DD  step 214899999 load imb.: force 13.1%  pme mesh/force 0.726
           Step           Time
      214900000   429800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98472e+03    1.92015e+04    1.32915e+04    1.17947e+03   -3.09095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86502e+03    9.23898e+04    4.01024e+05   -2.34093e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65637e+04   -2.44739e+06    4.81224e+05   -1.96617e+06    2.26930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11986e+02   -2.07695e+02    2.00266e+01    5.63066e-06


DD  step 214904999 load imb.: force 11.7%  pme mesh/force 0.710
           Step           Time
      214905000   429810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03971e+03    1.95293e+04    1.31451e+04    1.15062e+03   -2.99771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77750e+03    9.32334e+04    3.99444e+05   -2.33881e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66495e+04   -2.44698e+06    4.79014e+05   -1.96796e+06    2.26935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.07320e+02   -5.04872e+01    5.56667e-06


DD  step 214909999 load imb.: force 12.3%  pme mesh/force 0.694
           Step           Time
      214910000   429820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86792e+03    1.94004e+04    1.30157e+04    1.21675e+03   -3.07012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82890e+03    9.31074e+04    4.02429e+05   -2.34616e+04   -2.98021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64522e+04   -2.44843e+06    4.82770e+05   -1.96566e+06    2.26941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12988e+02   -2.08624e+02    9.06380e+01    5.51249e-06


DD  step 214914999 load imb.: force 12.0%  pme mesh/force 0.670
           Step           Time
      214915000   429830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91384e+03    1.96699e+04    1.30813e+04    1.23585e+03   -3.08441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78442e+03    9.27815e+04    4.00914e+05   -2.34573e+04   -2.97860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63962e+04   -2.44837e+06    4.80208e+05   -1.96816e+06    2.26947e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.08547e+02    3.51437e+01    5.72993e-06


DD  step 214919999 load imb.: force 13.0%  pme mesh/force 0.708
           Step           Time
      214920000   429840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09118e+03    1.93936e+04    1.32039e+04    1.24646e+03   -3.13274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76952e+03    9.29940e+04    4.00095e+05   -2.33382e+04   -2.97482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66346e+04   -2.44486e+06    4.79827e+05   -1.96504e+06    2.26953e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11080e+02   -2.06437e+02   -1.55559e+01    5.62159e-06


DD  step 214924999 load imb.: force 12.0%  pme mesh/force 0.704
           Step           Time
      214925000   429850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01483e+03    1.95506e+04    1.32841e+04    1.13390e+03   -3.12532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82625e+03    9.29276e+04    4.02864e+05   -2.34093e+04   -2.97994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66508e+04   -2.44722e+06    4.78888e+05   -1.96833e+06    2.26959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10472e+02   -2.07696e+02    6.08036e+01    5.65560e-06


DD  step 214929999 load imb.: force 11.8%  pme mesh/force 0.705
           Step           Time
      214930000   429860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00180e+03    1.98139e+04    1.31760e+04    1.17403e+03   -3.04651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84963e+03    9.29212e+04    4.00643e+05   -2.33802e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65736e+04   -2.44578e+06    4.81581e+05   -1.96420e+06    2.26965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12217e+02   -2.07180e+02   -2.61263e+00    5.59386e-06


DD  step 214934999 load imb.: force 13.1%  pme mesh/force 0.724
           Step           Time
      214935000   429870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13035e+03    1.95958e+04    1.29727e+04    1.14092e+03   -3.02947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75577e+03    9.29206e+04    3.97114e+05   -2.33507e+04   -2.97235e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65728e+04   -2.44553e+06    4.81546e+05   -1.96399e+06    2.26970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12195e+02   -2.06659e+02   -1.33579e+02    5.72899e-06


DD  step 214939999 load imb.: force 12.4%  pme mesh/force 0.684
           Step           Time
      214940000   429880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21886e+03    1.96821e+04    1.32884e+04    1.15053e+03   -3.17295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87355e+03    9.32030e+04    3.99356e+05   -2.33821e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65530e+04   -2.44449e+06    4.78020e+05   -1.96647e+06    2.26976e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09909e+02   -2.07213e+02    4.77674e+01    5.60587e-06


DD  step 214944999 load imb.: force 11.2%  pme mesh/force 0.701
           Step           Time
      214945000   429890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07822e+03    1.93306e+04    1.32108e+04    1.21101e+03   -3.13830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90729e+03    9.30967e+04    4.01001e+05   -2.33641e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65692e+04   -2.44635e+06    4.79907e+05   -1.96645e+06    2.26982e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.06895e+02    1.55744e+01    5.66064e-06


DD  step 214949999 load imb.: force 12.6%  pme mesh/force 0.726
           Step           Time
      214950000   429900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04480e+03    1.96597e+04    1.32650e+04    1.19686e+03   -3.06032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83665e+03    9.30646e+04    3.97354e+05   -2.33783e+04   -2.97258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63215e+04   -2.44527e+06    4.79656e+05   -1.96562e+06    2.26988e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10969e+02   -2.07147e+02   -8.24446e+01    5.71453e-06


DD  step 214954999 load imb.: force 11.7%  pme mesh/force 0.687
           Step           Time
      214955000   429910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96204e+03    1.95025e+04    1.29377e+04    1.09129e+03   -3.02502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85395e+03    9.27609e+04    4.00958e+05   -2.34200e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66363e+04   -2.44951e+06    4.79349e+05   -1.97016e+06    2.26994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10771e+02   -2.07886e+02    3.16042e+01    5.55006e-06


DD  step 214959999 load imb.: force 15.9%  pme mesh/force 0.737
           Step           Time
      214960000   429920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02813e+03    1.93291e+04    1.30941e+04    1.23742e+03   -3.02643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89171e+03    9.35122e+04    4.00190e+05   -2.34169e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65946e+04   -2.44769e+06    4.81226e+05   -1.96647e+06    2.27000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11988e+02   -2.07830e+02    3.95961e+01    5.59248e-06


DD  step 214964999 load imb.: force 11.4%  pme mesh/force 0.697
           Step           Time
      214965000   429930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07360e+03    1.95197e+04    1.29831e+04    1.26678e+03   -3.06925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82998e+03    9.25566e+04    3.97755e+05   -2.33422e+04   -2.97131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65179e+04   -2.44422e+06    4.78946e+05   -1.96527e+06    2.27005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10509e+02   -2.06509e+02   -9.71379e+01    5.47973e-06


DD  step 214969999 load imb.: force 12.8%  pme mesh/force 0.702
           Step           Time
      214970000   429940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76815e+03    1.95703e+04    1.30166e+04    1.23093e+03   -3.05000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97091e+03    9.24936e+04    4.00235e+05   -2.33979e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67306e+04   -2.44715e+06    4.79463e+05   -1.96769e+06    2.27011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.07494e+02    3.00014e+00    5.41793e-06


DD  step 214974999 load imb.: force 11.5%  pme mesh/force 0.710
           Step           Time
      214975000   429950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10007e+03    1.99680e+04    1.30386e+04    1.20890e+03   -3.04954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82675e+03    9.31892e+04    4.02490e+05   -2.34104e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63368e+04   -2.44519e+06    4.82277e+05   -1.96291e+06    2.27017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12669e+02   -2.07715e+02    1.17337e+02    5.64882e-06


DD  step 214979999 load imb.: force 11.3%  pme mesh/force 0.694
           Step           Time
      214980000   429960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95916e+03    1.94270e+04    1.31634e+04    1.20285e+03   -3.08118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85739e+03    9.32505e+04    4.00149e+05   -2.33732e+04   -2.97533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65364e+04   -2.44524e+06    4.80800e+05   -1.96444e+06    2.27023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11711e+02   -2.07057e+02    1.94067e+01    5.46969e-06


DD  step 214984999 load imb.: force 12.7%  pme mesh/force 0.718
           Step           Time
      214985000   429970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81826e+03    1.94609e+04    1.31305e+04    1.11130e+03   -3.05256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81991e+03    9.29704e+04    4.02111e+05   -2.33959e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63116e+04   -2.44571e+06    4.78713e+05   -1.96700e+06    2.27028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10358e+02   -2.07458e+02    7.51666e+01    5.64761e-06


DD  step 214989999 load imb.: force 11.8%  pme mesh/force 0.701
           Step           Time
      214990000   429980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94889e+03    1.95750e+04    1.32199e+04    1.24682e+03   -3.04184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96252e+03    9.28236e+04    3.99302e+05   -2.33879e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65890e+04   -2.44559e+06    4.80642e+05   -1.96495e+06    2.27034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11609e+02   -2.07317e+02    8.97168e+00    5.46490e-06


DD  step 214994999 load imb.: force 12.5%  pme mesh/force 0.717
           Step           Time
      214995000   429990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98051e+03    1.91388e+04    1.31796e+04    1.23060e+03   -3.16939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84388e+03    9.29483e+04    3.99353e+05   -2.33913e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64044e+04   -2.44783e+06    4.81863e+05   -1.96597e+06    2.27040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12400e+02   -2.07378e+02   -2.87599e+01    5.58337e-06


DD  step 214999999 load imb.: force 12.5%  pme mesh/force 0.688
           Step           Time
      215000000   430000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88830e+03    1.93413e+04    1.31986e+04    1.21622e+03   -3.04172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80482e+03    9.28860e+04    3.99399e+05   -2.33904e+04   -2.97528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64487e+04   -2.44653e+06    4.79092e+05   -1.96744e+06    2.27045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10604e+02   -2.07360e+02   -2.06063e+01    5.39688e-06


DD  step 215004999 load imb.: force 12.6%  pme mesh/force 0.690
           Step           Time
      215005000   430010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12670e+03    1.91368e+04    1.30980e+04    1.14514e+03   -2.97967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81841e+03    9.26244e+04    4.01239e+05   -2.33883e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64335e+04   -2.44780e+06    4.80046e+05   -1.96776e+06    2.27051e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11222e+02   -2.07324e+02   -9.36063e+00    5.47169e-06


DD  step 215009999 load imb.: force 12.7%  pme mesh/force 0.721
           Step           Time
      215010000   430020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67799e+03    1.89571e+04    1.30272e+04    1.13915e+03   -2.97891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96064e+03    9.32338e+04    4.00236e+05   -2.33526e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65937e+04   -2.44882e+06    4.78886e+05   -1.96994e+06    2.27057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10470e+02   -2.06692e+02    4.88281e-01    5.47769e-06


DD  step 215014999 load imb.: force 11.6%  pme mesh/force 0.703
           Step           Time
      215015000   430030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89408e+03    1.94365e+04    1.31616e+04    1.13782e+03   -3.01405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89437e+03    9.25544e+04    3.99909e+05   -2.33850e+04   -2.97718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66615e+04   -2.44793e+06    4.82744e+05   -1.96518e+06    2.27063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12972e+02   -2.07265e+02    4.01645e+01    5.53387e-06


DD  step 215019999 load imb.: force 13.3%  pme mesh/force 0.677
           Step           Time
      215020000   430040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84428e+03    1.93142e+04    1.31530e+04    1.21568e+03   -3.19293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90754e+03    9.25431e+04    4.02149e+05   -2.33644e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65031e+04   -2.44622e+06    4.80276e+05   -1.96595e+06    2.27068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.06900e+02    7.14551e+01    5.50997e-06


DD  step 215024999 load imb.: force 12.2%  pme mesh/force 0.697
           Step           Time
      215025000   430050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71309e+03    1.93281e+04    1.27947e+04    1.21681e+03   -2.98894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94648e+03    9.27313e+04    4.03762e+05   -2.34094e+04   -2.98316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64283e+04   -2.45063e+06    4.79274e+05   -1.97136e+06    2.27074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10722e+02   -2.07697e+02    1.27559e+02    5.54174e-06


DD  step 215029999 load imb.: force 12.8%  pme mesh/force 0.731
           Step           Time
      215030000   430060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13408e+03    1.96007e+04    1.30303e+04    1.17251e+03   -3.08122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81862e+03    9.27017e+04    4.01620e+05   -2.33804e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63610e+04   -2.44795e+06    4.78287e+05   -1.96966e+06    2.27080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.07184e+02   -1.72715e+01    5.49252e-06


DD  step 215034999 load imb.: force 10.9%  pme mesh/force 0.679
           Step           Time
      215035000   430070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09888e+03    1.97858e+04    1.30834e+04    1.25696e+03   -3.01253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85240e+03    9.23851e+04    3.97285e+05   -2.33164e+04   -2.96931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67320e+04   -2.44216e+06    4.81580e+05   -1.96058e+06    2.27086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12217e+02   -2.06052e+02   -7.95188e+01    5.63152e-06

Writing checkpoint, step 215038300 at Tue Nov  7 15:46:28 2023



DD  step 215039999 load imb.: force 13.4%  pme mesh/force 0.700
           Step           Time
      215040000   430080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12481e+03    1.92082e+04    1.29700e+04    1.23121e+03   -2.97941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94882e+03    9.26565e+04    4.03270e+05   -2.33556e+04   -2.98032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61631e+04   -2.44808e+06    4.80055e+05   -1.96802e+06    2.27092e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11228e+02   -2.06745e+02    5.87709e+01    5.60386e-06


DD  step 215044999 load imb.: force 11.5%  pme mesh/force 0.682
           Step           Time
      215045000   430090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88169e+03    1.94294e+04    1.30785e+04    1.14225e+03   -3.02454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86733e+03    9.28783e+04    3.97389e+05   -2.33928e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63425e+04   -2.44865e+06    4.78385e+05   -1.97026e+06    2.27098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10145e+02   -2.07403e+02   -7.24144e+01    5.51147e-06


DD  step 215049999 load imb.: force 13.9%  pme mesh/force 0.715
           Step           Time
      215050000   430100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03512e+03    1.91646e+04    1.31802e+04    1.11970e+03   -3.06627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88870e+03    9.31529e+04    4.02768e+05   -2.33846e+04   -2.98149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64728e+04   -2.44916e+06    4.78321e+05   -1.97084e+06    2.27104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10104e+02   -2.07258e+02    6.42681e+01    5.52010e-06


DD  step 215054999 load imb.: force 11.1%  pme mesh/force 0.677
           Step           Time
      215055000   430110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02686e+03    1.92272e+04    1.31206e+04    1.20286e+03   -3.12021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74338e+03    9.33152e+04    4.00952e+05   -2.33550e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66573e+04   -2.44704e+06    4.80563e+05   -1.96648e+06    2.27109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.06735e+02   -4.21309e+01    5.67898e-06


DD  step 215059999 load imb.: force 11.1%  pme mesh/force 0.697
           Step           Time
      215060000   430120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02016e+03    1.97423e+04    1.30399e+04    1.19289e+03   -3.13723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85057e+03    9.29789e+04    4.01583e+05   -2.34044e+04   -2.97910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65435e+04   -2.44769e+06    4.78652e+05   -1.96904e+06    2.27116e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10319e+02   -2.07608e+02    3.99334e+01    5.44834e-06


DD  step 215064999 load imb.: force 11.8%  pme mesh/force 0.719
           Step           Time
      215065000   430130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12230e+03    1.96660e+04    1.30756e+04    1.22610e+03   -3.13906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89289e+03    9.27396e+04    4.03092e+05   -2.34179e+04   -2.98121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63423e+04   -2.44861e+06    4.81772e+05   -1.96683e+06    2.27121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12341e+02   -2.07848e+02    7.76809e+01    5.68905e-06


DD  step 215069999 load imb.: force 11.8%  pme mesh/force 0.699
           Step           Time
      215070000   430140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85971e+03    1.89764e+04    1.31423e+04    1.19257e+03   -3.06394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78563e+03    9.36017e+04    4.01390e+05   -2.33579e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64978e+04   -2.44888e+06    4.79558e+05   -1.96932e+06    2.27127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10906e+02   -2.06786e+02   -1.46980e+01    5.77661e-06


DD  step 215074999 load imb.: force 11.4%  pme mesh/force 0.735
           Step           Time
      215075000   430150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73527e+03    1.89819e+04    1.29784e+04    1.29444e+03   -3.11081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96250e+03    9.36249e+04    4.02210e+05   -2.33981e+04   -2.98132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66304e+04   -2.44941e+06    4.78352e+05   -1.97106e+06    2.27133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10124e+02   -2.07497e+02    2.13481e+00    5.74979e-06


DD  step 215079999 load imb.: force 11.1%  pme mesh/force 0.697
           Step           Time
      215080000   430160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15112e+03    1.93358e+04    1.29216e+04    1.20074e+03   -3.03323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85073e+03    9.31974e+04    4.01073e+05   -2.33523e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64183e+04   -2.44599e+06    4.80873e+05   -1.96512e+06    2.27138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11759e+02   -2.06686e+02   -1.55657e+01    5.72624e-06


DD  step 215084999 load imb.: force 14.8%  pme mesh/force 0.713
           Step           Time
      215085000   430170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09442e+03    1.97446e+04    1.27360e+04    1.16975e+03   -3.08000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73936e+03    9.30775e+04    4.03902e+05   -2.33832e+04   -2.98026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66806e+04   -2.44658e+06    4.80442e+05   -1.96614e+06    2.27144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11479e+02   -2.07233e+02    9.54604e+01    5.64195e-06


DD  step 215089999 load imb.: force 13.6%  pme mesh/force 0.730
           Step           Time
      215090000   430180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93951e+03    1.94181e+04    1.29076e+04    1.13004e+03   -3.07190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77034e+03    9.31634e+04    4.00632e+05   -2.33853e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64312e+04   -2.44948e+06    4.79848e+05   -1.96963e+06    2.27150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11094e+02   -2.07271e+02   -9.60674e+00    5.69213e-06


DD  step 215094999 load imb.: force 10.6%  pme mesh/force 0.695
           Step           Time
      215095000   430190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07472e+03    1.92084e+04    1.31599e+04    1.17232e+03   -3.01548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79375e+03    9.33957e+04    4.01012e+05   -2.34142e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64457e+04   -2.44553e+06    4.78755e+05   -1.96677e+06    2.27156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10385e+02   -2.07782e+02    4.81483e+01    5.44524e-06


DD  step 215099999 load imb.: force 11.7%  pme mesh/force 0.690
           Step           Time
      215100000   430200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86661e+03    1.90150e+04    1.29743e+04    1.23257e+03   -3.08231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87770e+03    9.36330e+04    4.01010e+05   -2.34375e+04   -2.97928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62932e+04   -2.44890e+06    4.79649e+05   -1.96925e+06    2.27161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10965e+02   -2.08196e+02    2.23048e+01    5.43393e-06


DD  step 215104999 load imb.: force 14.7%  pme mesh/force 0.767
           Step           Time
      215105000   430210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73065e+03    1.96947e+04    1.29235e+04    1.11301e+03   -3.07710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79642e+03    9.34135e+04    4.02233e+05   -2.34092e+04   -2.98128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65651e+04   -2.44930e+06    4.78235e+05   -1.97106e+06    2.27168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10048e+02   -2.07695e+02    2.51081e+01    5.68832e-06


DD  step 215109999 load imb.: force 12.0%  pme mesh/force 0.700
           Step           Time
      215110000   430220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04234e+03    1.89598e+04    1.29162e+04    1.13949e+03   -3.01236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84336e+03    9.37083e+04    3.98838e+05   -2.33816e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63946e+04   -2.44573e+06    4.80428e+05   -1.96531e+06    2.27173e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11470e+02   -2.07205e+02   -8.97556e+00    5.64894e-06


DD  step 215114999 load imb.: force 13.8%  pme mesh/force 0.733
           Step           Time
      215115000   430230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15412e+03    1.93334e+04    1.31788e+04    1.13046e+03   -2.98012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74535e+03    9.28769e+04    4.03023e+05   -2.33766e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63018e+04   -2.44833e+06    4.79596e+05   -1.96873e+06    2.27179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07117e+02    2.03020e+01    5.75519e-06


DD  step 215119999 load imb.: force 11.7%  pme mesh/force 0.665
           Step           Time
      215120000   430240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07254e+03    1.96134e+04    1.30689e+04    1.22163e+03   -3.10630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85553e+03    9.28032e+04    4.01738e+05   -2.33810e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66344e+04   -2.44767e+06    4.80153e+05   -1.96752e+06    2.27185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11292e+02   -2.07195e+02    4.05929e+01    5.59674e-06


DD  step 215124999 load imb.: force 11.8%  pme mesh/force 0.695
           Step           Time
      215125000   430250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95546e+03    1.99776e+04    1.31456e+04    1.21706e+03   -3.13093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89923e+03    9.26613e+04    3.99685e+05   -2.33877e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65645e+04   -2.44618e+06    4.80516e+05   -1.96566e+06    2.27191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11527e+02   -2.07313e+02   -7.77956e+00    5.60407e-06


DD  step 215129999 load imb.: force 14.3%  pme mesh/force 0.734
           Step           Time
      215130000   430260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02162e+03    1.95507e+04    1.30272e+04    1.26404e+03   -3.00360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84742e+03    9.28437e+04    4.03958e+05   -2.33582e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64948e+04   -2.44578e+06    4.78773e+05   -1.96701e+06    2.27197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10397e+02   -2.06792e+02    5.02596e+01    5.54658e-06


DD  step 215134999 load imb.: force 10.8%  pme mesh/force 0.691
           Step           Time
      215135000   430270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14750e+03    1.94259e+04    1.30145e+04    1.23181e+03   -3.10149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88286e+03    9.30859e+04    4.01666e+05   -2.33727e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65472e+04   -2.44728e+06    4.81296e+05   -1.96598e+06    2.27202e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12033e+02   -2.07048e+02    5.93186e+01    5.64985e-06


DD  step 215139999 load imb.: force 12.6%  pme mesh/force 0.693
           Step           Time
      215140000   430280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08186e+03    1.94186e+04    1.31212e+04    1.26615e+03   -3.18849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76997e+03    9.28506e+04    3.98715e+05   -2.33736e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61285e+04   -2.44988e+06    4.80632e+05   -1.96925e+06    2.27208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11603e+02   -2.07063e+02   -1.13944e+02    5.56308e-06


DD  step 215144999 load imb.: force 11.1%  pme mesh/force 0.689
           Step           Time
      215145000   430290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01295e+03    1.96318e+04    1.31409e+04    1.26978e+03   -3.10210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96531e+03    9.28976e+04    4.01571e+05   -2.33617e+04   -2.97469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65193e+04   -2.44314e+06    4.80040e+05   -1.96310e+06    2.27214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.06853e+02    7.54082e+01    5.64562e-06


DD  step 215149999 load imb.: force 11.1%  pme mesh/force 0.683
           Step           Time
      215150000   430300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22751e+03    1.90849e+04    1.30875e+04    1.20581e+03   -3.08314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94529e+03    9.28624e+04    4.01730e+05   -2.34111e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65042e+04   -2.44723e+06    4.79119e+05   -1.96811e+06    2.27220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.07728e+02    7.42140e+01    5.57670e-06


DD  step 215154999 load imb.: force 10.6%  pme mesh/force 0.701
           Step           Time
      215155000   430310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95958e+03    1.96600e+04    1.28324e+04    1.20591e+03   -3.03285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76168e+03    9.24833e+04    4.00965e+05   -2.34485e+04   -2.98046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66850e+04   -2.45039e+06    4.79216e+05   -1.97117e+06    2.27226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.08391e+02   -1.26340e+01    5.50118e-06


DD  step 215159999 load imb.: force 11.4%  pme mesh/force 0.712
           Step           Time
      215160000   430320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85350e+03    1.95301e+04    1.29735e+04    1.16024e+03   -3.02288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82676e+03    9.25374e+04    4.02606e+05   -2.34129e+04   -2.97987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65658e+04   -2.44826e+06    4.79228e+05   -1.96903e+06    2.27231e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10692e+02   -2.07759e+02    7.35781e+01    5.89008e-06


DD  step 215164999 load imb.: force 10.6%  pme mesh/force 0.716
           Step           Time
      215165000   430330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10322e+03    1.93066e+04    1.31118e+04    1.23787e+03   -3.10611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85306e+03    9.32301e+04    3.99259e+05   -2.33609e+04   -2.97593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64862e+04   -2.44681e+06    4.80845e+05   -1.96597e+06    2.27237e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11741e+02   -2.06838e+02   -5.72949e+01    5.57243e-06


DD  step 215169999 load imb.: force 12.5%  pme mesh/force 0.712
           Step           Time
      215170000   430340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91156e+03    1.94004e+04    1.29897e+04    1.15611e+03   -3.00507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83976e+03    9.32393e+04    4.00003e+05   -2.33967e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64668e+04   -2.44822e+06    4.80303e+05   -1.96792e+06    2.27243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.07473e+02    2.50807e+01    5.65832e-06


DD  step 215174999 load imb.: force 13.3%  pme mesh/force 0.723
           Step           Time
      215175000   430350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09020e+03    1.95322e+04    1.31189e+04    1.15878e+03   -3.05869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96402e+03    9.29743e+04    4.00311e+05   -2.33326e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65282e+04   -2.44550e+06    4.80149e+05   -1.96535e+06    2.27249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11289e+02   -2.06339e+02   -1.19720e+01    5.55227e-06


DD  step 215179999 load imb.: force 11.7%  pme mesh/force 0.688
           Step           Time
      215180000   430360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82050e+03    1.94081e+04    1.31966e+04    1.16643e+03   -3.14553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96742e+03    9.32535e+04    3.99190e+05   -2.33770e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64677e+04   -2.44699e+06    4.79789e+05   -1.96720e+06    2.27254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11056e+02   -2.07123e+02   -1.73044e+01    5.59260e-06


DD  step 215184999 load imb.: force 11.3%  pme mesh/force 0.705
           Step           Time
      215185000   430370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87963e+03    1.94159e+04    1.32266e+04    1.13404e+03   -3.09761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96899e+03    9.30947e+04    3.99473e+05   -2.33894e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66776e+04   -2.44614e+06    4.78234e+05   -1.96791e+06    2.27260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10047e+02   -2.07344e+02    1.51699e+01    5.36452e-06


DD  step 215189999 load imb.: force 10.8%  pme mesh/force 0.686
           Step           Time
      215190000   430380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96453e+03    1.92602e+04    1.30939e+04    1.25226e+03   -3.11489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83714e+03    9.31894e+04    4.03065e+05   -2.34268e+04   -2.98188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63357e+04   -2.44943e+06    4.81019e+05   -1.96841e+06    2.27265e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.08005e+02    8.20207e+01    5.59811e-06


DD  step 215194999 load imb.: force 11.3%  pme mesh/force 0.723
           Step           Time
      215195000   430390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97197e+03    1.92719e+04    1.32584e+04    1.22258e+03   -3.06263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89781e+03    9.34920e+04    3.99987e+05   -2.34344e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65551e+04   -2.44870e+06    4.80656e+05   -1.96805e+06    2.27271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11618e+02   -2.08140e+02    5.82733e+01    5.55710e-06


DD  step 215199999 load imb.: force 13.0%  pme mesh/force 0.684
           Step           Time
      215200000   430400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06959e+03    1.93279e+04    1.32143e+04    1.24443e+03   -3.12233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86784e+03    9.34457e+04    4.00952e+05   -2.33580e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66415e+04   -2.44378e+06    4.81200e+05   -1.96258e+06    2.27277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11971e+02   -2.06788e+02    1.57180e+01    5.46155e-06


DD  step 215204999 load imb.: force 10.9%  pme mesh/force 0.712
           Step           Time
      215205000   430410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86164e+03    1.96551e+04    1.32748e+04    1.04056e+03   -3.17289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87858e+03    9.34799e+04    4.00031e+05   -2.33983e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65985e+04   -2.44544e+06    4.77441e+05   -1.96800e+06    2.27284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09534e+02   -2.07501e+02    4.09761e+01    5.54500e-06


DD  step 215209999 load imb.: force 10.6%  pme mesh/force 0.675
           Step           Time
      215210000   430420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96441e+03    1.92216e+04    1.29846e+04    1.18198e+03   -3.02347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82423e+03    9.32166e+04    3.99045e+05   -2.33991e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64494e+04   -2.44734e+06    4.76154e+05   -1.97119e+06    2.27289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08699e+02   -2.07516e+02   -7.59977e+01    5.78153e-06


DD  step 215214999 load imb.: force 13.2%  pme mesh/force 0.732
           Step           Time
      215215000   430430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23028e+03    1.89774e+04    1.29273e+04    1.15574e+03   -3.00976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79546e+03    9.34510e+04    4.00329e+05   -2.33670e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65689e+04   -2.44746e+06    4.78033e+05   -1.96943e+06    2.27294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09918e+02   -2.06946e+02   -7.34199e+01    5.67101e-06


DD  step 215219999 load imb.: force 13.0%  pme mesh/force 0.693
           Step           Time
      215220000   430440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12263e+03    1.97931e+04    1.30134e+04    1.14750e+03   -3.04492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75087e+03    9.33565e+04    4.02049e+05   -2.33673e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66121e+04   -2.44748e+06    4.79791e+05   -1.96768e+06    2.27301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.06953e+02    1.33122e+00    5.70794e-06


DD  step 215224999 load imb.: force 11.7%  pme mesh/force 0.708
           Step           Time
      215225000   430450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87648e+03    1.95579e+04    1.31619e+04    1.25677e+03   -3.08664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80943e+03    9.32631e+04    3.99660e+05   -2.33894e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64383e+04   -2.44524e+06    4.80898e+05   -1.96434e+06    2.27306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.07343e+02    7.10097e+00    5.84829e-06


DD  step 215229999 load imb.: force 12.7%  pme mesh/force 0.727
           Step           Time
      215230000   430460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89926e+03    1.94770e+04    1.30885e+04    1.12668e+03   -3.12283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74905e+03    9.32142e+04    4.01107e+05   -2.33939e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64525e+04   -2.44784e+06    4.78586e+05   -1.96926e+06    2.27312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10276e+02   -2.07423e+02   -1.13284e+00    5.73140e-06


DD  step 215234999 load imb.: force 12.3%  pme mesh/force 0.726
           Step           Time
      215235000   430470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24094e+03    1.94524e+04    1.31220e+04    1.25853e+03   -3.15204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79860e+03    9.34747e+04    4.03828e+05   -2.33695e+04   -2.98030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66014e+04   -2.44604e+06    4.81237e+05   -1.96481e+06    2.27318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11994e+02   -2.06990e+02    7.37847e+01    5.56936e-06


DD  step 215239999 load imb.: force 10.8%  pme mesh/force 0.705
           Step           Time
      215240000   430480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80977e+03    1.92535e+04    1.31389e+04    1.20196e+03   -3.09439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90693e+03    9.37686e+04    4.00500e+05   -2.33494e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64585e+04   -2.44903e+06    4.78800e+05   -1.97023e+06    2.27323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10415e+02   -2.06635e+02   -5.83664e-01    5.74192e-06


DD  step 215244999 load imb.: force 11.3%  pme mesh/force 0.685
           Step           Time
      215245000   430490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05143e+03    1.97361e+04    1.31145e+04    1.24184e+03   -3.11269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79604e+03    9.39653e+04    4.01627e+05   -2.34176e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65782e+04   -2.44585e+06    4.80519e+05   -1.96533e+06    2.27329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11529e+02   -2.07842e+02    4.94598e+01    5.63969e-06


DD  step 215249999 load imb.: force 12.7%  pme mesh/force 0.755
           Step           Time
      215250000   430500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93367e+03    1.90632e+04    1.31173e+04    1.14781e+03   -3.08474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92315e+03    9.37482e+04    4.01508e+05   -2.33811e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64841e+04   -2.44887e+06    4.81035e+05   -1.96784e+06    2.27335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.07196e+02    2.65605e+01    5.67546e-06


DD  step 215254999 load imb.: force 10.6%  pme mesh/force 0.705
           Step           Time
      215255000   430510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04515e+03    1.93626e+04    1.30238e+04    1.15885e+03   -3.06911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89990e+03    9.40406e+04    4.01259e+05   -2.33999e+04   -2.98077e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62296e+04   -2.44922e+06    4.80341e+05   -1.96888e+06    2.27340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.07530e+02    3.18936e+01    5.58821e-06


DD  step 215259999 load imb.: force 12.1%  pme mesh/force 0.712
           Step           Time
      215260000   430520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15847e+03    1.91283e+04    1.31404e+04    1.04265e+03   -3.07591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88596e+03    9.37721e+04    4.01815e+05   -2.34121e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66298e+04   -2.44711e+06    4.77990e+05   -1.96912e+06    2.27347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09890e+02   -2.07746e+02    6.75896e+01    5.61482e-06


DD  step 215264999 load imb.: force 12.4%  pme mesh/force 0.730
           Step           Time
      215265000   430530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94831e+03    1.94383e+04    1.30693e+04    1.11639e+03   -3.07655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80975e+03    9.35155e+04    4.00099e+05   -2.33920e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65839e+04   -2.44687e+06    4.80837e+05   -1.96603e+06    2.27352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.07389e+02    6.59988e-01    5.65743e-06


DD  step 215269999 load imb.: force 12.9%  pme mesh/force 0.734
           Step           Time
      215270000   430540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98058e+03    1.92677e+04    1.32219e+04    1.18106e+03   -3.08730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85449e+03    9.33840e+04    4.01229e+05   -2.33524e+04   -2.97885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65405e+04   -2.44763e+06    4.79883e+05   -1.96775e+06    2.27358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11116e+02   -2.06689e+02   -4.15222e+01    5.59246e-06


DD  step 215274999 load imb.: force 12.6%  pme mesh/force 0.715
           Step           Time
      215275000   430550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97279e+03    1.89320e+04    1.30070e+04    1.21118e+03   -3.20740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78865e+03    9.34810e+04    3.99853e+05   -2.33809e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67296e+04   -2.44834e+06    4.78474e+05   -1.96987e+06    2.27364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10203e+02   -2.07193e+02   -8.55187e+01    5.59350e-06


DD  step 215279999 load imb.: force 12.6%  pme mesh/force 0.715
           Step           Time
      215280000   430560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87885e+03    1.98377e+04    1.31596e+04    1.14531e+03   -3.06685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84660e+03    9.30256e+04    3.98382e+05   -2.33645e+04   -2.97322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65121e+04   -2.44486e+06    4.80706e+05   -1.96416e+06    2.27370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11651e+02   -2.06903e+02   -3.11757e+01    5.54705e-06


DD  step 215284999 load imb.: force 12.4%  pme mesh/force 0.722
           Step           Time
      215285000   430570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03028e+03    1.95674e+04    1.30169e+04    1.13926e+03   -2.98260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91542e+03    9.30498e+04    4.01742e+05   -2.33683e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65753e+04   -2.44505e+06    4.78085e+05   -1.96696e+06    2.27376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09951e+02   -2.06970e+02    2.68213e+01    5.66884e-06


DD  step 215289999 load imb.: force 13.5%  pme mesh/force 0.748
           Step           Time
      215290000   430580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04754e+03    1.92781e+04    1.31030e+04    1.19877e+03   -2.95738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92230e+03    9.28448e+04    3.99876e+05   -2.33680e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64706e+04   -2.44598e+06    4.79255e+05   -1.96673e+06    2.27381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.06965e+02    1.72061e+01    5.71557e-06


DD  step 215294999 load imb.: force 15.6%  pme mesh/force 0.759
           Step           Time
      215295000   430590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94808e+03    1.93966e+04    1.32264e+04    1.22588e+03   -3.05052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99819e+03    9.32821e+04    4.01395e+05   -2.34104e+04   -2.98055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66127e+04   -2.44892e+06    4.80170e+05   -1.96875e+06    2.27387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.07715e+02    5.29812e+01    5.52089e-06


DD  step 215299999 load imb.: force 11.4%  pme mesh/force 0.706
           Step           Time
      215300000   430600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89240e+03    1.96196e+04    1.31137e+04    1.20932e+03   -3.07377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81521e+03    9.31320e+04    3.99251e+05   -2.33976e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65879e+04   -2.44634e+06    4.80728e+05   -1.96561e+06    2.27393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11665e+02   -2.07488e+02    7.36275e+00    5.58265e-06


DD  step 215304999 load imb.: force 11.4%  pme mesh/force 0.714
           Step           Time
      215305000   430610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95014e+03    1.94166e+04    1.31720e+04    1.24379e+03   -3.23417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81047e+03    9.28608e+04    4.03580e+05   -2.34086e+04   -2.98256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62666e+04   -2.44990e+06    4.78388e+05   -1.97152e+06    2.27399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10147e+02   -2.07684e+02    9.44766e+01    5.61134e-06


DD  step 215309999 load imb.: force 11.3%  pme mesh/force 0.690
           Step           Time
      215310000   430620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80990e+03    1.91286e+04    1.30314e+04    1.10353e+03   -3.16161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94162e+03    9.34335e+04    3.99108e+05   -2.34203e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65138e+04   -2.44735e+06    4.78148e+05   -1.96920e+06    2.27404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09992e+02   -2.07891e+02    2.20485e+01    5.68638e-06


DD  step 215314999 load imb.: force 10.5%  pme mesh/force 0.707
           Step           Time
      215315000   430630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05169e+03    1.91227e+04    1.30147e+04    1.24974e+03   -3.16448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96430e+03    9.37245e+04    3.99619e+05   -2.33409e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65478e+04   -2.44491e+06    4.78346e+05   -1.96657e+06    2.27410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10120e+02   -2.06485e+02   -2.15927e+01    5.63249e-06


DD  step 215319999 load imb.: force 13.9%  pme mesh/force 0.723
           Step           Time
      215320000   430640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07921e+03    1.93796e+04    1.31266e+04    1.28453e+03   -2.99867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79669e+03    9.26952e+04    3.98683e+05   -2.33681e+04   -2.97424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64744e+04   -2.44609e+06    4.80067e+05   -1.96602e+06    2.27415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11236e+02   -2.06966e+02   -3.57120e+01    5.58031e-06


DD  step 215324999 load imb.: force 11.3%  pme mesh/force 0.711
           Step           Time
      215325000   430650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18674e+03    1.95146e+04    1.29727e+04    1.20280e+03   -3.05592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76771e+03    9.33456e+04    4.00519e+05   -2.34022e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64085e+04   -2.44696e+06    4.78681e+05   -1.96828e+06    2.27421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.07570e+02   -3.05162e+01    5.73895e-06


DD  step 215329999 load imb.: force 14.2%  pme mesh/force 0.741
           Step           Time
      215330000   430660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15999e+03    1.95695e+04    1.28812e+04    1.12295e+03   -3.06357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76489e+03    9.32035e+04    4.02139e+05   -2.33815e+04   -2.97950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64871e+04   -2.44761e+06    4.79278e+05   -1.96834e+06    2.27427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10725e+02   -2.07203e+02   -3.51334e+00    5.55402e-06


DD  step 215334999 load imb.: force 12.0%  pme mesh/force 0.698
           Step           Time
      215335000   430670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85998e+03    1.90556e+04    1.31558e+04    1.12621e+03   -3.11503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90480e+03    9.37744e+04    4.01420e+05   -2.34005e+04   -2.98133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62977e+04   -2.45026e+06    4.78734e+05   -1.97152e+06    2.27433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.07540e+02    2.82936e+01    5.47186e-06


DD  step 215339999 load imb.: force 13.1%  pme mesh/force 0.749
           Step           Time
      215340000   430680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10508e+03    1.94028e+04    1.30201e+04    1.20011e+03   -3.04478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73170e+03    9.32154e+04    3.99449e+05   -2.33599e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64055e+04   -2.44714e+06    4.81684e+05   -1.96546e+06    2.27438e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12284e+02   -2.06821e+02   -8.07401e+01    5.69867e-06


DD  step 215344999 load imb.: force 12.4%  pme mesh/force 0.717
           Step           Time
      215345000   430690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93804e+03    1.94167e+04    1.30116e+04    1.16971e+03   -3.19844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88557e+03    9.33853e+04    3.99418e+05   -2.34038e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66110e+04   -2.44764e+06    4.79335e+05   -1.96831e+06    2.27444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.07599e+02   -3.03515e+01    5.55735e-06


DD  step 215349999 load imb.: force 11.6%  pme mesh/force 0.701
           Step           Time
      215350000   430700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06399e+03    1.94758e+04    1.32774e+04    1.24682e+03   -3.18644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00017e+03    9.31833e+04    4.01813e+05   -2.34002e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64337e+04   -2.44704e+06    4.79717e+05   -1.96733e+06    2.27450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.07535e+02    4.80162e+01    5.75823e-06


DD  step 215354999 load imb.: force 13.1%  pme mesh/force 0.711
           Step           Time
      215355000   430710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71265e+03    1.96686e+04    1.30105e+04    1.14313e+03   -3.14595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97250e+03    9.33184e+04    4.01330e+05   -2.33581e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64926e+04   -2.44768e+06    4.79488e+05   -1.96819e+06    2.27456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.06790e+02    6.63253e+01    5.63383e-06


DD  step 215359999 load imb.: force 13.4%  pme mesh/force 0.766
           Step           Time
      215360000   430720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01857e+03    1.94185e+04    1.29747e+04    1.14958e+03   -3.08031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77062e+03    9.34426e+04    3.99760e+05   -2.34091e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64066e+04   -2.44738e+06    4.79505e+05   -1.96787e+06    2.27462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10872e+02   -2.07693e+02   -7.12404e+00    5.66705e-06


DD  step 215364999 load imb.: force 12.1%  pme mesh/force 0.713
           Step           Time
      215365000   430730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03774e+03    1.92155e+04    1.32242e+04    1.17562e+03   -3.14750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79502e+03    9.32427e+04    3.99113e+05   -2.33618e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64078e+04   -2.44717e+06    4.79298e+05   -1.96787e+06    2.27467e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.06854e+02   -8.96302e+01    5.60086e-06


DD  step 215369999 load imb.: force 13.0%  pme mesh/force 0.713
           Step           Time
      215370000   430740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81489e+03    1.90244e+04    1.32254e+04    1.10349e+03   -3.11814e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93401e+03    9.35391e+04    3.99502e+05   -2.33976e+04   -2.97842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66623e+04   -2.44913e+06    4.78950e+05   -1.97018e+06    2.27473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10512e+02   -2.07488e+02   -7.24372e+01    5.71658e-06


DD  step 215374999 load imb.: force 13.6%  pme mesh/force 0.733
           Step           Time
      215375000   430750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91870e+03    1.96659e+04    1.31171e+04    1.11757e+03   -3.17320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82593e+03    9.37634e+04    3.98838e+05   -2.34301e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64670e+04   -2.44772e+06    4.79244e+05   -1.96848e+06    2.27479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.08064e+02   -1.12634e+01    5.66556e-06


DD  step 215379999 load imb.: force 14.0%  pme mesh/force 0.761
           Step           Time
      215380000   430760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07443e+03    1.94654e+04    1.30671e+04    1.18458e+03   -3.14481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77955e+03    9.37073e+04    4.04879e+05   -2.33843e+04   -2.98309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63548e+04   -2.44811e+06    4.78089e+05   -1.97002e+06    2.27485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09953e+02   -2.07252e+02    9.35816e+01    5.68834e-06


DD  step 215384999 load imb.: force 12.5%  pme mesh/force 0.728
           Step           Time
      215385000   430770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13985e+03    1.91960e+04    1.30431e+04    1.09443e+03   -3.07871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81061e+03    9.39324e+04    4.03904e+05   -2.33335e+04   -2.98276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65139e+04   -2.44854e+06    4.79095e+05   -1.96945e+06    2.27490e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.06354e+02    5.32898e+00    5.74400e-06


DD  step 215389999 load imb.: force 13.7%  pme mesh/force 0.805
           Step           Time
      215390000   430780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03453e+03    1.91061e+04    1.29676e+04    1.19403e+03   -3.16343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87951e+03    9.30894e+04    3.99931e+05   -2.33580e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64580e+04   -2.44851e+06    4.78884e+05   -1.96963e+06    2.27496e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.06788e+02   -5.90958e+00    5.73649e-06


DD  step 215394999 load imb.: force 11.4%  pme mesh/force 0.712
           Step           Time
      215395000   430790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93003e+03    2.00341e+04    1.32371e+04    1.10915e+03   -3.07219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78674e+03    9.27563e+04    4.00580e+05   -2.34042e+04   -2.97819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66154e+04   -2.44762e+06    4.80701e+05   -1.96692e+06    2.27502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11647e+02   -2.07606e+02    6.49956e+01    5.68750e-06

Writing checkpoint, step 215395450 at Tue Nov  7 16:01:28 2023



DD  step 215399999 load imb.: force 12.8%  pme mesh/force 0.755
           Step           Time
      215400000   430800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05701e+03    1.96625e+04    1.31627e+04    1.14099e+03   -3.16645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82228e+03    9.34379e+04    4.01199e+05   -2.32994e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67274e+04   -2.44735e+06    4.81851e+05   -1.96549e+06    2.27507e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12393e+02   -2.05753e+02   -4.43705e+01    5.69889e-06


DD  step 215404999 load imb.: force 14.7%  pme mesh/force 0.762
           Step           Time
      215405000   430810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18597e+03    1.91111e+04    1.31859e+04    1.19522e+03   -3.08761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86857e+03    9.37069e+04    4.00824e+05   -2.33593e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66625e+04   -2.44465e+06    4.80116e+05   -1.96453e+06    2.27514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.06810e+02    1.89249e+01    5.78977e-06


DD  step 215409999 load imb.: force 14.0%  pme mesh/force 0.745
           Step           Time
      215410000   430820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00681e+03    1.96090e+04    1.31969e+04    1.19215e+03   -3.18988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93375e+03    9.35286e+04    3.97595e+05   -2.33982e+04   -2.97179e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63728e+04   -2.44394e+06    4.79037e+05   -1.96490e+06    2.27520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10568e+02   -2.07500e+02   -1.89877e+01    5.58763e-06


DD  step 215414999 load imb.: force 11.7%  pme mesh/force 0.730
           Step           Time
      215415000   430830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87595e+03    1.92791e+04    1.30750e+04    1.19139e+03   -3.02029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01935e+03    9.36723e+04    3.98666e+05   -2.33961e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65178e+04   -2.44682e+06    4.82337e+05   -1.96449e+06    2.27526e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12707e+02   -2.07463e+02   -1.35298e+01    5.57603e-06


DD  step 215419999 load imb.: force 12.2%  pme mesh/force 0.705
           Step           Time
      215420000   430840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09381e+03    1.91896e+04    1.30736e+04    1.15780e+03   -3.19994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83396e+03    9.36217e+04    3.99559e+05   -2.33925e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64253e+04   -2.44848e+06    4.80938e+05   -1.96754e+06    2.27531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11801e+02   -2.07399e+02   -4.80398e+01    5.78885e-06


DD  step 215424999 load imb.: force 12.6%  pme mesh/force 0.701
           Step           Time
      215425000   430850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10292e+03    1.93220e+04    1.30775e+04    1.17245e+03   -3.04656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82701e+03    9.33754e+04    3.98778e+05   -2.33725e+04   -2.97194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65989e+04   -2.44310e+06    4.82714e+05   -1.96038e+06    2.27537e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12952e+02   -2.07045e+02    1.73748e+01    5.82973e-06


DD  step 215429999 load imb.: force 14.6%  pme mesh/force 0.769
           Step           Time
      215430000   430860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05013e+03    1.95832e+04    1.33090e+04    1.17520e+03   -3.07894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82632e+03    9.28025e+04    3.99160e+05   -2.33552e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64193e+04   -2.44561e+06    4.78112e+05   -1.96749e+06    2.27543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09969e+02   -2.06739e+02   -7.30055e+01    5.65234e-06


DD  step 215434999 load imb.: force 12.3%  pme mesh/force 0.737
           Step           Time
      215435000   430870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95778e+03    1.92686e+04    1.30060e+04    1.23030e+03   -3.08177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80271e+03    9.34433e+04    3.99900e+05   -2.33859e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63589e+04   -2.44772e+06    4.77097e+05   -1.97063e+06    2.27549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09311e+02   -2.07281e+02   -3.44038e+01    5.73050e-06


DD  step 215439999 load imb.: force 14.2%  pme mesh/force 0.755
           Step           Time
      215440000   430880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95269e+03    1.93494e+04    1.29349e+04    1.14007e+03   -3.07659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88592e+03    9.28323e+04    4.01390e+05   -2.33787e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63613e+04   -2.44530e+06    4.80375e+05   -1.96492e+06    2.27554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.07154e+02    3.53385e+01    5.71291e-06


DD  step 215444999 load imb.: force 13.2%  pme mesh/force 0.743
           Step           Time
      215445000   430890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86310e+03    1.93775e+04    1.30477e+04    1.15239e+03   -3.07282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90738e+03    9.32076e+04    4.01361e+05   -2.33994e+04   -2.98095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65592e+04   -2.44995e+06    4.78730e+05   -1.97122e+06    2.27560e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10369e+02   -2.07520e+02    1.88828e+01    5.70909e-06


DD  step 215449999 load imb.: force 12.7%  pme mesh/force 0.750
           Step           Time
      215450000   430900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92242e+03    1.94770e+04    1.28629e+04    1.15474e+03   -3.00483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94777e+03    9.33916e+04    3.98980e+05   -2.33818e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64428e+04   -2.44763e+06    4.80734e+05   -1.96690e+06    2.27566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11668e+02   -2.07209e+02   -3.57465e+01    5.66256e-06


DD  step 215454999 load imb.: force 13.8%  pme mesh/force 0.729
           Step           Time
      215455000   430910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03335e+03    1.95299e+04    1.30684e+04    1.19878e+03   -3.05363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93907e+03    9.36468e+04    3.97644e+05   -2.33899e+04   -2.97296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64622e+04   -2.44488e+06    4.81753e+05   -1.96313e+06    2.27572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12329e+02   -2.07353e+02   -4.36324e+01    5.76491e-06


DD  step 215459999 load imb.: force 11.7%  pme mesh/force 0.731
           Step           Time
      215460000   430920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74953e+03    1.94197e+04    1.29889e+04    1.24131e+03   -2.97625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84368e+03    9.36290e+04    4.00497e+05   -2.33898e+04   -2.97903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64232e+04   -2.44860e+06    4.80098e+05   -1.96850e+06    2.27578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11256e+02   -2.07350e+02    1.85723e+01    5.81137e-06


DD  step 215464999 load imb.: force 14.3%  pme mesh/force 0.736
           Step           Time
      215465000   430930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06918e+03    1.99728e+04    1.29013e+04    1.12632e+03   -3.00939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89899e+03    9.28388e+04    3.98662e+05   -2.33541e+04   -2.97403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65561e+04   -2.44537e+06    4.81539e+05   -1.96383e+06    2.27583e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12190e+02   -2.06719e+02   -4.02606e+01    5.67390e-06


DD  step 215469999 load imb.: force 13.3%  pme mesh/force 0.727
           Step           Time
      215470000   430940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10431e+03    1.96219e+04    1.31160e+04    1.24309e+03   -3.06484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85546e+03    9.33523e+04    4.01611e+05   -2.33911e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66606e+04   -2.44275e+06    4.80736e+05   -1.96201e+06    2.27589e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11670e+02   -2.07374e+02    9.09722e+01    5.83918e-06


DD  step 215474999 load imb.: force 10.7%  pme mesh/force 0.706
           Step           Time
      215475000   430950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20668e+03    1.95932e+04    1.29173e+04    1.19117e+03   -3.08718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74035e+03    9.26861e+04    4.02797e+05   -2.34259e+04   -2.98157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62707e+04   -2.44968e+06    4.80421e+05   -1.96926e+06    2.27595e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.07991e+02    8.37306e+01    5.68769e-06


DD  step 215479999 load imb.: force 12.9%  pme mesh/force 0.723
           Step           Time
      215480000   430960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94126e+03    1.91703e+04    1.31262e+04    1.11127e+03   -3.07223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90813e+03    9.30852e+04    4.02594e+05   -2.33639e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65519e+04   -2.44696e+06    4.77873e+05   -1.96908e+06    2.27601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09813e+02   -2.06892e+02    4.56192e+01    5.65199e-06


DD  step 215484999 load imb.: force 11.3%  pme mesh/force 0.714
           Step           Time
      215485000   430970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87260e+03    1.96218e+04    1.30951e+04    1.13717e+03   -3.19177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94463e+03    9.27109e+04    3.98127e+05   -2.33448e+04   -2.97382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64428e+04   -2.44640e+06    4.80741e+05   -1.96566e+06    2.27607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11673e+02   -2.06554e+02   -5.28046e+01    5.68482e-06


DD  step 215489999 load imb.: force 14.0%  pme mesh/force 0.738
           Step           Time
      215490000   430980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98621e+03    1.89946e+04    1.32209e+04    1.27690e+03   -3.11373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66150e+03    9.32706e+04    4.03476e+05   -2.33786e+04   -2.98268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66237e+04   -2.44966e+06    4.78211e+05   -1.97145e+06    2.27613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10033e+02   -2.07152e+02    4.74896e+00    5.65522e-06


DD  step 215494999 load imb.: force 12.0%  pme mesh/force 0.720
           Step           Time
      215495000   430990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89440e+03    1.94195e+04    1.31748e+04    1.23171e+03   -3.07590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82565e+03    9.32955e+04    4.02180e+05   -2.34014e+04   -2.97966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65069e+04   -2.44761e+06    4.81232e+05   -1.96638e+06    2.27618e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11991e+02   -2.07557e+02    3.22179e+01    5.62695e-06


DD  step 215499999 load imb.: force 12.6%  pme mesh/force 0.745
           Step           Time
      215500000   431000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92678e+03    1.92946e+04    1.31386e+04    1.10269e+03   -3.11852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95119e+03    9.31143e+04    3.99328e+05   -2.33830e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65933e+04   -2.44672e+06    4.79859e+05   -1.96686e+06    2.27624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11101e+02   -2.07230e+02   -6.06421e+00    5.64225e-06


DD  step 215504999 load imb.: force 11.5%  pme mesh/force 0.725
           Step           Time
      215505000   431010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93366e+03    1.90499e+04    1.28507e+04    1.21327e+03   -3.13408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87261e+03    9.35923e+04    3.99198e+05   -2.33484e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66048e+04   -2.44773e+06    4.78038e+05   -1.96970e+06    2.27630e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09921e+02   -2.06617e+02   -4.79192e+01    5.58861e-06


DD  step 215509999 load imb.: force 11.1%  pme mesh/force 0.699
           Step           Time
      215510000   431020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94505e+03    1.93323e+04    1.30110e+04    1.12191e+03   -3.08252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91012e+03    9.31192e+04    3.99418e+05   -2.34134e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63746e+04   -2.44736e+06    4.77720e+05   -1.96964e+06    2.27636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09715e+02   -2.07768e+02    9.22726e+00    5.66570e-06


DD  step 215514999 load imb.: force 12.0%  pme mesh/force 0.719
           Step           Time
      215515000   431030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77382e+03    1.93931e+04    1.31251e+04    1.20346e+03   -3.17467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85905e+03    9.33166e+04    3.99486e+05   -2.33332e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65411e+04   -2.44676e+06    4.79393e+05   -1.96737e+06    2.27642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.06349e+02   -2.22843e+01    5.71355e-06


DD  step 215519999 load imb.: force 13.5%  pme mesh/force 0.734
           Step           Time
      215520000   431040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90538e+03    1.90813e+04    1.30978e+04    1.24461e+03   -3.07513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82100e+03    9.37610e+04    4.01845e+05   -2.33979e+04   -2.98182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65507e+04   -2.44999e+06    4.78526e+05   -1.97146e+06    2.27648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.07493e+02    2.26164e+01    5.63879e-06


DD  step 215524999 load imb.: force 15.5%  pme mesh/force 0.759
           Step           Time
      215525000   431050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00423e+03    1.92645e+04    1.29452e+04    1.22225e+03   -3.07665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81255e+03    9.33965e+04    4.00142e+05   -2.33362e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64333e+04   -2.44824e+06    4.79184e+05   -1.96906e+06    2.27653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10664e+02   -2.06403e+02   -7.49528e+01    5.73067e-06


DD  step 215529999 load imb.: force 10.7%  pme mesh/force 0.701
           Step           Time
      215530000   431060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07774e+03    1.94158e+04    1.30624e+04    1.22225e+03   -3.16705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90690e+03    9.37343e+04    4.02721e+05   -2.33369e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65983e+04   -2.44585e+06    4.80754e+05   -1.96510e+06    2.27660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11681e+02   -2.06415e+02    1.59870e+01    5.72237e-06


DD  step 215534999 load imb.: force 12.3%  pme mesh/force 0.728
           Step           Time
      215535000   431070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35410e+03    1.94712e+04    1.31564e+04    1.16359e+03   -3.11015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79888e+03    9.33338e+04    3.99933e+05   -2.33880e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64635e+04   -2.44465e+06    4.81817e+05   -1.96283e+06    2.27665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12370e+02   -2.07318e+02   -1.39674e+01    5.81538e-06


DD  step 215539999 load imb.: force 10.1%  pme mesh/force 0.687
           Step           Time
      215540000   431080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11358e+03    1.94562e+04    1.30449e+04    1.16702e+03   -3.16017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85658e+03    9.29668e+04    4.04888e+05   -2.33995e+04   -2.98076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66202e+04   -2.44621e+06    4.79868e+05   -1.96634e+06    2.27671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11107e+02   -2.07522e+02    1.14389e+02    5.83000e-06


DD  step 215544999 load imb.: force 11.0%  pme mesh/force 0.730
           Step           Time
      215545000   431090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95414e+03    1.96446e+04    1.30943e+04    1.20403e+03   -3.10478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80033e+03    9.28296e+04    3.99463e+05   -2.34284e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65507e+04   -2.44507e+06    4.78919e+05   -1.96615e+06    2.27677e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10492e+02   -2.08035e+02    1.28965e+01    5.62407e-06


DD  step 215549999 load imb.: force 11.4%  pme mesh/force 0.707
           Step           Time
      215550000   431100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97854e+03    1.96891e+04    1.30747e+04    1.18391e+03   -2.99895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81342e+03    9.32460e+04    4.02375e+05   -2.34003e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65373e+04   -2.44530e+06    4.79744e+05   -1.96555e+06    2.27683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11027e+02   -2.07537e+02    9.41865e+01    5.69960e-06


DD  step 215554999 load imb.: force 11.5%  pme mesh/force 0.730
           Step           Time
      215555000   431110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11981e+03    1.97662e+04    1.29558e+04    1.18076e+03   -3.10615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78145e+03    9.31580e+04    4.01304e+05   -2.33717e+04   -2.97559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65259e+04   -2.44427e+06    4.78173e+05   -1.96610e+06    2.27688e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10008e+02   -2.07030e+02    2.87258e+01    5.86673e-06


DD  step 215559999 load imb.: force 11.8%  pme mesh/force 0.710
           Step           Time
      215560000   431120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29395e+03    1.95731e+04    1.31783e+04    1.18145e+03   -3.06301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97270e+03    9.29841e+04    4.00436e+05   -2.33331e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64338e+04   -2.44500e+06    4.82475e+05   -1.96252e+06    2.27694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12797e+02   -2.06347e+02   -2.58286e+01    5.66834e-06


DD  step 215564999 load imb.: force 11.0%  pme mesh/force 0.707
           Step           Time
      215565000   431130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00722e+03    1.93972e+04    1.30485e+04    1.21507e+03   -3.14775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83220e+03    9.36538e+04    3.99962e+05   -2.33921e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64485e+04   -2.44469e+06    4.78482e+05   -1.96621e+06    2.27700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10209e+02   -2.07390e+02    1.61804e+01    5.86690e-06


DD  step 215569999 load imb.: force 12.9%  pme mesh/force 0.729
           Step           Time
      215570000   431140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14840e+03    1.90000e+04    1.30400e+04    1.19244e+03   -3.09590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85469e+03    9.35363e+04    3.98520e+05   -2.33854e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64616e+04   -2.44764e+06    4.80346e+05   -1.96730e+06    2.27706e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11417e+02   -2.07273e+02   -6.57372e+01    5.73495e-06


DD  step 215574999 load imb.: force 12.8%  pme mesh/force 0.718
           Step           Time
      215575000   431150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96008e+03    1.91886e+04    1.30459e+04    1.16241e+03   -3.05751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87443e+03    9.30526e+04    3.98520e+05   -2.33734e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65167e+04   -2.44679e+06    4.80056e+05   -1.96673e+06    2.27712e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11229e+02   -2.07060e+02   -8.04270e+01    5.84288e-06


DD  step 215579999 load imb.: force 12.3%  pme mesh/force 0.724
           Step           Time
      215580000   431160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10198e+03    1.95891e+04    1.29876e+04    1.22744e+03   -3.09886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91085e+03    9.26414e+04    3.97399e+05   -2.34259e+04   -2.97300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64924e+04   -2.44618e+06    4.79004e+05   -1.96717e+06    2.27718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10547e+02   -2.07990e+02   -2.39597e+01    5.71874e-06


DD  step 215584999 load imb.: force 11.4%  pme mesh/force 0.715
           Step           Time
      215585000   431170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07203e+03    1.97457e+04    1.31338e+04    1.13045e+03   -3.10287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75942e+03    9.29580e+04    3.96718e+05   -2.33408e+04   -2.97006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64865e+04   -2.44350e+06    4.79987e+05   -1.96351e+06    2.27724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11184e+02   -2.06483e+02   -1.06856e+02    5.84478e-06


DD  step 215589999 load imb.: force 11.7%  pme mesh/force 0.693
           Step           Time
      215590000   431180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71608e+03    1.94983e+04    1.29516e+04    1.15669e+03   -3.07517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98710e+03    9.27598e+04    3.97500e+05   -2.33825e+04   -2.97425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63080e+04   -2.44783e+06    4.79060e+05   -1.96877e+06    2.27730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.07221e+02   -3.83715e+01    5.95649e-06


DD  step 215594999 load imb.: force 12.4%  pme mesh/force 0.721
           Step           Time
      215595000   431190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03242e+03    1.91588e+04    1.29951e+04    1.16830e+03   -2.94987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82623e+03    9.32993e+04    4.00131e+05   -2.34542e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62513e+04   -2.45138e+06    4.81188e+05   -1.97019e+06    2.27735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11963e+02   -2.08492e+02   -1.58040e+01    5.76264e-06


DD  step 215599999 load imb.: force 10.5%  pme mesh/force 0.707
           Step           Time
      215600000   431200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08921e+03    1.91376e+04    1.29605e+04    1.21718e+03   -3.07446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81247e+03    9.28697e+04    4.01297e+05   -2.33784e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63901e+04   -2.44786e+06    4.79786e+05   -1.96808e+06    2.27741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11054e+02   -2.07148e+02    3.36537e+01    5.67530e-06


DD  step 215604999 load imb.: force 13.5%  pme mesh/force 0.746
           Step           Time
      215605000   431210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93980e+03    1.96354e+04    1.31657e+04    1.18817e+03   -3.11422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88347e+03    9.29959e+04    4.02365e+05   -2.33641e+04   -2.98044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64256e+04   -2.44832e+06    4.78055e+05   -1.97027e+06    2.27747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09932e+02   -2.06896e+02    3.64956e+01    5.68149e-06


DD  step 215609999 load imb.: force 11.9%  pme mesh/force 0.723
           Step           Time
      215610000   431220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81934e+03    1.93958e+04    1.29114e+04    1.27773e+03   -3.05613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99376e+03    9.27600e+04    3.99560e+05   -2.33750e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65050e+04   -2.44748e+06    4.79642e+05   -1.96784e+06    2.27753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.07089e+02   -5.31786e+01    5.70012e-06


DD  step 215614999 load imb.: force 10.8%  pme mesh/force 0.708
           Step           Time
      215615000   431230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94544e+03    1.93818e+04    1.29110e+04    1.24580e+03   -3.00317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83040e+03    9.31450e+04    4.01671e+05   -2.33441e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64755e+04   -2.44737e+06    4.78786e+05   -1.96859e+06    2.27759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10405e+02   -2.06542e+02    4.98564e+00    5.94010e-06


DD  step 215619999 load imb.: force 12.1%  pme mesh/force 0.673
           Step           Time
      215620000   431240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77273e+03    1.93302e+04    1.29601e+04    1.09876e+03   -3.07358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97492e+03    9.34321e+04    3.99410e+05   -2.34268e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63043e+04   -2.44709e+06    4.79264e+05   -1.96783e+06    2.27765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.08006e+02    5.19305e+01    5.79055e-06


DD  step 215624999 load imb.: force 10.9%  pme mesh/force 0.698
           Step           Time
      215625000   431250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94137e+03    1.92116e+04    1.28604e+04    1.15040e+03   -2.95697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89775e+03    9.33054e+04    3.99822e+05   -2.33754e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64529e+04   -2.44959e+06    4.78856e+05   -1.97074e+06    2.27770e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.07095e+02   -3.70424e+01    5.68194e-06


DD  step 215629999 load imb.: force 13.5%  pme mesh/force 0.749
           Step           Time
      215630000   431260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16601e+03    1.95231e+04    1.30907e+04    1.07318e+03   -3.17136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76225e+03    9.28680e+04    3.99786e+05   -2.33928e+04   -2.97412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63753e+04   -2.44504e+06    4.79773e+05   -1.96526e+06    2.27777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11046e+02   -2.07403e+02    1.58383e+00    5.84145e-06


DD  step 215634999 load imb.: force 12.7%  pme mesh/force 0.755
           Step           Time
      215635000   431270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18818e+03    1.94465e+04    1.28676e+04    1.15799e+03   -3.11921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72428e+03    9.34187e+04    4.00334e+05   -2.33574e+04   -2.97451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65238e+04   -2.44433e+06    4.79162e+05   -1.96516e+06    2.27782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10649e+02   -2.06778e+02   -5.72055e+01    5.72977e-06


DD  step 215639999 load imb.: force 12.1%  pme mesh/force 0.723
           Step           Time
      215640000   431280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14393e+03    1.95266e+04    1.29126e+04    1.21774e+03   -3.14987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68677e+03    9.28225e+04    4.03431e+05   -2.34092e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64428e+04   -2.44625e+06    4.80778e+05   -1.96547e+06    2.27788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11697e+02   -2.07693e+02    1.18251e+02    5.66163e-06


DD  step 215644999 load imb.: force 11.1%  pme mesh/force 0.693
           Step           Time
      215645000   431290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12744e+03    1.92559e+04    1.29094e+04    1.10077e+03   -3.05599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80714e+03    9.31609e+04    3.99482e+05   -2.33725e+04   -2.97641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66798e+04   -2.44731e+06    4.79455e+05   -1.96786e+06    2.27793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.07044e+02   -8.05050e+01    5.84408e-06


DD  step 215649999 load imb.: force 11.1%  pme mesh/force 0.727
           Step           Time
      215650000   431300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23067e+03    1.91627e+04    1.28660e+04    1.21248e+03   -3.08772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75330e+03    9.30074e+04    4.01230e+05   -2.34031e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64535e+04   -2.44747e+06    4.77581e+05   -1.96989e+06    2.27799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09624e+02   -2.07586e+02    2.50118e+01    5.87742e-06


DD  step 215654999 load imb.: force 12.6%  pme mesh/force 0.700
           Step           Time
      215655000   431310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15885e+03    1.92734e+04    1.30467e+04    1.13018e+03   -3.06471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82478e+03    9.32874e+04    4.01415e+05   -2.33964e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63835e+04   -2.44721e+06    4.78931e+05   -1.96828e+06    2.27805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.07468e+02    1.69986e+01    5.79944e-06


DD  step 215659999 load imb.: force 13.6%  pme mesh/force 0.705
           Step           Time
      215660000   431320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86792e+03    1.91881e+04    1.33212e+04    1.22842e+03   -3.05185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84318e+03    9.34132e+04    4.00954e+05   -2.33715e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63878e+04   -2.44642e+06    4.80126e+05   -1.96629e+06    2.27811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07027e+02   -9.36781e+00    5.96420e-06


DD  step 215664999 load imb.: force 12.2%  pme mesh/force 0.722
           Step           Time
      215665000   431330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19965e+03    1.94789e+04    1.29894e+04    1.22861e+03   -3.14876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77111e+03    9.31384e+04    3.99235e+05   -2.33913e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64107e+04   -2.44722e+06    4.78840e+05   -1.96838e+06    2.27817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10441e+02   -2.07378e+02   -7.12710e+01    5.74661e-06


DD  step 215669999 load imb.: force 12.4%  pme mesh/force 0.739
           Step           Time
      215670000   431340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05953e+03    1.94918e+04    1.28564e+04    1.16116e+03   -3.04154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93533e+03    9.29208e+04    4.00463e+05   -2.33853e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65664e+04   -2.44633e+06    4.80022e+05   -1.96631e+06    2.27823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.07271e+02    6.36593e+01    5.74047e-06


DD  step 215674999 load imb.: force 12.0%  pme mesh/force 0.708
           Step           Time
      215675000   431350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04799e+03    1.93290e+04    1.30059e+04    1.17768e+03   -2.95887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87287e+03    9.31388e+04    4.02366e+05   -2.33953e+04   -2.98218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64925e+04   -2.45010e+06    4.79861e+05   -1.97024e+06    2.27830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11102e+02   -2.07448e+02    3.58369e+01    5.82833e-06


DD  step 215679999 load imb.: force 13.2%  pme mesh/force 0.753
           Step           Time
      215680000   431360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90627e+03    1.95367e+04    1.29527e+04    1.17510e+03   -3.03633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72869e+03    9.29217e+04    4.00423e+05   -2.33441e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64701e+04   -2.44864e+06    4.79467e+05   -1.96918e+06    2.27835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10847e+02   -2.06543e+02   -5.26389e+01    5.80107e-06


DD  step 215684999 load imb.: force 12.1%  pme mesh/force 0.683
           Step           Time
      215685000   431370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02821e+03    1.98250e+04    1.31801e+04    1.24786e+03   -3.04939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83767e+03    9.26122e+04    3.98505e+05   -2.34367e+04   -2.97432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64442e+04   -2.44613e+06    4.78738e+05   -1.96739e+06    2.27841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10374e+02   -2.08181e+02    2.16480e+01    5.68020e-06


DD  step 215689999 load imb.: force 12.9%  pme mesh/force 0.739
           Step           Time
      215690000   431380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20144e+03    1.95527e+04    1.31143e+04    1.21707e+03   -3.07591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83977e+03    9.31754e+04    3.99820e+05   -2.33153e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64223e+04   -2.44605e+06    4.80093e+05   -1.96596e+06    2.27846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11253e+02   -2.06032e+02   -1.11464e+02    5.91632e-06


DD  step 215694999 load imb.: force 11.1%  pme mesh/force 0.678
           Step           Time
      215695000   431390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20927e+03    1.90870e+04    1.30287e+04    1.16272e+03   -3.15155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75338e+03    9.27302e+04    3.99831e+05   -2.33240e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65211e+04   -2.44878e+06    4.78020e+05   -1.97076e+06    2.27853e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09909e+02   -2.06187e+02   -1.05057e+02    5.79749e-06


DD  step 215699999 load imb.: force 12.1%  pme mesh/force 0.715
           Step           Time
      215700000   431400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96078e+03    1.93153e+04    1.28901e+04    1.15258e+03   -2.97932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81120e+03    9.35256e+04    4.00119e+05   -2.34133e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65685e+04   -2.44687e+06    4.79772e+05   -1.96710e+06    2.27858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11045e+02   -2.07767e+02   -2.01159e+01    5.77542e-06


DD  step 215704999 load imb.: force 11.2%  pme mesh/force 0.713
           Step           Time
      215705000   431410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93760e+03    1.96532e+04    1.29859e+04    1.17616e+03   -3.06169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72746e+03    9.28301e+04    4.00915e+05   -2.33716e+04   -2.97971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63730e+04   -2.44955e+06    4.78717e+05   -1.97083e+06    2.27864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.07027e+02   -3.43114e+01    5.89612e-06


DD  step 215709999 load imb.: force 13.3%  pme mesh/force 0.760
           Step           Time
      215710000   431420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27288e+03    1.95090e+04    1.28458e+04    1.16218e+03   -2.96484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73855e+03    9.27807e+04    3.97695e+05   -2.33806e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64631e+04   -2.44706e+06    4.79712e+05   -1.96735e+06    2.27870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11006e+02   -2.07187e+02   -1.14658e+02    5.83560e-06


DD  step 215714999 load imb.: force 10.9%  pme mesh/force 0.914
           Step           Time
      215715000   431430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06992e+03    1.92726e+04    1.29887e+04    1.10494e+03   -3.01953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87145e+03    9.31964e+04    3.96315e+05   -2.33718e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63764e+04   -2.44798e+06    4.80169e+05   -1.96781e+06    2.27876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11302e+02   -2.07031e+02   -1.17189e+02    5.99583e-06


DD  step 215719999 load imb.: force 11.1%  pme mesh/force 0.691
           Step           Time
      215720000   431440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05490e+03    1.91344e+04    1.29127e+04    1.16330e+03   -3.08520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90793e+03    9.35030e+04    4.01691e+05   -2.34497e+04   -2.97858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65448e+04   -2.44721e+06    4.78220e+05   -1.96899e+06    2.27882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10038e+02   -2.08413e+02    9.18137e+01    5.69956e-06


DD  step 215724999 load imb.: force 11.6%  pme mesh/force 0.729
           Step           Time
      215725000   431450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98151e+03    1.97404e+04    1.31628e+04    1.18492e+03   -3.15136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80138e+03    9.28483e+04    4.02060e+05   -2.33719e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63260e+04   -2.44611e+06    4.78712e+05   -1.96740e+06    2.27888e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10357e+02   -2.07033e+02    3.74437e+01    5.76796e-06


DD  step 215729999 load imb.: force 12.4%  pme mesh/force 0.714
           Step           Time
      215730000   431460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04236e+03    1.94744e+04    1.30551e+04    1.10655e+03   -3.12838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91560e+03    9.31362e+04    3.98744e+05   -2.33530e+04   -2.97564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66243e+04   -2.44702e+06    4.80492e+05   -1.96653e+06    2.27893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11512e+02   -2.06700e+02   -6.90585e+01    5.90248e-06


DD  step 215734999 load imb.: force 12.2%  pme mesh/force 0.730
           Step           Time
      215735000   431470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02135e+03    1.97469e+04    1.30965e+04    1.15304e+03   -3.04215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85757e+03    9.28061e+04    4.00999e+05   -2.33237e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66771e+04   -2.44648e+06    4.79687e+05   -1.96679e+06    2.27900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.06182e+02    9.36003e+00    5.86633e-06


DD  step 215739999 load imb.: force 12.4%  pme mesh/force 0.721
           Step           Time
      215740000   431480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11801e+03    1.93863e+04    1.30488e+04    1.35965e+03   -3.08050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92455e+03    9.38642e+04    3.98931e+05   -2.33266e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66125e+04   -2.44563e+06    4.81410e+05   -1.96422e+06    2.27905e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12107e+02   -2.06233e+02   -7.40504e+01    5.83816e-06


DD  step 215744999 load imb.: force 10.5%  pme mesh/force 0.712
           Step           Time
      215745000   431490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03890e+03    1.97387e+04    1.28328e+04    1.16084e+03   -2.95755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74111e+03    9.30242e+04    4.00245e+05   -2.33987e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64721e+04   -2.44721e+06    4.80919e+05   -1.96629e+06    2.27911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11789e+02   -2.07508e+02    2.00623e+01    5.67584e-06


DD  step 215749999 load imb.: force  9.6%  pme mesh/force 0.695
           Step           Time
      215750000   431500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22434e+03    1.93992e+04    1.30569e+04    1.19449e+03   -2.98416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81972e+03    9.31396e+04    4.01816e+05   -2.33369e+04   -2.97846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67380e+04   -2.44639e+06    4.79268e+05   -1.96712e+06    2.27917e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10718e+02   -2.06415e+02    1.49540e+01    5.88717e-06

Writing checkpoint, step 215751700 at Tue Nov  7 16:16:28 2023



DD  step 215754999 load imb.: force 11.0%  pme mesh/force 0.687
           Step           Time
      215755000   431510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99563e+03    1.94936e+04    1.29524e+04    1.22674e+03   -2.98271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85874e+03    9.31154e+04    3.99479e+05   -2.33398e+04   -2.97435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66592e+04   -2.44490e+06    4.78437e+05   -1.96646e+06    2.27923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10179e+02   -2.06466e+02   -3.04140e+01    5.79468e-06


DD  step 215759999 load imb.: force 11.9%  pme mesh/force 0.703
           Step           Time
      215760000   431520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76054e+03    1.95809e+04    1.30303e+04    1.21792e+03   -3.00445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82409e+03    9.27564e+04    4.02414e+05   -2.33841e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64484e+04   -2.44613e+06    4.78593e+05   -1.96754e+06    2.27929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10280e+02   -2.07249e+02    7.90144e+01    5.94055e-06


DD  step 215764999 load imb.: force 11.2%  pme mesh/force 0.688
           Step           Time
      215765000   431530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89589e+03    1.96388e+04    1.33622e+04    1.13128e+03   -3.12755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84512e+03    9.24977e+04    4.02545e+05   -2.33956e+04   -2.97933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65606e+04   -2.44738e+06    4.77785e+05   -1.96959e+06    2.27935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09757e+02   -2.07453e+02    9.32115e+01    5.72402e-06


DD  step 215769999 load imb.: force  9.9%  pme mesh/force 0.686
           Step           Time
      215770000   431540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28811e+03    1.93951e+04    1.33689e+04    1.28188e+03   -3.13255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92656e+03    9.28370e+04    4.01210e+05   -2.33361e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65967e+04   -2.44602e+06    4.80495e+05   -1.96553e+06    2.27941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11514e+02   -2.06401e+02    3.04115e+00    5.76010e-06


DD  step 215774999 load imb.: force 13.1%  pme mesh/force 0.745
           Step           Time
      215775000   431550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15463e+03    1.94950e+04    1.31760e+04    1.15001e+03   -3.07410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83401e+03    9.25391e+04    4.00687e+05   -2.33993e+04   -2.97717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63657e+04   -2.44724e+06    4.80005e+05   -1.96724e+06    2.27946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.07519e+02   -2.34980e+01    5.78763e-06


DD  step 215779999 load imb.: force 12.2%  pme mesh/force 0.699
           Step           Time
      215780000   431560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09037e+03    1.94018e+04    1.31495e+04    1.19707e+03   -3.05696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91430e+03    9.29904e+04    4.02471e+05   -2.34487e+04   -2.98174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63485e+04   -2.44968e+06    4.78554e+05   -1.97113e+06    2.27952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10255e+02   -2.08395e+02    8.69694e+01    5.86560e-06


DD  step 215784999 load imb.: force 13.3%  pme mesh/force 0.736
           Step           Time
      215785000   431570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08007e+03    1.92267e+04    1.31873e+04    1.25513e+03   -3.03614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79548e+03    9.32997e+04    3.98936e+05   -2.33737e+04   -2.97637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62452e+04   -2.44775e+06    4.79017e+05   -1.96874e+06    2.27958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.07066e+02   -5.53526e+01    5.84961e-06


DD  step 215789999 load imb.: force 10.2%  pme mesh/force 0.688
           Step           Time
      215790000   431580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30215e+03    1.90743e+04    1.29807e+04    1.10642e+03   -3.09603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81253e+03    9.30214e+04    4.01895e+05   -2.34012e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66892e+04   -2.44744e+06    4.80249e+05   -1.96719e+06    2.27964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11354e+02   -2.07553e+02    4.75513e+01    5.84482e-06


DD  step 215794999 load imb.: force 11.1%  pme mesh/force 0.695
           Step           Time
      215795000   431590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07510e+03    1.95265e+04    1.29412e+04    1.21675e+03   -3.11715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90906e+03    9.26050e+04    4.00382e+05   -2.33972e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64836e+04   -2.44696e+06    4.80142e+05   -1.96682e+06    2.27970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11285e+02   -2.07482e+02    8.32541e+00    5.99443e-06


DD  step 215799999 load imb.: force 12.9%  pme mesh/force 0.731
           Step           Time
      215800000   431600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68792e+03    1.94731e+04    1.31550e+04    1.19973e+03   -3.11293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91243e+03    9.29639e+04    3.97606e+05   -2.33896e+04   -2.97262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64267e+04   -2.44570e+06    4.77925e+05   -1.96777e+06    2.27975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09847e+02   -2.07347e+02   -5.31750e+01    5.87000e-06


DD  step 215804999 load imb.: force 12.1%  pme mesh/force 0.727
           Step           Time
      215805000   431610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90866e+03    1.96218e+04    1.30034e+04    1.24265e+03   -3.11544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94357e+03    9.30188e+04    3.97869e+05   -2.33853e+04   -2.97178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65913e+04   -2.44409e+06    4.79825e+05   -1.96426e+06    2.27981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11079e+02   -2.07270e+02   -1.68200e+01    5.81791e-06


DD  step 215809999 load imb.: force 12.1%  pme mesh/force 0.728
           Step           Time
      215810000   431620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21143e+03    1.93602e+04    1.30292e+04    1.13375e+03   -3.03038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87706e+03    9.31256e+04    3.95565e+05   -2.33685e+04   -2.96913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66238e+04   -2.44360e+06    4.78501e+05   -1.96510e+06    2.27987e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.06973e+02   -1.03918e+02    5.78432e-06


DD  step 215814999 load imb.: force 11.9%  pme mesh/force 0.703
           Step           Time
      215815000   431630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10844e+03    1.99488e+04    1.29498e+04    1.23800e+03   -3.17202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71550e+03    9.24251e+04    3.98655e+05   -2.33813e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63640e+04   -2.44705e+06    4.77659e+05   -1.96939e+06    2.27994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09675e+02   -2.07199e+02   -9.99993e+01    5.91446e-06


DD  step 215819999 load imb.: force 10.6%  pme mesh/force 0.682
           Step           Time
      215820000   431640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67369e+03    1.94633e+04    1.31001e+04    1.13696e+03   -3.07752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82660e+03    9.29612e+04    4.04881e+05   -2.33948e+04   -2.98516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65191e+04   -2.45107e+06    4.78169e+05   -1.97290e+06    2.27999e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10005e+02   -2.07440e+02    1.09912e+02    5.72374e-06


DD  step 215824999 load imb.: force  9.9%  pme mesh/force 0.710
           Step           Time
      215825000   431650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78766e+03    1.96618e+04    1.30686e+04    1.14072e+03   -3.21647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82652e+03    9.32835e+04    3.99359e+05   -2.33666e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64736e+04   -2.44627e+06    4.78484e+05   -1.96778e+06    2.28005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10210e+02   -2.06940e+02   -3.25448e+01    5.89635e-06


DD  step 215829999 load imb.: force 12.2%  pme mesh/force 0.700
           Step           Time
      215830000   431660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88366e+03    1.96214e+04    1.30049e+04    1.21367e+03   -3.06103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83178e+03    9.32402e+04    3.99361e+05   -2.33413e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64623e+04   -2.44657e+06    4.81250e+05   -1.96532e+06    2.28011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12003e+02   -2.06492e+02   -1.38618e+01    5.88825e-06


DD  step 215834999 load imb.: force  9.9%  pme mesh/force 0.689
           Step           Time
      215835000   431670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97890e+03    1.94898e+04    1.31325e+04    1.24044e+03   -3.12424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81201e+03    9.33286e+04    3.98449e+05   -2.33970e+04   -2.97618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64496e+04   -2.44782e+06    4.78579e+05   -1.96924e+06    2.28017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10271e+02   -2.07478e+02   -4.67747e+01    5.70156e-06


DD  step 215839999 load imb.: force 10.5%  pme mesh/force 0.684
           Step           Time
      215840000   431680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95128e+03    1.92615e+04    1.30460e+04    1.17196e+03   -3.12141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81152e+03    9.26306e+04    4.01515e+05   -2.33819e+04   -2.98050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64506e+04   -2.45017e+06    4.78644e+05   -1.97152e+06    2.28022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10314e+02   -2.07210e+02    4.28706e+00    5.95363e-06


DD  step 215844999 load imb.: force 12.6%  pme mesh/force 0.690
           Step           Time
      215845000   431690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14095e+03    1.91631e+04    1.33349e+04    1.16891e+03   -3.10693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90254e+03    9.31575e+04    3.99484e+05   -2.34040e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64340e+04   -2.44550e+06    4.80607e+05   -1.96490e+06    2.28028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.07601e+02    1.24261e+01    5.67948e-06


DD  step 215849999 load imb.: force 10.6%  pme mesh/force 0.682
           Step           Time
      215850000   431700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97255e+03    1.91998e+04    1.29975e+04    1.15287e+03   -3.15561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88438e+03    9.32384e+04    3.98142e+05   -2.33589e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65065e+04   -2.44653e+06    4.79695e+05   -1.96683e+06    2.28034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.06804e+02   -3.10402e+01    5.79806e-06


DD  step 215854999 load imb.: force 12.6%  pme mesh/force 0.743
           Step           Time
      215855000   431710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98485e+03    1.94731e+04    1.29471e+04    1.11891e+03   -3.06165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84670e+03    9.30949e+04    4.00003e+05   -2.33725e+04   -2.98002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63145e+04   -2.45067e+06    4.80079e+05   -1.97059e+06    2.28039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11244e+02   -2.07044e+02   -7.58842e+01    5.67498e-06


DD  step 215859999 load imb.: force 11.0%  pme mesh/force 0.705
           Step           Time
      215860000   431720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98873e+03    1.95053e+04    1.30505e+04    1.24375e+03   -3.04919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83158e+03    9.31374e+04    4.01951e+05   -2.33589e+04   -2.97944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66798e+04   -2.44746e+06    4.80134e+05   -1.96733e+06    2.28045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11279e+02   -2.06804e+02    1.20455e+01    5.69720e-06


DD  step 215864999 load imb.: force 10.3%  pme mesh/force 0.687
           Step           Time
      215865000   431730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76691e+03    1.95932e+04    1.28845e+04    1.29575e+03   -2.96507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95761e+03    9.30231e+04    3.99375e+05   -2.33943e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65092e+04   -2.44624e+06    4.81485e+05   -1.96476e+06    2.28051e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12155e+02   -2.07430e+02    5.06073e+01    5.94666e-06


DD  step 215869999 load imb.: force 11.1%  pme mesh/force 0.728
           Step           Time
      215870000   431740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07047e+03    1.95033e+04    1.31470e+04    1.20812e+03   -3.05778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75870e+03    9.27683e+04    4.01878e+05   -2.33777e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62545e+04   -2.44810e+06    4.79041e+05   -1.96906e+06    2.28057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.07136e+02    1.32495e+01    5.83383e-06


DD  step 215874999 load imb.: force 12.3%  pme mesh/force 0.713
           Step           Time
      215875000   431750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14059e+03    1.95564e+04    1.32572e+04    1.17422e+03   -3.14226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77674e+03    9.29866e+04    4.00006e+05   -2.33652e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67519e+04   -2.44496e+06    4.80252e+05   -1.96471e+06    2.28063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11356e+02   -2.06915e+02   -8.36902e+00    5.98428e-06


DD  step 215879999 load imb.: force 12.0%  pme mesh/force 0.714
           Step           Time
      215880000   431760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93393e+03    1.96572e+04    1.29762e+04    1.27645e+03   -3.09982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89723e+03    9.28700e+04    4.00538e+05   -2.33703e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65611e+04   -2.44666e+06    4.78262e+05   -1.96840e+06    2.28069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10066e+02   -2.07005e+02    4.68385e+01    5.80470e-06


DD  step 215884999 load imb.: force 12.9%  pme mesh/force 0.734
           Step           Time
      215885000   431770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83780e+03    1.94365e+04    1.31226e+04    1.17320e+03   -3.01597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94645e+03    9.34192e+04    3.97813e+05   -2.33367e+04   -2.97291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66078e+04   -2.44490e+06    4.79797e+05   -1.96511e+06    2.28074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.06410e+02   -5.35636e+01    5.91561e-06


DD  step 215889999 load imb.: force 10.5%  pme mesh/force 0.701
           Step           Time
      215890000   431780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95266e+03    1.97194e+04    1.31214e+04    1.15583e+03   -3.14083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88403e+03    9.34182e+04    4.00683e+05   -2.33631e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65095e+04   -2.44435e+06    4.81517e+05   -1.96283e+06    2.28080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.06877e+02    3.34409e+01    5.81560e-06


DD  step 215894999 load imb.: force 12.1%  pme mesh/force 0.737
           Step           Time
      215895000   431790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07282e+03    1.96657e+04    1.31022e+04    1.19085e+03   -3.04744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89730e+03    9.27670e+04    4.02146e+05   -2.33697e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65222e+04   -2.44757e+06    4.81015e+05   -1.96655e+06    2.28086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11851e+02   -2.06994e+02    3.79234e+01    5.80750e-06


DD  step 215899999 load imb.: force 13.1%  pme mesh/force 0.709
           Step           Time
      215900000   431800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66952e+03    1.93076e+04    1.32157e+04    1.23028e+03   -3.20367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96031e+03    9.32828e+04    4.01683e+05   -2.33686e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63850e+04   -2.44761e+06    4.79598e+05   -1.96802e+06    2.28091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10932e+02   -2.06975e+02    6.56019e+01    5.88006e-06


DD  step 215904999 load imb.: force 11.1%  pme mesh/force 0.704
           Step           Time
      215905000   431810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89476e+03    1.89941e+04    1.31129e+04    1.20698e+03   -3.10169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76864e+03    9.33069e+04    3.99610e+05   -2.33960e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64482e+04   -2.44688e+06    4.79104e+05   -1.96777e+06    2.28097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.07460e+02   -2.36700e+01    5.81922e-06


DD  step 215909999 load imb.: force 11.3%  pme mesh/force 0.717
           Step           Time
      215910000   431820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96867e+03    1.93075e+04    1.30852e+04    1.24971e+03   -3.14815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78680e+03    9.33168e+04    3.98285e+05   -2.33850e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65259e+04   -2.44944e+06    4.80343e+05   -1.96910e+06    2.28102e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11415e+02   -2.07265e+02   -1.15645e+02    5.88098e-06


DD  step 215914999 load imb.: force 10.9%  pme mesh/force 0.710
           Step           Time
      215915000   431830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36577e+03    1.92447e+04    1.30237e+04    1.19545e+03   -3.06720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75324e+03    9.36230e+04    3.99741e+05   -2.33112e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66116e+04   -2.44645e+06    4.80888e+05   -1.96556e+06    2.28108e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11768e+02   -2.05961e+02   -8.62848e+01    5.80917e-06


DD  step 215919999 load imb.: force 12.2%  pme mesh/force 0.720
           Step           Time
      215920000   431840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78599e+03    1.93811e+04    1.30403e+04    1.17248e+03   -3.02998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81565e+03    9.34989e+04    4.01604e+05   -2.34550e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63914e+04   -2.44749e+06    4.80109e+05   -1.96738e+06    2.28114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11264e+02   -2.08507e+02    1.08967e+02    5.65344e-06


DD  step 215924999 load imb.: force 10.8%  pme mesh/force 0.700
           Step           Time
      215925000   431850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79128e+03    1.94376e+04    1.29504e+04    1.16695e+03   -3.02828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87424e+03    9.34377e+04    4.01904e+05   -2.33809e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66506e+04   -2.44726e+06    4.81046e+05   -1.96621e+06    2.28120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11870e+02   -2.07192e+02    7.43085e+01    5.97083e-06


DD  step 215929999 load imb.: force 12.1%  pme mesh/force 0.718
           Step           Time
      215930000   431860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11239e+03    1.95249e+04    1.28687e+04    1.22928e+03   -3.00689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86102e+03    9.26909e+04    4.01156e+05   -2.34497e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63056e+04   -2.44864e+06    4.78477e+05   -1.97016e+06    2.28126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10205e+02   -2.08412e+02    6.45142e+01    5.81116e-06


DD  step 215934999 load imb.: force 11.1%  pme mesh/force 0.718
           Step           Time
      215935000   431870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08576e+03    1.96068e+04    1.30705e+04    1.21867e+03   -3.10750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77145e+03    9.32890e+04    4.01229e+05   -2.34052e+04   -2.97946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65304e+04   -2.44817e+06    4.80217e+05   -1.96795e+06    2.28133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.07623e+02   -2.84273e+00    5.76237e-06


DD  step 215939999 load imb.: force 11.1%  pme mesh/force 0.694
           Step           Time
      215940000   431880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02412e+03    1.92661e+04    1.27837e+04    1.16359e+03   -3.06346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82768e+03    9.30043e+04    3.99706e+05   -2.33711e+04   -2.97375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64926e+04   -2.44492e+06    4.78058e+05   -1.96686e+06    2.28138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09934e+02   -2.07019e+02    1.91627e+01    5.72579e-06


DD  step 215944999 load imb.: force 12.1%  pme mesh/force 0.731
           Step           Time
      215945000   431890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90144e+03    1.93140e+04    1.31552e+04    1.29390e+03   -3.17566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76401e+03    9.34569e+04    4.03023e+05   -2.34185e+04   -2.98240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63987e+04   -2.44968e+06    4.78695e+05   -1.97099e+06    2.28144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10346e+02   -2.07859e+02    6.62571e+01    5.73360e-06


DD  step 215949999 load imb.: force 12.5%  pme mesh/force 0.718
           Step           Time
      215950000   431900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09752e+03    1.97166e+04    1.30463e+04    1.17120e+03   -3.02804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75715e+03    9.30319e+04    3.99498e+05   -2.33777e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64310e+04   -2.44612e+06    4.79662e+05   -1.96645e+06    2.28150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10974e+02   -2.07137e+02   -7.11449e+01    5.79282e-06


DD  step 215954999 load imb.: force 10.7%  pme mesh/force 0.720
           Step           Time
      215955000   431910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00061e+03    1.94991e+04    1.30674e+04    1.06094e+03   -3.04570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83235e+03    9.31763e+04    4.00408e+05   -2.34463e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65105e+04   -2.44822e+06    4.78292e+05   -1.96993e+06    2.28156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10085e+02   -2.08351e+02    6.99927e+01    5.78447e-06


DD  step 215959999 load imb.: force  9.9%  pme mesh/force 0.695
           Step           Time
      215960000   431920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05331e+03    1.92023e+04    1.30417e+04    1.23447e+03   -3.25383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83382e+03    9.29460e+04    4.01826e+05   -2.33577e+04   -2.97944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64425e+04   -2.44848e+06    4.79318e+05   -1.96916e+06    2.28162e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.06782e+02    2.39018e+01    5.76819e-06


DD  step 215964999 load imb.: force 10.0%  pme mesh/force 0.713
           Step           Time
      215965000   431930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89164e+03    1.92949e+04    1.30212e+04    1.15064e+03   -3.11151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87724e+03    9.27083e+04    4.03559e+05   -2.33459e+04   -2.97979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63898e+04   -2.44735e+06    4.77041e+05   -1.97031e+06    2.28168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09274e+02   -2.06573e+02    7.24685e+01    5.93740e-06


DD  step 215969999 load imb.: force 11.5%  pme mesh/force 0.679
           Step           Time
      215970000   431940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03159e+03    1.94463e+04    1.30136e+04    1.25463e+03   -3.03057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86746e+03    9.30121e+04    4.01330e+05   -2.33703e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67480e+04   -2.44651e+06    4.79309e+05   -1.96720e+06    2.28174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10745e+02   -2.07004e+02    4.82297e+01    5.60605e-06


DD  step 215974999 load imb.: force 10.7%  pme mesh/force 0.694
           Step           Time
      215975000   431950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19196e+03    1.96029e+04    1.29989e+04    1.09304e+03   -2.99150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90206e+03    9.32208e+04    3.98295e+05   -2.34320e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65778e+04   -2.44533e+06    4.81205e+05   -1.96412e+06    2.28180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11974e+02   -2.08098e+02   -9.59920e+00    5.87350e-06


DD  step 215979999 load imb.: force 10.0%  pme mesh/force 0.696
           Step           Time
      215980000   431960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22218e+03    1.97204e+04    1.28150e+04    1.22657e+03   -3.06424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74683e+03    9.31189e+04    3.98265e+05   -2.33743e+04   -2.97332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65704e+04   -2.44507e+06    4.80412e+05   -1.96466e+06    2.28185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11460e+02   -2.07076e+02   -3.37181e+01    5.70676e-06


DD  step 215984999 load imb.: force 10.7%  pme mesh/force 0.695
           Step           Time
      215985000   431970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85902e+03    1.94844e+04    1.31069e+04    1.18820e+03   -3.06269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79217e+03    9.31649e+04    4.04541e+05   -2.34277e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67834e+04   -2.44628e+06    4.78142e+05   -1.96814e+06    2.28192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09988e+02   -2.08022e+02    1.27222e+02    5.65847e-06


DD  step 215989999 load imb.: force 12.9%  pme mesh/force 0.694
           Step           Time
      215990000   431980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11960e+03    1.92471e+04    1.30386e+04    1.21193e+03   -2.95645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92546e+03    9.31699e+04    4.02175e+05   -2.33739e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64129e+04   -2.44752e+06    4.79285e+05   -1.96824e+06    2.28197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10729e+02   -2.07069e+02    1.63592e+01    5.78075e-06


DD  step 215994999 load imb.: force 12.3%  pme mesh/force 0.712
           Step           Time
      215995000   431990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98016e+03    1.95143e+04    1.30318e+04    1.20152e+03   -3.09093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97023e+03    9.34212e+04    3.99071e+05   -2.33300e+04   -2.97424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65539e+04   -2.44492e+06    4.78668e+05   -1.96625e+06    2.28203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10329e+02   -2.06293e+02   -2.51558e+01    5.81342e-06


DD  step 215999999 load imb.: force 13.4%  pme mesh/force 0.746
           Step           Time
      216000000   432000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06480e+03    1.91643e+04    1.29916e+04    1.16485e+03   -2.99086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90283e+03    9.36108e+04    3.97896e+05   -2.33493e+04   -2.97134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62662e+04   -2.44362e+06    4.81018e+05   -1.96260e+06    2.28208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.06633e+02   -8.63048e+01    5.77240e-06


DD  step 216004999 load imb.: force 11.1%  pme mesh/force 0.723
           Step           Time
      216005000   432010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05209e+03    1.97429e+04    1.29408e+04    1.23408e+03   -3.12321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80090e+03    9.28174e+04    3.96849e+05   -2.33398e+04   -2.97234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64603e+04   -2.44591e+06    4.81491e+05   -1.96442e+06    2.28214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12159e+02   -2.06467e+02   -1.45516e+02    5.76278e-06


DD  step 216009999 load imb.: force 12.3%  pme mesh/force 0.725
           Step           Time
      216010000   432020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86469e+03    1.94482e+04    1.29587e+04    1.23664e+03   -3.07237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78389e+03    9.29591e+04    4.00038e+05   -2.33930e+04   -2.98094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63753e+04   -2.45174e+06    4.79953e+05   -1.97179e+06    2.28220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11162e+02   -2.07406e+02   -4.04302e+01    5.94386e-06


DD  step 216014999 load imb.: force 12.4%  pme mesh/force 0.724
           Step           Time
      216015000   432030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96752e+03    1.95216e+04    1.30049e+04    1.19968e+03   -3.09881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87237e+03    9.33745e+04    4.03127e+05   -2.34204e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62761e+04   -2.44678e+06    4.79793e+05   -1.96698e+06    2.28226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11058e+02   -2.07892e+02    1.12597e+02    5.80080e-06


DD  step 216019999 load imb.: force 10.3%  pme mesh/force 0.714
           Step           Time
      216020000   432040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95708e+03    1.91894e+04    1.30673e+04    1.20156e+03   -3.16132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77558e+03    9.34802e+04    3.95638e+05   -2.33834e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65769e+04   -2.44826e+06    4.77328e+05   -1.97093e+06    2.28232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09460e+02   -2.07237e+02   -1.74945e+02    5.83987e-06


DD  step 216024999 load imb.: force  9.7%  pme mesh/force 0.665
           Step           Time
      216025000   432050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25742e+03    1.93107e+04    1.31338e+04    1.18645e+03   -3.06462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94950e+03    9.26500e+04    4.02007e+05   -2.34077e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65306e+04   -2.44752e+06    4.79939e+05   -1.96758e+06    2.28238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.07668e+02    6.36225e+01    5.84310e-06


DD  step 216029999 load imb.: force 10.7%  pme mesh/force 0.693
           Step           Time
      216030000   432060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94878e+03    1.96595e+04    1.32303e+04    1.23905e+03   -3.01377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82738e+03    9.30216e+04    4.02250e+05   -2.33729e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66312e+04   -2.44620e+06    4.78251e+05   -1.96795e+06    2.28244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10059e+02   -2.07051e+02    1.21213e+01    5.86234e-06


DD  step 216034999 load imb.: force 11.1%  pme mesh/force 0.691
           Step           Time
      216035000   432070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15550e+03    1.96369e+04    1.30966e+04    1.19022e+03   -3.13172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83781e+03    9.31340e+04    4.02582e+05   -2.34532e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64463e+04   -2.44785e+06    4.79624e+05   -1.96822e+06    2.28249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10949e+02   -2.08474e+02    1.04301e+02    5.73524e-06


DD  step 216039999 load imb.: force 13.5%  pme mesh/force 0.730
           Step           Time
      216040000   432080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03869e+03    1.96652e+04    1.29562e+04    1.25551e+03   -2.98847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78324e+03    9.27612e+04    4.03468e+05   -2.33742e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67530e+04   -2.44477e+06    4.78724e+05   -1.96604e+06    2.28255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10365e+02   -2.07074e+02    1.29412e+02    5.97841e-06


DD  step 216044999 load imb.: force 12.2%  pme mesh/force 0.694
           Step           Time
      216045000   432090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09742e+03    1.96783e+04    1.30269e+04    1.12948e+03   -3.11853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82936e+03    9.31227e+04    4.01652e+05   -2.33668e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64956e+04   -2.44827e+06    4.78260e+05   -1.97001e+06    2.28262e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10065e+02   -2.06942e+02    2.94417e+01    5.79358e-06


DD  step 216049999 load imb.: force  9.9%  pme mesh/force 0.678
           Step           Time
      216050000   432100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22788e+03    1.93683e+04    1.30420e+04    1.18238e+03   -2.96691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76691e+03    9.28672e+04    4.02164e+05   -2.34102e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64772e+04   -2.44690e+06    4.81530e+05   -1.96537e+06    2.28267e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12184e+02   -2.07712e+02    4.31123e+01    5.82280e-06


DD  step 216054999 load imb.: force 10.9%  pme mesh/force 0.701
           Step           Time
      216055000   432110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94026e+03    1.96344e+04    1.30349e+04    1.23075e+03   -2.96687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76293e+03    9.32916e+04    4.00240e+05   -2.33745e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66770e+04   -2.44503e+06    4.79580e+05   -1.96545e+06    2.28273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.07079e+02   -1.39407e+01    5.90387e-06


DD  step 216059999 load imb.: force 12.9%  pme mesh/force 0.687
           Step           Time
      216060000   432120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91179e+03    1.98917e+04    1.30218e+04    1.16960e+03   -3.10553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92990e+03    9.31696e+04    4.01028e+05   -2.33429e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66651e+04   -2.44379e+06    4.79836e+05   -1.96395e+06    2.28279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11086e+02   -2.06521e+02    4.13901e+01    5.77082e-06


DD  step 216064999 load imb.: force 10.2%  pme mesh/force 0.709
           Step           Time
      216065000   432130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91281e+03    1.94563e+04    1.30069e+04    1.20430e+03   -3.05496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88408e+03    9.29592e+04    4.02771e+05   -2.34045e+04   -2.97982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63603e+04   -2.44773e+06    4.79795e+05   -1.96793e+06    2.28285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.07611e+02    9.14184e+01    5.77076e-06


DD  step 216069999 load imb.: force 11.0%  pme mesh/force 0.720
           Step           Time
      216070000   432140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83862e+03    1.96210e+04    1.31256e+04    1.21187e+03   -3.09555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87492e+03    9.31370e+04    4.00228e+05   -2.33574e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65867e+04   -2.44633e+06    4.79439e+05   -1.96689e+06    2.28290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10829e+02   -2.06776e+02    1.70038e+01    5.90692e-06


DD  step 216074999 load imb.: force 11.5%  pme mesh/force 0.698
           Step           Time
      216075000   432150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93082e+03    1.93855e+04    1.31132e+04    1.16114e+03   -3.00002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90968e+03    9.34106e+04    3.99503e+05   -2.33569e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64811e+04   -2.44485e+06    4.79571e+05   -1.96528e+06    2.28296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10914e+02   -2.06769e+02   -1.46287e+01    6.08291e-06


DD  step 216079999 load imb.: force 13.0%  pme mesh/force 0.723
           Step           Time
      216080000   432160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05470e+03    1.96092e+04    1.30735e+04    1.22578e+03   -3.00121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86276e+03    9.26452e+04    4.02873e+05   -2.33864e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65640e+04   -2.44556e+06    4.80599e+05   -1.96496e+06    2.28302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11581e+02   -2.07290e+02    9.55591e+01    5.70699e-06


DD  step 216084999 load imb.: force 11.4%  pme mesh/force 0.707
           Step           Time
      216085000   432170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97809e+03    1.94966e+04    1.30649e+04    1.11910e+03   -3.06171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74434e+03    9.24117e+04    4.03968e+05   -2.33690e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65415e+04   -2.44711e+06    4.80174e+05   -1.96693e+06    2.28308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.06983e+02    7.10488e+01    5.76796e-06


DD  step 216089999 load imb.: force 10.5%  pme mesh/force 0.696
           Step           Time
      216090000   432180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93148e+03    1.94686e+04    1.32424e+04    1.20235e+03   -3.07368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64660e+03    9.31329e+04    3.99509e+05   -2.33954e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65208e+04   -2.44743e+06    4.78071e+05   -1.96936e+06    2.28314e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09942e+02   -2.07450e+02   -1.46248e+01    5.75247e-06


DD  step 216094999 load imb.: force 10.6%  pme mesh/force 0.692
           Step           Time
      216095000   432190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92974e+03    1.94168e+04    1.30193e+04    1.14562e+03   -3.09390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86920e+03    9.28849e+04    3.99083e+05   -2.33781e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63195e+04   -2.44919e+06    4.78205e+05   -1.97099e+06    2.28320e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10029e+02   -2.07142e+02   -6.76828e+01    5.73537e-06


DD  step 216099999 load imb.: force 13.2%  pme mesh/force 0.714
           Step           Time
      216100000   432200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14381e+03    1.93792e+04    1.31512e+04    1.14849e+03   -3.08675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97082e+03    9.30985e+04    3.99220e+05   -2.33710e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66564e+04   -2.44781e+06    4.81415e+05   -1.96639e+06    2.28325e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12110e+02   -2.07017e+02   -4.46156e+01    5.81827e-06


DD  step 216104999 load imb.: force 12.9%  pme mesh/force 0.722
           Step           Time
      216105000   432210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10072e+03    1.91546e+04    1.30278e+04    1.17475e+03   -3.06326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79218e+03    9.30888e+04    4.03107e+05   -2.34061e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63966e+04   -2.44717e+06    4.80417e+05   -1.96676e+06    2.28331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11463e+02   -2.07639e+02    8.74141e+01    5.77754e-06


DD  step 216109999 load imb.: force 10.9%  pme mesh/force 0.676
           Step           Time
      216110000   432220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09725e+03    1.95828e+04    1.31089e+04    1.19835e+03   -3.10376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74833e+03    9.26426e+04    4.00942e+05   -2.34537e+04   -2.98011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64309e+04   -2.44991e+06    4.78546e+05   -1.97137e+06    2.28337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10250e+02   -2.08483e+02   -1.57449e+01    5.74039e-06

Writing checkpoint, step 216111350 at Tue Nov  7 16:31:28 2023



DD  step 216114999 load imb.: force 11.7%  pme mesh/force 0.704
           Step           Time
      216115000   432230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92076e+03    1.91603e+04    1.30129e+04    1.26881e+03   -3.05107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81662e+03    9.35729e+04    4.00073e+05   -2.33738e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63869e+04   -2.44767e+06    4.81840e+05   -1.96583e+06    2.28342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12386e+02   -2.07066e+02   -3.06279e+01    5.81102e-06


DD  step 216119999 load imb.: force 11.8%  pme mesh/force 0.701
           Step           Time
      216120000   432240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04427e+03    1.93634e+04    1.29937e+04    1.23347e+03   -2.93934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82514e+03    9.30390e+04    3.98838e+05   -2.33672e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65807e+04   -2.44748e+06    4.78444e+05   -1.96903e+06    2.28349e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10184e+02   -2.06950e+02   -9.35251e+01    5.80253e-06


DD  step 216124999 load imb.: force 11.3%  pme mesh/force 0.710
           Step           Time
      216125000   432250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.39624e+03    1.92590e+04    1.32026e+04    1.16702e+03   -3.16936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83786e+03    9.31144e+04    3.98597e+05   -2.34171e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64331e+04   -2.44724e+06    4.80401e+05   -1.96684e+06    2.28354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.07834e+02   -1.01492e+01    5.74921e-06


DD  step 216129999 load imb.: force 15.4%  pme mesh/force 0.745
           Step           Time
      216130000   432260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08153e+03    1.93831e+04    1.30007e+04    1.23617e+03   -3.01345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80470e+03    9.32663e+04    3.99751e+05   -2.33698e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65258e+04   -2.44884e+06    4.80997e+05   -1.96784e+06    2.28360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11839e+02   -2.06997e+02   -2.35971e+00    5.72389e-06


DD  step 216134999 load imb.: force 11.4%  pme mesh/force 0.702
           Step           Time
      216135000   432270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25720e+03    1.95829e+04    1.29900e+04    1.25741e+03   -3.01480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81289e+03    9.27368e+04    3.98686e+05   -2.33646e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63462e+04   -2.44554e+06    4.79555e+05   -1.96599e+06    2.28366e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10904e+02   -2.06904e+02   -9.74016e+01    5.86063e-06


DD  step 216139999 load imb.: force 12.2%  pme mesh/force 0.704
           Step           Time
      216140000   432280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78841e+03    1.92123e+04    1.31510e+04    1.17106e+03   -3.26633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80382e+03    9.30428e+04    4.00588e+05   -2.33573e+04   -2.97900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63505e+04   -2.44952e+06    4.79361e+05   -1.97015e+06    2.28371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10778e+02   -2.06775e+02   -5.43817e+01    5.83061e-06


DD  step 216144999 load imb.: force 13.8%  pme mesh/force 0.725
           Step           Time
      216145000   432290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99215e+03    1.94527e+04    1.31178e+04    1.12878e+03   -3.13465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85119e+03    9.35049e+04    3.97546e+05   -2.33462e+04   -2.97427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65711e+04   -2.44659e+06    4.77486e+05   -1.96910e+06    2.28377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09563e+02   -2.06579e+02   -1.13383e+02    5.87437e-06


DD  step 216149999 load imb.: force 13.1%  pme mesh/force 0.777
           Step           Time
      216150000   432300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01536e+03    1.95516e+04    1.31490e+04    1.11158e+03   -3.04557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88145e+03    9.30616e+04    3.97674e+05   -2.33731e+04   -2.97160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66086e+04   -2.44396e+06    4.78697e+05   -1.96527e+06    2.28383e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10348e+02   -2.07055e+02   -3.36425e+01    5.86594e-06


DD  step 216154999 load imb.: force 12.6%  pme mesh/force 0.723
           Step           Time
      216155000   432310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96931e+03    1.92482e+04    1.29965e+04    1.14738e+03   -3.09937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86254e+03    9.31962e+04    3.97097e+05   -2.33295e+04   -2.97267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65391e+04   -2.44604e+06    4.81406e+05   -1.96463e+06    2.28388e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12104e+02   -2.06284e+02   -9.01841e+01    5.80236e-06


DD  step 216159999 load imb.: force 11.5%  pme mesh/force 0.673
           Step           Time
      216160000   432320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02559e+03    1.93409e+04    1.29368e+04    1.23299e+03   -2.97802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71451e+03    9.31801e+04    4.00855e+05   -2.34037e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64477e+04   -2.44942e+06    4.78738e+05   -1.97068e+06    2.28395e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10375e+02   -2.07596e+02   -3.25277e+01    5.84273e-06


DD  step 216164999 load imb.: force 14.0%  pme mesh/force 0.760
           Step           Time
      216165000   432330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10095e+03    1.96454e+04    1.30245e+04    1.19805e+03   -3.04983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83632e+03    9.30867e+04    4.01913e+05   -2.33847e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65417e+04   -2.44616e+06    4.80241e+05   -1.96592e+06    2.28401e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.07260e+02    6.75541e+01    5.88848e-06


DD  step 216169999 load imb.: force 13.3%  pme mesh/force 0.729
           Step           Time
      216170000   432340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09507e+03    1.96104e+04    1.30424e+04    1.25860e+03   -3.08631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88171e+03    9.30095e+04    3.99037e+05   -2.33796e+04   -2.97399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64285e+04   -2.44510e+06    4.78628e+05   -1.96647e+06    2.28406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10303e+02   -2.07171e+02   -2.61234e+01    5.90727e-06


DD  step 216174999 load imb.: force 13.7%  pme mesh/force 0.734
           Step           Time
      216175000   432350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05052e+03    1.91502e+04    1.30380e+04    1.11859e+03   -3.04444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81582e+03    9.33859e+04    4.02247e+05   -2.33765e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63704e+04   -2.44723e+06    4.80341e+05   -1.96689e+06    2.28412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.07116e+02    3.75739e+01    5.85437e-06


DD  step 216179999 load imb.: force 11.8%  pme mesh/force 0.717
           Step           Time
      216180000   432360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74964e+03    1.92294e+04    1.30751e+04    1.28599e+03   -2.96571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89822e+03    9.33056e+04    4.02247e+05   -2.34242e+04   -2.98021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63623e+04   -2.44845e+06    4.81406e+05   -1.96704e+06    2.28418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12104e+02   -2.07959e+02    7.59090e+01    5.68891e-06


DD  step 216184999 load imb.: force 12.3%  pme mesh/force 0.722
           Step           Time
      216185000   432370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15563e+03    1.95136e+04    1.29962e+04    1.18352e+03   -3.06111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82184e+03    9.29287e+04    4.02684e+05   -2.33825e+04   -2.98202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64885e+04   -2.44969e+06    4.81197e+05   -1.96849e+06    2.28424e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11968e+02   -2.07222e+02    3.42705e+00    5.87056e-06


DD  step 216189999 load imb.: force 13.9%  pme mesh/force 0.728
           Step           Time
      216190000   432380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99665e+03    1.94840e+04    1.32078e+04    1.16994e+03   -3.20763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85316e+03    9.33012e+04    4.01335e+05   -2.33977e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65280e+04   -2.44548e+06    4.80024e+05   -1.96546e+06    2.28429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11208e+02   -2.07490e+02    4.54681e+01    5.88005e-06


DD  step 216194999 load imb.: force 12.1%  pme mesh/force 0.724
           Step           Time
      216195000   432390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17573e+03    1.92412e+04    1.32161e+04    1.17482e+03   -2.97462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71504e+03    9.38719e+04    3.99934e+05   -2.33974e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65228e+04   -2.44738e+06    4.80692e+05   -1.96668e+06    2.28435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11641e+02   -2.07485e+02   -5.01836e+01    5.87017e-06


DD  step 216199999 load imb.: force 12.9%  pme mesh/force 0.731
           Step           Time
      216200000   432400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08784e+03    1.92924e+04    1.29643e+04    1.17510e+03   -3.04709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77460e+03    9.30252e+04    4.00515e+05   -2.33482e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65884e+04   -2.44602e+06    4.79429e+05   -1.96659e+06    2.28441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10822e+02   -2.06614e+02   -6.47285e+00    5.89775e-06


DD  step 216204999 load imb.: force 13.2%  pme mesh/force 0.715
           Step           Time
      216205000   432410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98969e+03    1.91775e+04    1.30233e+04    1.14020e+03   -3.02063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83239e+03    9.33912e+04    3.99798e+05   -2.33330e+04   -2.97469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65612e+04   -2.44513e+06    4.80521e+05   -1.96461e+06    2.28447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.06346e+02   -3.78225e+01    5.74369e-06


DD  step 216209999 load imb.: force 12.6%  pme mesh/force 0.721
           Step           Time
      216210000   432420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07937e+03    1.93718e+04    1.28467e+04    1.17515e+03   -3.07297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73009e+03    9.31611e+04    3.99310e+05   -2.34440e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64368e+04   -2.44942e+06    4.77427e+05   -1.97199e+06    2.28453e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09524e+02   -2.08311e+02   -6.16745e+01    5.65154e-06


DD  step 216214999 load imb.: force 14.4%  pme mesh/force 0.742
           Step           Time
      216215000   432430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30193e+03    1.95047e+04    1.29624e+04    1.24489e+03   -2.93542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76136e+03    9.30078e+04    4.01913e+05   -2.34305e+04   -2.97796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66195e+04   -2.44601e+06    4.81669e+05   -1.96435e+06    2.28459e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12274e+02   -2.08072e+02    9.30383e+01    6.02972e-06


DD  step 216219999 load imb.: force 11.2%  pme mesh/force 0.703
           Step           Time
      216220000   432440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14097e+03    1.93263e+04    1.30180e+04    1.20141e+03   -3.09133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86952e+03    9.32946e+04    3.97784e+05   -2.33525e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64369e+04   -2.44581e+06    4.80432e+05   -1.96538e+06    2.28465e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11473e+02   -2.06690e+02   -6.96777e+01    5.88525e-06


DD  step 216224999 load imb.: force 12.5%  pme mesh/force 0.733
           Step           Time
      216225000   432450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12439e+03    1.95100e+04    1.30955e+04    1.06539e+03   -3.11863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98008e+03    9.30134e+04    4.00706e+05   -2.34101e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64023e+04   -2.44869e+06    4.78828e+05   -1.96987e+06    2.28471e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10432e+02   -2.07710e+02    2.70564e+01    5.96917e-06


DD  step 216229999 load imb.: force 16.8%  pme mesh/force 0.784
           Step           Time
      216230000   432460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01145e+03    1.98203e+04    1.29105e+04    1.22218e+03   -2.99373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84557e+03    9.29818e+04    4.01100e+05   -2.33941e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64266e+04   -2.44631e+06    4.79915e+05   -1.96639e+06    2.28477e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.07426e+02    6.22806e+01    5.86957e-06


DD  step 216234999 load imb.: force 13.5%  pme mesh/force 0.763
           Step           Time
      216235000   432470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00920e+03    1.89616e+04    1.30962e+04    1.17874e+03   -3.04263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83857e+03    9.36636e+04    4.01132e+05   -2.33795e+04   -2.98069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65657e+04   -2.44967e+06    4.78517e+05   -1.97115e+06    2.28483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10231e+02   -2.07168e+02   -4.21795e+01    5.97674e-06


DD  step 216239999 load imb.: force 12.7%  pme mesh/force 0.728
           Step           Time
      216240000   432480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84124e+03    1.92833e+04    1.30129e+04    1.23382e+03   -3.16534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86675e+03    9.38621e+04    4.02386e+05   -2.34257e+04   -2.98327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63999e+04   -2.45098e+06    4.80586e+05   -1.97039e+06    2.28488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11572e+02   -2.07986e+02    4.31314e+01    6.03569e-06


DD  step 216244999 load imb.: force 13.3%  pme mesh/force 0.757
           Step           Time
      216245000   432490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84319e+03    1.93980e+04    1.32978e+04    1.22215e+03   -3.11681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85608e+03    9.33389e+04    3.97717e+05   -2.33933e+04   -2.97473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65601e+04   -2.44700e+06    4.78024e+05   -1.96898e+06    2.28494e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09911e+02   -2.07413e+02   -3.14620e+01    5.85642e-06


DD  step 216249999 load imb.: force 13.2%  pme mesh/force 0.734
           Step           Time
      216250000   432500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12083e+03    1.93989e+04    1.30354e+04    1.14395e+03   -3.00378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80314e+03    9.31212e+04    4.02437e+05   -2.34356e+04   -2.98165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64925e+04   -2.44953e+06    4.78032e+05   -1.97150e+06    2.28500e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09917e+02   -2.08162e+02    8.12896e+01    5.88865e-06


DD  step 216254999 load imb.: force 15.2%  pme mesh/force 0.813
           Step           Time
      216255000   432510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15542e+03    1.92448e+04    1.28625e+04    1.14186e+03   -3.01339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71638e+03    9.35975e+04    4.00835e+05   -2.33401e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66665e+04   -2.44702e+06    4.79763e+05   -1.96726e+06    2.28506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.06471e+02   -3.68358e+01    5.75346e-06


DD  step 216259999 load imb.: force 11.5%  pme mesh/force 0.729
           Step           Time
      216260000   432520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98372e+03    1.94194e+04    1.30242e+04    1.18824e+03   -3.10758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84502e+03    9.33080e+04    4.00687e+05   -2.34398e+04   -2.98013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64494e+04   -2.44977e+06    4.77755e+05   -1.97201e+06    2.28512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09737e+02   -2.08237e+02    1.78712e+01    5.99250e-06


DD  step 216264999 load imb.: force 10.9%  pme mesh/force 0.710
           Step           Time
      216265000   432530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18588e+03    1.94884e+04    1.30140e+04    1.30765e+03   -3.03924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85576e+03    9.33307e+04    3.97301e+05   -2.33600e+04   -2.97263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63899e+04   -2.44515e+06    4.80083e+05   -1.96507e+06    2.28518e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11246e+02   -2.06823e+02   -9.84443e+01    5.85237e-06


DD  step 216269999 load imb.: force 12.7%  pme mesh/force 0.714
           Step           Time
      216270000   432540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90096e+03    1.96245e+04    1.30526e+04    1.12518e+03   -3.04950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80877e+03    9.31068e+04    3.99927e+05   -2.33968e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64995e+04   -2.44646e+06    4.78909e+05   -1.96755e+06    2.28523e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10485e+02   -2.07474e+02    4.25363e+00    5.67374e-06


DD  step 216274999 load imb.: force 12.0%  pme mesh/force 0.706
           Step           Time
      216275000   432550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95907e+03    1.93119e+04    1.31371e+04    1.25270e+03   -3.11675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78364e+03    9.32019e+04    3.98000e+05   -2.33839e+04   -2.97496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64867e+04   -2.44733e+06    4.80810e+05   -1.96652e+06    2.28529e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11718e+02   -2.07245e+02   -9.42737e+01    5.64574e-06


DD  step 216279999 load imb.: force 12.7%  pme mesh/force 0.737
           Step           Time
      216280000   432560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77824e+03    1.92601e+04    1.31957e+04    1.06961e+03   -3.09734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89199e+03    9.33699e+04    4.01073e+05   -2.33887e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63789e+04   -2.44626e+06    4.78048e+05   -1.96822e+06    2.28535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09927e+02   -2.07331e+02    4.21483e+01    5.83422e-06


DD  step 216284999 load imb.: force 13.9%  pme mesh/force 0.773
           Step           Time
      216285000   432570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00072e+03    1.89712e+04    1.30278e+04    1.16562e+03   -3.05527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91737e+03    9.31507e+04    4.00698e+05   -2.34124e+04   -2.98057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63605e+04   -2.45075e+06    4.79011e+05   -1.97174e+06    2.28541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10551e+02   -2.07751e+02   -1.22958e+01    5.98707e-06


DD  step 216289999 load imb.: force 12.6%  pme mesh/force 0.732
           Step           Time
      216290000   432580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95224e+03    1.92396e+04    1.32197e+04    1.19605e+03   -3.10828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85940e+03    9.32735e+04    4.00170e+05   -2.33979e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65139e+04   -2.44405e+06    4.79398e+05   -1.96465e+06    2.28547e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10802e+02   -2.07495e+02    5.38191e+01    5.77498e-06


DD  step 216294999 load imb.: force 14.0%  pme mesh/force 0.744
           Step           Time
      216295000   432590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09264e+03    1.92148e+04    1.29001e+04    1.23586e+03   -3.02526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84927e+03    9.35785e+04    4.01474e+05   -2.33781e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64221e+04   -2.44521e+06    4.78271e+05   -1.96694e+06    2.28553e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10071e+02   -2.07142e+02    2.55759e+01    5.82592e-06


DD  step 216299999 load imb.: force 12.7%  pme mesh/force 0.718
           Step           Time
      216300000   432600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15134e+03    1.97184e+04    1.29881e+04    1.15824e+03   -3.01542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71065e+03    9.30022e+04    4.01180e+05   -2.33675e+04   -2.97664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65950e+04   -2.44552e+06    4.81796e+05   -1.96373e+06    2.28558e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12357e+02   -2.06956e+02    5.90446e+00    5.76100e-06


DD  step 216304999 load imb.: force 12.7%  pme mesh/force 0.735
           Step           Time
      216305000   432610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80917e+03    1.95695e+04    1.30052e+04    1.19112e+03   -3.06471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89701e+03    9.32289e+04    3.99943e+05   -2.33299e+04   -2.97507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64395e+04   -2.44538e+06    4.78131e+05   -1.96725e+06    2.28565e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09981e+02   -2.06290e+02   -6.49745e+01    5.72599e-06


DD  step 216309999 load imb.: force 12.2%  pme mesh/force 0.693
           Step           Time
      216310000   432620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89615e+03    1.86937e+04    1.29765e+04    1.16329e+03   -3.05025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91837e+03    9.38685e+04    4.01085e+05   -2.34397e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64349e+04   -2.44930e+06    4.80822e+05   -1.96847e+06    2.28570e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11726e+02   -2.08235e+02   -5.31178e+00    5.84085e-06


DD  step 216314999 load imb.: force 13.5%  pme mesh/force 0.726
           Step           Time
      216315000   432630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02981e+03    1.91894e+04    1.31792e+04    1.18873e+03   -3.03129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84244e+03    9.33759e+04    4.00190e+05   -2.33787e+04   -2.97944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65153e+04   -2.44934e+06    4.78954e+05   -1.97039e+06    2.28576e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10514e+02   -2.07155e+02   -7.32714e+01    5.86842e-06


DD  step 216319999 load imb.: force 13.5%  pme mesh/force 0.731
           Step           Time
      216320000   432640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18579e+03    1.89231e+04    1.29956e+04    1.24300e+03   -2.95067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74737e+03    9.34190e+04    3.98705e+05   -2.33742e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63855e+04   -2.44979e+06    4.79876e+05   -1.96992e+06    2.28582e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11112e+02   -2.07073e+02   -7.98175e+01    5.89490e-06


DD  step 216324999 load imb.: force 12.7%  pme mesh/force 0.714
           Step           Time
      216325000   432650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28621e+03    1.93979e+04    1.29787e+04    1.15405e+03   -3.11293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86040e+03    9.30531e+04    3.98833e+05   -2.33991e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66043e+04   -2.44916e+06    4.80776e+05   -1.96838e+06    2.28588e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11696e+02   -2.07516e+02   -6.06199e+01    5.84938e-06


DD  step 216329999 load imb.: force 11.8%  pme mesh/force 0.729
           Step           Time
      216330000   432660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64069e+03    1.93620e+04    1.31998e+04    1.11664e+03   -3.08539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01422e+03    9.31074e+04    4.03571e+05   -2.34037e+04   -2.98088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68200e+04   -2.44754e+06    4.80074e+05   -1.96747e+06    2.28593e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11240e+02   -2.07596e+02    1.68731e+02    5.87658e-06


DD  step 216334999 load imb.: force 13.1%  pme mesh/force 0.742
           Step           Time
      216335000   432670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87023e+03    1.98474e+04    1.31200e+04    1.21237e+03   -3.18918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89677e+03    9.27058e+04    3.99399e+05   -2.33746e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63419e+04   -2.44749e+06    4.81047e+05   -1.96644e+06    2.28599e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11871e+02   -2.07081e+02   -3.59473e+01    5.64678e-06


DD  step 216339999 load imb.: force 12.8%  pme mesh/force 0.722
           Step           Time
      216340000   432680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27756e+03    1.91436e+04    1.33008e+04    1.16157e+03   -3.10213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76205e+03    9.29784e+04    3.98978e+05   -2.33467e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66246e+04   -2.44903e+06    4.79392e+05   -1.96964e+06    2.28605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.06587e+02   -1.31326e+02    5.93028e-06


DD  step 216344999 load imb.: force 13.6%  pme mesh/force 0.756
           Step           Time
      216345000   432690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06873e+03    1.96823e+04    1.28736e+04    1.09995e+03   -2.95759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97945e+03    9.26357e+04    3.96431e+05   -2.34010e+04   -2.97141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63828e+04   -2.44561e+06    4.79294e+05   -1.96632e+06    2.28611e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.07548e+02   -3.45132e+01    5.67228e-06


DD  step 216349999 load imb.: force 11.9%  pme mesh/force 0.684
           Step           Time
      216350000   432700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07082e+03    1.92068e+04    1.32057e+04    1.13699e+03   -3.16813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00630e+03    9.29050e+04    3.99370e+05   -2.33869e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63437e+04   -2.44721e+06    4.80007e+05   -1.96720e+06    2.28617e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11197e+02   -2.07299e+02   -5.08026e+01    5.97126e-06


DD  step 216354999 load imb.: force 11.8%  pme mesh/force 0.702
           Step           Time
      216355000   432710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83787e+03    1.94144e+04    1.33134e+04    1.29387e+03   -3.09185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77046e+03    9.31861e+04    3.99565e+05   -2.33795e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66309e+04   -2.44514e+06    4.78708e+05   -1.96643e+06    2.28622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10355e+02   -2.07167e+02   -4.96917e+01    5.91515e-06


DD  step 216359999 load imb.: force 12.9%  pme mesh/force 0.750
           Step           Time
      216360000   432720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96961e+03    1.91042e+04    1.30541e+04    1.22394e+03   -3.10075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76694e+03    9.29806e+04    3.98951e+05   -2.33921e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61608e+04   -2.44864e+06    4.79778e+05   -1.96886e+06    2.28628e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11049e+02   -2.07392e+02   -5.12268e+01    5.95756e-06


DD  step 216364999 load imb.: force 12.5%  pme mesh/force 0.683
           Step           Time
      216365000   432730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96300e+03    1.98693e+04    1.31118e+04    1.22154e+03   -3.06544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84842e+03    9.28945e+04    4.00129e+05   -2.33798e+04   -2.97462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65094e+04   -2.44452e+06    4.80744e+05   -1.96377e+06    2.28634e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11675e+02   -2.07174e+02    1.88079e+01    5.80528e-06


DD  step 216369999 load imb.: force 12.9%  pme mesh/force 0.724
           Step           Time
      216370000   432740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11566e+03    1.91009e+04    1.31515e+04    1.15612e+03   -3.16382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89882e+03    9.30841e+04    4.01741e+05   -2.33909e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64562e+04   -2.44798e+06    4.79067e+05   -1.96892e+06    2.28639e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10588e+02   -2.07370e+02    4.14026e+01    5.71777e-06


DD  step 216374999 load imb.: force 12.8%  pme mesh/force 0.735
           Step           Time
      216375000   432750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06335e+03    1.96615e+04    1.31314e+04    1.23472e+03   -3.15498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82254e+03    9.31421e+04    3.98377e+05   -2.33769e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64138e+04   -2.44590e+06    4.81120e+05   -1.96478e+06    2.28645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11919e+02   -2.07123e+02   -4.30664e+01    5.85997e-06


DD  step 216379999 load imb.: force 13.2%  pme mesh/force 0.761
           Step           Time
      216380000   432760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77589e+03    1.95315e+04    1.28196e+04    1.17254e+03   -3.10068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90434e+03    9.32718e+04    4.00116e+05   -2.34248e+04   -2.97927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62491e+04   -2.44996e+06    4.79449e+05   -1.97051e+06    2.28651e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10836e+02   -2.07970e+02    3.17157e+01    5.72123e-06


DD  step 216384999 load imb.: force 17.0%  pme mesh/force 0.747
           Step           Time
      216385000   432770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91780e+03    1.91254e+04    1.29536e+04    1.21703e+03   -3.11026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80858e+03    9.34578e+04    4.00854e+05   -2.33541e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64296e+04   -2.44899e+06    4.78985e+05   -1.97000e+06    2.28657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10534e+02   -2.06718e+02   -3.72187e+01    5.87907e-06


DD  step 216389999 load imb.: force 12.6%  pme mesh/force 0.716
           Step           Time
      216390000   432780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90645e+03    1.95497e+04    1.29823e+04    1.17797e+03   -3.10677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87767e+03    9.30696e+04    4.00312e+05   -2.33997e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65339e+04   -2.44916e+06    4.79171e+05   -1.96999e+06    2.28663e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10655e+02   -2.07526e+02   -1.16241e+01    5.58594e-06


DD  step 216394999 load imb.: force 13.5%  pme mesh/force 0.731
           Step           Time
      216395000   432790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03100e+03    1.95355e+04    1.31431e+04    1.16418e+03   -3.18169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86969e+03    9.30691e+04    3.97819e+05   -2.33599e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63390e+04   -2.44748e+06    4.80217e+05   -1.96727e+06    2.28668e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.06822e+02   -5.51745e+01    5.73475e-06


DD  step 216399999 load imb.: force 13.4%  pme mesh/force 0.723
           Step           Time
      216400000   432800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07705e+03    1.92854e+04    1.31276e+04    1.14091e+03   -3.21094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80730e+03    9.32060e+04    4.04382e+05   -2.33996e+04   -2.98160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63586e+04   -2.44783e+06    4.79402e+05   -1.96843e+06    2.28674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.07524e+02    1.08411e+02    5.68775e-06


DD  step 216404999 load imb.: force 12.9%  pme mesh/force 0.727
           Step           Time
      216405000   432810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77665e+03    1.92673e+04    1.29179e+04    1.13770e+03   -3.01952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84474e+03    9.35026e+04    4.00088e+05   -2.33673e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64935e+04   -2.44824e+06    4.79332e+05   -1.96891e+06    2.28680e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.06951e+02    1.65604e+01    5.81183e-06


DD  step 216409999 load imb.: force 11.6%  pme mesh/force 0.689
           Step           Time
      216410000   432820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95398e+03    1.95572e+04    1.30087e+04    1.16573e+03   -3.15273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87281e+03    9.32687e+04    4.01335e+05   -2.33868e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63520e+04   -2.44954e+06    4.78165e+05   -1.97137e+06    2.28686e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10003e+02   -2.07297e+02   -1.80876e+01    5.68636e-06


DD  step 216414999 load imb.: force 14.2%  pme mesh/force 0.758
           Step           Time
      216415000   432830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06405e+03    1.96901e+04    1.30948e+04    1.07720e+03   -2.99433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82064e+03    9.33955e+04    4.00568e+05   -2.34080e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63673e+04   -2.44631e+06    4.79311e+05   -1.96700e+06    2.28692e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10746e+02   -2.07672e+02   -1.29443e+01    5.72325e-06


DD  step 216419999 load imb.: force 12.2%  pme mesh/force 0.704
           Step           Time
      216420000   432840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10911e+03    1.89888e+04    1.29894e+04    1.19655e+03   -3.01650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75618e+03    9.32378e+04    3.98277e+05   -2.33582e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65065e+04   -2.44934e+06    4.78819e+05   -1.97052e+06    2.28697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10427e+02   -2.06791e+02   -1.43264e+02    5.74754e-06


DD  step 216424999 load imb.: force 12.5%  pme mesh/force 0.715
           Step           Time
      216425000   432850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63316e+03    1.96014e+04    1.31794e+04    1.23641e+03   -3.14669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94144e+03    9.36102e+04    4.00442e+05   -2.33849e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65486e+04   -2.44417e+06    4.78788e+05   -1.96538e+06    2.28703e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10407e+02   -2.07264e+02    6.06001e+01    5.77185e-06


DD  step 216429999 load imb.: force 11.7%  pme mesh/force 0.728
           Step           Time
      216430000   432860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31241e+03    1.96141e+04    1.31595e+04    1.11456e+03   -3.12578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76214e+03    9.29630e+04    4.00755e+05   -2.33942e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65779e+04   -2.44844e+06    4.79461e+05   -1.96898e+06    2.28709e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07429e+02   -6.00042e+01    5.82236e-06


DD  step 216434999 load imb.: force 11.3%  pme mesh/force 0.722
           Step           Time
      216435000   432870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87826e+03    1.99610e+04    1.32260e+04    1.15118e+03   -3.06614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80607e+03    9.32650e+04    3.98432e+05   -2.33937e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66324e+04   -2.44481e+06    4.83025e+05   -1.96178e+06    2.28715e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13154e+02   -2.07419e+02   -2.10945e+01    5.99973e-06


DD  step 216439999 load imb.: force 12.6%  pme mesh/force 0.746
           Step           Time
      216440000   432880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02014e+03    1.95200e+04    1.31264e+04    1.26208e+03   -3.19224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79011e+03    9.29824e+04    4.00373e+05   -2.34227e+04   -2.97641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66615e+04   -2.44629e+06    4.79581e+05   -1.96671e+06    2.28721e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10921e+02   -2.07933e+02    3.36666e+01    5.68728e-06


DD  step 216444999 load imb.: force 12.2%  pme mesh/force 0.725
           Step           Time
      216445000   432890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77461e+03    1.96721e+04    1.28826e+04    1.23938e+03   -3.08602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81907e+03    9.31783e+04    4.00589e+05   -2.33953e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65810e+04   -2.44836e+06    4.78897e+05   -1.96946e+06    2.28727e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10477e+02   -2.07448e+02    2.65575e+00    5.76528e-06


DD  step 216449999 load imb.: force 14.1%  pme mesh/force 0.765
           Step           Time
      216450000   432900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15734e+03    1.94315e+04    1.28745e+04    1.16370e+03   -3.09043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78508e+03    9.32959e+04    3.98808e+05   -2.33610e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66969e+04   -2.44702e+06    4.80883e+05   -1.96614e+06    2.28733e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11765e+02   -2.06841e+02   -7.87100e+01    5.81054e-06


DD  step 216454999 load imb.: force 13.5%  pme mesh/force 0.746
           Step           Time
      216455000   432910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07658e+03    1.95399e+04    1.30415e+04    1.18835e+03   -3.05100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81861e+03    9.36503e+04    3.98361e+05   -2.33671e+04   -2.97664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65226e+04   -2.44786e+06    4.79909e+05   -1.96795e+06    2.28738e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11133e+02   -2.06949e+02   -1.13170e+02    5.86199e-06


DD  step 216459999 load imb.: force 12.3%  pme mesh/force 0.743
           Step           Time
      216460000   432920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35199e+03    1.93925e+04    1.29718e+04    1.12756e+03   -3.09231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75633e+03    9.32237e+04    4.00375e+05   -2.34532e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65882e+04   -2.44683e+06    4.78418e+05   -1.96841e+06    2.28744e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10167e+02   -2.08474e+02   -3.74020e+01    5.78105e-06

Writing checkpoint, step 216464100 at Tue Nov  7 16:46:28 2023



DD  step 216464999 load imb.: force 11.6%  pme mesh/force 0.734
           Step           Time
      216465000   432930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35378e+03    1.95891e+04    1.29830e+04    1.18816e+03   -3.02549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77321e+03    9.31271e+04    3.99005e+05   -2.33961e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66900e+04   -2.44563e+06    4.82296e+05   -1.96333e+06    2.28750e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12681e+02   -2.07461e+02   -2.14827e+01    5.81072e-06


DD  step 216469999 load imb.: force 11.7%  pme mesh/force 0.702
           Step           Time
      216470000   432940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09507e+03    1.95819e+04    1.30607e+04    1.15553e+03   -3.12554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80443e+03    9.32816e+04    3.98434e+05   -2.34196e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66726e+04   -2.44760e+06    4.78139e+05   -1.96946e+06    2.28756e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09986e+02   -2.07878e+02   -3.11316e+01    5.85537e-06


DD  step 216474999 load imb.: force 14.4%  pme mesh/force 0.739
           Step           Time
      216475000   432950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11343e+03    1.95930e+04    1.31257e+04    1.06705e+03   -3.11640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88574e+03    9.32048e+04    4.00529e+05   -2.33958e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63938e+04   -2.44506e+06    4.81013e+05   -1.96404e+06    2.28762e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11849e+02   -2.07456e+02    4.24389e+01    5.76795e-06


DD  step 216479999 load imb.: force 13.2%  pme mesh/force 0.740
           Step           Time
      216480000   432960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86601e+03    1.91296e+04    1.32011e+04    1.29655e+03   -3.13169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91623e+03    9.41293e+04    3.97135e+05   -2.33488e+04   -2.97339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63736e+04   -2.44582e+06    4.79410e+05   -1.96641e+06    2.28767e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.06626e+02   -9.90185e+01    5.92770e-06


DD  step 216484999 load imb.: force 13.9%  pme mesh/force 0.747
           Step           Time
      216485000   432970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92788e+03    1.95782e+04    1.31655e+04    1.18835e+03   -3.14313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92299e+03    9.29425e+04    3.99488e+05   -2.33748e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64476e+04   -2.44900e+06    4.81009e+05   -1.96799e+06    2.28773e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11846e+02   -2.07085e+02   -6.57063e+01    5.73966e-06


DD  step 216489999 load imb.: force 15.0%  pme mesh/force 0.766
           Step           Time
      216490000   432980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10239e+03    1.96654e+04    1.31885e+04    1.14166e+03   -3.09973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88198e+03    9.32875e+04    3.99910e+05   -2.33904e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65807e+04   -2.44412e+06    4.80156e+05   -1.96396e+06    2.28779e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11294e+02   -2.07360e+02    4.07099e+01    5.75887e-06


DD  step 216494999 load imb.: force 14.6%  pme mesh/force 0.745
           Step           Time
      216495000   432990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90554e+03    1.98700e+04    1.31622e+04    1.16872e+03   -3.05447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78489e+03    9.31263e+04    4.02184e+05   -2.33869e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66239e+04   -2.44675e+06    4.81505e+05   -1.96524e+06    2.28785e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12169e+02   -2.07299e+02    9.76285e+01    5.89996e-06


DD  step 216499999 load imb.: force 14.3%  pme mesh/force 0.750
           Step           Time
      216500000   433000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15865e+03    1.92265e+04    1.30516e+04    1.15073e+03   -2.96402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88237e+03    9.28864e+04    3.98990e+05   -2.33390e+04   -2.97476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65866e+04   -2.44614e+06    4.81124e+05   -1.96501e+06    2.28790e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11921e+02   -2.06452e+02   -7.51366e+01    5.64604e-06


DD  step 216504999 load imb.: force 15.5%  pme mesh/force 0.723
           Step           Time
      216505000   433010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70366e+03    1.94558e+04    1.29622e+04    1.13233e+03   -2.98556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94495e+03    9.33919e+04    4.00131e+05   -2.33487e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65980e+04   -2.44773e+06    4.77931e+05   -1.96980e+06    2.28796e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09851e+02   -2.06624e+02    2.82210e+01    5.85721e-06


DD  step 216509999 load imb.: force 14.9%  pme mesh/force 0.778
           Step           Time
      216510000   433020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89546e+03    1.94931e+04    1.30724e+04    1.16355e+03   -3.06761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77967e+03    9.31351e+04    4.04518e+05   -2.33658e+04   -2.98124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65609e+04   -2.44705e+06    4.80379e+05   -1.96668e+06    2.28802e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11438e+02   -2.06925e+02    1.09298e+02    5.57167e-06


DD  step 216514999 load imb.: force 13.2%  pme mesh/force 0.729
           Step           Time
      216515000   433030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03467e+03    1.93869e+04    1.31913e+04    1.16462e+03   -3.18311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88027e+03    9.31321e+04    4.02158e+05   -2.34274e+04   -2.97971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64806e+04   -2.44789e+06    4.79525e+05   -1.96836e+06    2.28808e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.08017e+02    3.50877e+01    5.74676e-06


DD  step 216519999 load imb.: force 16.1%  pme mesh/force 0.787
           Step           Time
      216520000   433040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07850e+03    1.88316e+04    1.31623e+04    1.19883e+03   -3.15696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98927e+03    9.33403e+04    4.02588e+05   -2.34158e+04   -2.98376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63117e+04   -2.45184e+06    4.80538e+05   -1.97130e+06    2.28813e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.07811e+02    5.08603e+01    5.86707e-06


DD  step 216524999 load imb.: force 15.1%  pme mesh/force 0.757
           Step           Time
      216525000   433050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87976e+03    1.94923e+04    1.32027e+04    1.23141e+03   -3.09713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85390e+03    9.30994e+04    3.97994e+05   -2.33850e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64522e+04   -2.44822e+06    4.78817e+05   -1.96940e+06    2.28820e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.07265e+02   -6.82815e+01    5.68891e-06


DD  step 216529999 load imb.: force 14.7%  pme mesh/force 0.758
           Step           Time
      216530000   433060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08856e+03    1.97159e+04    1.31880e+04    1.18730e+03   -3.09243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82198e+03    9.27347e+04    3.99363e+05   -2.33686e+04   -2.97437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63273e+04   -2.44541e+06    4.80817e+05   -1.96459e+06    2.28825e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.06975e+02   -2.96218e+01    5.85049e-06


DD  step 216534999 load imb.: force 12.2%  pme mesh/force 0.685
           Step           Time
      216535000   433070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83947e+03    1.94486e+04    1.28548e+04    1.12028e+03   -3.18451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88898e+03    9.30629e+04    4.02876e+05   -2.33672e+04   -2.98016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65343e+04   -2.44809e+06    4.80712e+05   -1.96738e+06    2.28831e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11654e+02   -2.06951e+02    1.25097e+02    5.85325e-06


DD  step 216539999 load imb.: force 11.8%  pme mesh/force 0.712
           Step           Time
      216540000   433080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12319e+03    1.96652e+04    1.31374e+04    1.15729e+03   -3.08781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97995e+03    9.30177e+04    3.99479e+05   -2.33707e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65563e+04   -2.44694e+06    4.81850e+05   -1.96509e+06    2.28837e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12392e+02   -2.07011e+02   -6.25182e+00    5.75142e-06


DD  step 216544999 load imb.: force 12.8%  pme mesh/force 0.727
           Step           Time
      216545000   433090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96541e+03    1.92563e+04    1.31119e+04    1.15333e+03   -3.17379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73232e+03    9.33102e+04    4.01513e+05   -2.34247e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64508e+04   -2.44624e+06    4.78387e+05   -1.96785e+06    2.28842e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10147e+02   -2.07969e+02    5.66293e+01    5.79527e-06


DD  step 216549999 load imb.: force 14.9%  pme mesh/force 0.755
           Step           Time
      216550000   433100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20257e+03    1.94578e+04    1.30690e+04    1.18973e+03   -3.10843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75806e+03    9.30463e+04    4.01057e+05   -2.33875e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64392e+04   -2.44887e+06    4.79998e+05   -1.96888e+06    2.28848e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11191e+02   -2.07309e+02   -2.66897e+01    5.76227e-06


DD  step 216554999 load imb.: force 13.1%  pme mesh/force 0.746
           Step           Time
      216555000   433110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03192e+03    1.94754e+04    1.30933e+04    1.23889e+03   -3.14487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82252e+03    9.31925e+04    4.00936e+05   -2.33764e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63858e+04   -2.44747e+06    4.79350e+05   -1.96812e+06    2.28854e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10771e+02   -2.07113e+02   -3.71153e+01    5.65224e-06


DD  step 216559999 load imb.: force 12.7%  pme mesh/force 0.746
           Step           Time
      216560000   433120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02072e+03    1.93263e+04    1.31063e+04    1.16098e+03   -3.07390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92141e+03    9.32676e+04    4.00074e+05   -2.34198e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65848e+04   -2.44724e+06    4.78931e+05   -1.96830e+06    2.28860e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.07882e+02   -2.73538e+01    5.65460e-06


DD  step 216564999 load imb.: force 13.8%  pme mesh/force 0.771
           Step           Time
      216565000   433130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25752e+03    1.96640e+04    1.29704e+04    1.22422e+03   -3.06302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89064e+03    9.27915e+04    4.04394e+05   -2.33739e+04   -2.98072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64253e+04   -2.44654e+06    4.81617e+05   -1.96492e+06    2.28866e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12241e+02   -2.07069e+02    1.01325e+02    5.77897e-06


DD  step 216569999 load imb.: force 13.1%  pme mesh/force 0.744
           Step           Time
      216570000   433140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04154e+03    1.88588e+04    1.32198e+04    1.12260e+03   -3.12131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87877e+03    9.31298e+04    3.99995e+05   -2.33768e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65478e+04   -2.44675e+06    4.80326e+05   -1.96642e+06    2.28871e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.07119e+02    5.07965e+00    5.62523e-06


DD  step 216574999 load imb.: force 13.1%  pme mesh/force 0.750
           Step           Time
      216575000   433150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22206e+03    1.92894e+04    1.28585e+04    1.15270e+03   -3.03629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87808e+03    9.33904e+04    4.03218e+05   -2.33793e+04   -2.98078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64214e+04   -2.44777e+06    4.81085e+05   -1.96668e+06    2.28878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11896e+02   -2.07164e+02    5.46599e+01    5.75620e-06


DD  step 216579999 load imb.: force 16.4%  pme mesh/force 0.756
           Step           Time
      216580000   433160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15825e+03    1.96678e+04    1.31209e+04    1.19023e+03   -2.97549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74918e+03    9.32110e+04    4.01535e+05   -2.33978e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63952e+04   -2.44603e+06    4.80192e+05   -1.96584e+06    2.28883e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11317e+02   -2.07491e+02    6.40617e+01    5.95525e-06


DD  step 216584999 load imb.: force 13.4%  pme mesh/force 0.703
           Step           Time
      216585000   433170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17935e+03    1.93576e+04    1.30607e+04    1.14920e+03   -3.07099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71164e+03    9.26953e+04    4.02545e+05   -2.33662e+04   -2.98097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66189e+04   -2.44909e+06    4.79427e+05   -1.96966e+06    2.28889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.06932e+02   -1.90211e+01    5.73048e-06


DD  step 216589999 load imb.: force 14.6%  pme mesh/force 0.754
           Step           Time
      216590000   433180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26613e+03    1.91236e+04    1.30963e+04    1.16163e+03   -3.13140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79263e+03    9.33288e+04    4.00157e+05   -2.33595e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65922e+04   -2.44750e+06    4.80888e+05   -1.96662e+06    2.28894e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11768e+02   -2.06814e+02   -4.35857e+01    5.63279e-06


DD  step 216594999 load imb.: force 13.9%  pme mesh/force 0.736
           Step           Time
      216595000   433190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83378e+03    1.96416e+04    1.31354e+04    1.24454e+03   -3.07640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60701e+03    9.26861e+04    3.98954e+05   -2.33757e+04   -2.97505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65023e+04   -2.44689e+06    4.78229e+05   -1.96866e+06    2.28900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.07101e+02   -4.85143e+01    5.75826e-06


DD  step 216599999 load imb.: force 15.0%  pme mesh/force 0.769
           Step           Time
      216600000   433200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95658e+03    1.90922e+04    1.32279e+04    1.18731e+03   -3.02532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82735e+03    9.33037e+04    4.01472e+05   -2.33867e+04   -2.98234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62571e+04   -2.45143e+06    4.78874e+05   -1.97256e+06    2.28906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10462e+02   -2.07296e+02   -4.04070e+01    5.71440e-06


DD  step 216604999 load imb.: force 13.2%  pme mesh/force 0.730
           Step           Time
      216605000   433210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03788e+03    1.94284e+04    1.31111e+04    1.16413e+03   -2.99608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76653e+03    9.27466e+04    3.99891e+05   -2.33963e+04   -2.97951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65533e+04   -2.45020e+06    4.79845e+05   -1.97036e+06    2.28912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11092e+02   -2.07465e+02   -5.31563e+01    5.77923e-06


DD  step 216609999 load imb.: force 15.1%  pme mesh/force 0.756
           Step           Time
      216610000   433220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06131e+03    1.94736e+04    1.30258e+04    1.12403e+03   -3.12097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71115e+03    9.27301e+04    4.03088e+05   -2.33947e+04   -2.98185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65366e+04   -2.44962e+06    4.77989e+05   -1.97163e+06    2.28918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09889e+02   -2.07437e+02    4.11019e+01    5.83647e-06


DD  step 216614999 load imb.: force 13.0%  pme mesh/force 0.739
           Step           Time
      216615000   433230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11977e+03    1.95010e+04    1.31628e+04    1.19021e+03   -3.07492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83264e+03    9.22519e+04    4.04308e+05   -2.34208e+04   -2.97922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65709e+04   -2.44578e+06    4.79785e+05   -1.96599e+06    2.28924e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11053e+02   -2.07899e+02    1.58761e+02    5.69660e-06


DD  step 216619999 load imb.: force 13.2%  pme mesh/force 0.754
           Step           Time
      216620000   433240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98633e+03    1.90238e+04    1.31640e+04    1.13870e+03   -3.11271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89690e+03    9.25085e+04    4.01682e+05   -2.33722e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65135e+04   -2.44752e+06    4.80340e+05   -1.96718e+06    2.28930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.07039e+02    2.17068e+01    5.85357e-06


DD  step 216624999 load imb.: force 12.6%  pme mesh/force 0.749
           Step           Time
      216625000   433250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01185e+03    1.94154e+04    1.33152e+04    1.20435e+03   -3.15524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83566e+03    9.26881e+04    3.98823e+05   -2.33642e+04   -2.97258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66076e+04   -2.44420e+06    4.79166e+05   -1.96503e+06    2.28935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10652e+02   -2.06896e+02   -4.51853e+01    5.82496e-06


DD  step 216629999 load imb.: force 14.3%  pme mesh/force 0.756
           Step           Time
      216630000   433260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07097e+03    1.93873e+04    1.30483e+04    1.21484e+03   -2.93741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90733e+03    9.28534e+04    3.99331e+05   -2.33147e+04   -2.97406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66579e+04   -2.44484e+06    4.79565e+05   -1.96528e+06    2.28941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.06022e+02   -3.15282e+01    5.65841e-06


DD  step 216634999 load imb.: force 12.9%  pme mesh/force 0.737
           Step           Time
      216635000   433270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12333e+03    1.93447e+04    1.28978e+04    1.21837e+03   -3.05517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74846e+03    9.28759e+04    4.00403e+05   -2.33547e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63992e+04   -2.44642e+06    4.79968e+05   -1.96645e+06    2.28947e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11172e+02   -2.06729e+02   -4.86542e+01    5.77596e-06


DD  step 216639999 load imb.: force 13.1%  pme mesh/force 0.748
           Step           Time
      216640000   433280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02509e+03    1.97366e+04    1.30401e+04    1.11853e+03   -3.06504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81004e+03    9.23408e+04    3.99363e+05   -2.33455e+04   -2.97291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65313e+04   -2.44435e+06    4.79060e+05   -1.96529e+06    2.28953e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.06566e+02   -1.92834e+01    5.83929e-06


DD  step 216644999 load imb.: force 13.8%  pme mesh/force 0.789
           Step           Time
      216645000   433290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14957e+03    1.96498e+04    1.31622e+04    1.23055e+03   -2.99930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86969e+03    9.27357e+04    3.98850e+05   -2.33970e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66307e+04   -2.44777e+06    4.81126e+05   -1.96665e+06    2.28959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11923e+02   -2.07477e+02   -6.09901e+01    5.78271e-06


DD  step 216649999 load imb.: force 13.6%  pme mesh/force 0.737
           Step           Time
      216650000   433300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29457e+03    1.92599e+04    1.31399e+04    1.16070e+03   -3.03540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81447e+03    9.26623e+04    4.01311e+05   -2.33835e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65848e+04   -2.44723e+06    4.80520e+05   -1.96671e+06    2.28965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.07239e+02    2.76342e+01    5.79538e-06


DD  step 216654999 load imb.: force 12.7%  pme mesh/force 0.741
           Step           Time
      216655000   433310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07487e+03    1.90810e+04    1.32343e+04    1.23923e+03   -3.04711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88897e+03    9.31035e+04    4.02728e+05   -2.33820e+04   -2.97989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64005e+04   -2.44756e+06    4.77204e+05   -1.97036e+06    2.28970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09380e+02   -2.07213e+02    2.55794e+01    5.85695e-06


DD  step 216659999 load imb.: force 12.2%  pme mesh/force 0.716
           Step           Time
      216660000   433320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03992e+03    1.93089e+04    1.31553e+04    1.20794e+03   -3.09545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83353e+03    9.20962e+04    4.00223e+05   -2.33940e+04   -2.97647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65748e+04   -2.44752e+06    4.80068e+05   -1.96746e+06    2.28975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11237e+02   -2.07424e+02   -1.98820e+01    5.76220e-06


DD  step 216664999 load imb.: force 13.7%  pme mesh/force 0.762
           Step           Time
      216665000   433330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93492e+03    1.95663e+04    1.32013e+04    1.15995e+03   -3.05369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84573e+03    9.26393e+04    4.02019e+05   -2.33968e+04   -2.98070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64546e+04   -2.44933e+06    4.78230e+05   -1.97110e+06    2.28981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.07475e+02    2.42250e+01    5.84692e-06


DD  step 216669999 load imb.: force 12.2%  pme mesh/force 0.740
           Step           Time
      216670000   433340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18868e+03    1.96305e+04    1.30200e+04    1.18552e+03   -2.93300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78963e+03    9.25591e+04    3.98143e+05   -2.33681e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63881e+04   -2.44639e+06    4.81134e+05   -1.96526e+06    2.28987e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11928e+02   -2.06966e+02   -2.52710e+01    5.78275e-06


DD  step 216674999 load imb.: force 12.9%  pme mesh/force 0.724
           Step           Time
      216675000   433350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74062e+03    1.95463e+04    1.32332e+04    1.24444e+03   -3.06071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88311e+03    9.26126e+04    4.04650e+05   -2.33878e+04   -2.98356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65952e+04   -2.44950e+06    4.80326e+05   -1.96918e+06    2.28992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.07315e+02    1.01844e+02    5.84884e-06


DD  step 216679999 load imb.: force 12.6%  pme mesh/force 0.727
           Step           Time
      216680000   433360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04698e+03    1.92134e+04    1.33195e+04    1.23482e+03   -3.07215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88334e+03    9.26747e+04    3.98749e+05   -2.34257e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64433e+04   -2.44888e+06    4.79063e+05   -1.96982e+06    2.28999e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.07987e+02   -2.63013e+01    5.64054e-06


DD  step 216684999 load imb.: force 13.6%  pme mesh/force 0.710
           Step           Time
      216685000   433370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98034e+03    1.91450e+04    1.32239e+04    1.27428e+03   -3.04204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76351e+03    9.33567e+04    4.01080e+05   -2.33614e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66424e+04   -2.44607e+06    4.79963e+05   -1.96611e+06    2.29004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11169e+02   -2.06848e+02   -2.91759e+01    5.74567e-06


DD  step 216689999 load imb.: force 12.6%  pme mesh/force 0.735
           Step           Time
      216690000   433380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97955e+03    1.93376e+04    1.31215e+04    1.18512e+03   -2.97691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82232e+03    9.30520e+04    4.01934e+05   -2.33806e+04   -2.97937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66861e+04   -2.44761e+06    4.77736e+05   -1.96987e+06    2.29010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09725e+02   -2.07188e+02    2.24050e+01    5.92663e-06


DD  step 216694999 load imb.: force 12.7%  pme mesh/force 0.734
           Step           Time
      216695000   433390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27325e+03    1.90513e+04    1.32016e+04    1.19824e+03   -3.11929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76068e+03    9.27349e+04    4.01238e+05   -2.33291e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64108e+04   -2.44543e+06    4.80463e+05   -1.96497e+06    2.29016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11493e+02   -2.06277e+02   -2.97802e+01    5.86120e-06


DD  step 216699999 load imb.: force 14.0%  pme mesh/force 0.721
           Step           Time
      216700000   433400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16408e+03    1.94047e+04    1.30330e+04    1.19214e+03   -3.03207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76800e+03    9.28104e+04    4.02632e+05   -2.33862e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65852e+04   -2.44590e+06    4.80630e+05   -1.96527e+06    2.29022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.07287e+02    6.60254e+01    5.87766e-06


DD  step 216704999 load imb.: force 11.6%  pme mesh/force 0.707
           Step           Time
      216705000   433410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22454e+03    1.93484e+04    1.29952e+04    1.16701e+03   -2.97523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81810e+03    9.24572e+04    3.99344e+05   -2.33536e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63368e+04   -2.44726e+06    4.77220e+05   -1.97004e+06    2.29028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09390e+02   -2.06709e+02   -9.74188e+01    5.67440e-06


DD  step 216709999 load imb.: force 12.1%  pme mesh/force 0.694
           Step           Time
      216710000   433420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98646e+03    1.93829e+04    1.31710e+04    1.18004e+03   -3.03604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99065e+03    9.29886e+04    3.99869e+05   -2.33911e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63001e+04   -2.44478e+06    4.80455e+05   -1.96432e+06    2.29033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.07374e+02    2.59294e+01    5.82443e-06


DD  step 216714999 load imb.: force 11.3%  pme mesh/force 0.699
           Step           Time
      216715000   433430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20862e+03    1.93278e+04    1.31302e+04    1.21379e+03   -3.12555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82822e+03    9.36032e+04    4.00425e+05   -2.33648e+04   -2.97737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66308e+04   -2.44649e+06    4.80616e+05   -1.96587e+06    2.29039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11592e+02   -2.06909e+02    5.27237e+00    5.78687e-06


DD  step 216719999 load imb.: force 11.8%  pme mesh/force 0.620
           Step           Time
      216720000   433440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05963e+03    1.90995e+04    1.30211e+04    1.14017e+03   -3.10559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88103e+03    9.30718e+04    3.97720e+05   -2.33587e+04   -2.97278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64977e+04   -2.44575e+06    4.78210e+05   -1.96754e+06    2.29045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10032e+02   -2.06800e+02   -8.66890e+01    5.72956e-06


DD  step 216724999 load imb.: force 14.1%  pme mesh/force 0.789
           Step           Time
      216725000   433450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91683e+03    1.91999e+04    1.30554e+04    1.20155e+03   -2.99449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00748e+03    9.33461e+04    3.99467e+05   -2.34140e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64852e+04   -2.44752e+06    4.78735e+05   -1.96878e+06    2.29051e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.07779e+02    8.32445e+00    5.97364e-06


DD  step 216729999 load imb.: force 13.5%  pme mesh/force 0.738
           Step           Time
      216730000   433460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86086e+03    1.90449e+04    1.32672e+04    1.18374e+03   -3.08072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87982e+03    9.33343e+04    4.03872e+05   -2.34022e+04   -2.98252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64037e+04   -2.44915e+06    4.79195e+05   -1.96996e+06    2.29057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10671e+02   -2.07570e+02    9.86527e+01    5.71224e-06


DD  step 216734999 load imb.: force 11.5%  pme mesh/force 0.724
           Step           Time
      216735000   433470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85062e+03    1.95548e+04    1.32224e+04    1.23654e+03   -3.00186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83564e+03    9.28987e+04    4.00719e+05   -2.34014e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64395e+04   -2.44712e+06    4.80588e+05   -1.96654e+06    2.29063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11574e+02   -2.07556e+02   -1.38645e+01    5.69890e-06


DD  step 216739999 load imb.: force 12.9%  pme mesh/force 0.722
           Step           Time
      216740000   433480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06747e+03    1.97576e+04    1.29987e+04    1.14996e+03   -3.16014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83101e+03    9.30780e+04    4.01239e+05   -2.33917e+04   -2.97830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63378e+04   -2.44739e+06    4.80540e+05   -1.96685e+06    2.29069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.07385e+02    2.06981e+01    6.00671e-06


DD  step 216744999 load imb.: force 12.3%  pme mesh/force 0.737
           Step           Time
      216745000   433490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19593e+03    1.92588e+04    1.28831e+04    1.18240e+03   -3.05061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84162e+03    9.33243e+04    4.01937e+05   -2.33969e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65002e+04   -2.44682e+06    4.80173e+05   -1.96665e+06    2.29074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.07476e+02    6.50479e+01    5.77300e-06


DD  step 216749999 load imb.: force 12.3%  pme mesh/force 0.717
           Step           Time
      216750000   433500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74182e+03    1.95511e+04    1.31811e+04    1.19982e+03   -3.06258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80034e+03    9.31276e+04    3.98786e+05   -2.33786e+04   -2.97481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64402e+04   -2.44642e+06    4.79192e+05   -1.96723e+06    2.29080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10669e+02   -2.07153e+02   -3.78526e+01    5.85328e-06


DD  step 216754999 load imb.: force 13.1%  pme mesh/force 0.716
           Step           Time
      216755000   433510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24039e+03    1.94326e+04    1.33369e+04    1.26548e+03   -3.19576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76172e+03    9.31520e+04    4.00961e+05   -2.33664e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64131e+04   -2.44600e+06    4.80081e+05   -1.96592e+06    2.29086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11245e+02   -2.06936e+02   -1.45450e+01    5.81284e-06


DD  step 216759999 load imb.: force 14.0%  pme mesh/force 0.731
           Step           Time
      216760000   433520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17770e+03    1.93917e+04    1.29223e+04    1.16496e+03   -3.06797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72810e+03    9.27768e+04    4.02389e+05   -2.34240e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64528e+04   -2.44636e+06    4.78882e+05   -1.96747e+06    2.29092e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10468e+02   -2.07957e+02    4.08839e+01    5.54863e-06


DD  step 216764999 load imb.: force 12.4%  pme mesh/force 0.702
           Step           Time
      216765000   433530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05166e+03    1.94653e+04    1.30603e+04    1.17812e+03   -3.10348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82804e+03    9.31744e+04    4.01107e+05   -2.33175e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66315e+04   -2.44382e+06    4.79977e+05   -1.96384e+06    2.29097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11178e+02   -2.06072e+02    1.38048e+01    5.78658e-06


DD  step 216769999 load imb.: force 12.0%  pme mesh/force 0.721
           Step           Time
      216770000   433540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02648e+03    1.95053e+04    1.31342e+04    1.30426e+03   -3.17507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84804e+03    9.28437e+04    4.00324e+05   -2.34030e+04   -2.97732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65982e+04   -2.44731e+06    4.81215e+05   -1.96610e+06    2.29104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11980e+02   -2.07585e+02    3.86961e+01    5.79967e-06


DD  step 216774999 load imb.: force 12.3%  pme mesh/force 0.714
           Step           Time
      216775000   433550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21473e+03    1.93052e+04    1.30816e+04    1.20873e+03   -3.03462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75258e+03    9.29510e+04    4.00104e+05   -2.33571e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64723e+04   -2.44592e+06    4.78703e+05   -1.96722e+06    2.29109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10352e+02   -2.06772e+02   -2.33116e+01    5.61678e-06


DD  step 216779999 load imb.: force 12.3%  pme mesh/force 0.704
           Step           Time
      216780000   433560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93962e+03    1.97591e+04    1.32119e+04    1.30239e+03   -3.09578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81006e+03    9.27554e+04    4.02877e+05   -2.33923e+04   -2.98048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64658e+04   -2.44784e+06    4.81867e+05   -1.96598e+06    2.29115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12403e+02   -2.07395e+02    4.46772e+01    5.82425e-06


DD  step 216784999 load imb.: force 11.6%  pme mesh/force 0.710
           Step           Time
      216785000   433570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05280e+03    1.90933e+04    1.31025e+04    1.24484e+03   -3.08406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85983e+03    9.30504e+04    3.97972e+05   -2.33190e+04   -2.97359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66170e+04   -2.44600e+06    4.79350e+05   -1.96665e+06    2.29121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10771e+02   -2.06099e+02   -4.50637e+01    5.79081e-06


DD  step 216789999 load imb.: force 13.9%  pme mesh/force 0.750
           Step           Time
      216790000   433580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01303e+03    1.92301e+04    1.29791e+04    1.25093e+03   -3.08242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86633e+03    9.36468e+04    4.00974e+05   -2.33323e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63383e+04   -2.44585e+06    4.79501e+05   -1.96635e+06    2.29126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.06334e+02    1.81146e+01    5.76640e-06


DD  step 216794999 load imb.: force 12.2%  pme mesh/force 0.718
           Step           Time
      216795000   433590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95357e+03    1.95852e+04    1.29332e+04    1.21195e+03   -3.11604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85090e+03    9.31266e+04    3.96703e+05   -2.33890e+04   -2.97254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63726e+04   -2.44631e+06    4.78646e+05   -1.96766e+06    2.29132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10315e+02   -2.07337e+02   -1.21809e+02    5.77871e-06


DD  step 216799999 load imb.: force 12.7%  pme mesh/force 0.720
           Step           Time
      216800000   433600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90116e+03    1.92135e+04    1.31733e+04    1.25753e+03   -3.09700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75109e+03    9.37584e+04    3.99558e+05   -2.33804e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65745e+04   -2.44586e+06    4.80963e+05   -1.96490e+06    2.29138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.07183e+02   -3.91345e+01    5.63918e-06


DD  step 216804999 load imb.: force 13.7%  pme mesh/force 0.734
           Step           Time
      216805000   433610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99303e+03    1.94244e+04    1.32497e+04    1.16362e+03   -3.04475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84539e+03    9.29910e+04    4.00429e+05   -2.34558e+04   -2.97989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65119e+04   -2.44978e+06    4.79009e+05   -1.97077e+06    2.29144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10550e+02   -2.08521e+02    3.69744e+01    5.69965e-06


DD  step 216809999 load imb.: force 12.5%  pme mesh/force 0.717
           Step           Time
      216810000   433620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00024e+03    1.93919e+04    1.30511e+04    1.23190e+03   -3.08529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84693e+03    9.31487e+04    4.05276e+05   -2.34405e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63980e+04   -2.44689e+06    4.77348e+05   -1.96954e+06    2.29150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09473e+02   -2.08249e+02    1.52851e+02    5.79259e-06

Writing checkpoint, step 216813100 at Tue Nov  7 17:01:28 2023



DD  step 216814999 load imb.: force 13.1%  pme mesh/force 0.708
           Step           Time
      216815000   433630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79076e+03    1.94528e+04    1.30648e+04    1.15933e+03   -3.12553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79150e+03    9.30819e+04    4.00006e+05   -2.34256e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66450e+04   -2.44825e+06    4.79431e+05   -1.96882e+06    2.29155e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10824e+02   -2.07984e+02   -6.39346e+00    5.59855e-06


DD  step 216819999 load imb.: force 13.1%  pme mesh/force 0.733
           Step           Time
      216820000   433640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72926e+03    1.93769e+04    1.31110e+04    1.25700e+03   -2.98216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82801e+03    9.29423e+04    4.02123e+05   -2.34572e+04   -2.98053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65814e+04   -2.44902e+06    4.80663e+05   -1.96835e+06    2.29161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11623e+02   -2.08545e+02    9.07911e+01    5.58453e-06


DD  step 216824999 load imb.: force 13.6%  pme mesh/force 0.725
           Step           Time
      216825000   433650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05893e+03    1.93652e+04    1.32933e+04    1.24965e+03   -3.14008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82414e+03    9.31929e+04    4.02027e+05   -2.34203e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65120e+04   -2.44799e+06    4.78692e+05   -1.96930e+06    2.29167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10345e+02   -2.07891e+02    6.13848e+01    5.84889e-06


DD  step 216829999 load imb.: force 13.8%  pme mesh/force 0.734
           Step           Time
      216830000   433660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06405e+03    1.97749e+04    1.29582e+04    1.23614e+03   -3.10168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91524e+03    9.30069e+04    4.02139e+05   -2.34249e+04   -2.98122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63650e+04   -2.44929e+06    4.78766e+05   -1.97052e+06    2.29173e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.07972e+02    1.12553e+02    5.82449e-06


DD  step 216834999 load imb.: force 12.6%  pme mesh/force 0.743
           Step           Time
      216835000   433670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80812e+03    1.94840e+04    1.31054e+04    1.18633e+03   -3.08564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66510e+03    9.30116e+04    4.00875e+05   -2.33608e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66977e+04   -2.44509e+06    4.81911e+05   -1.96318e+06    2.29178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12431e+02   -2.06838e+02    1.54449e+01    5.85069e-06


DD  step 216839999 load imb.: force 12.0%  pme mesh/force 0.720
           Step           Time
      216840000   433680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86509e+03    1.91760e+04    1.29640e+04    1.16216e+03   -3.04509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97640e+03    9.28471e+04    4.03407e+05   -2.33738e+04   -2.98068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65338e+04   -2.44817e+06    4.80567e+05   -1.96760e+06    2.29184e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11560e+02   -2.07068e+02    1.25510e+02    5.66783e-06


DD  step 216844999 load imb.: force 12.4%  pme mesh/force 0.731
           Step           Time
      216845000   433690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12858e+03    1.99156e+04    1.29784e+04    1.17463e+03   -3.13697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91208e+03    9.31596e+04    3.98994e+05   -2.33392e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65414e+04   -2.44640e+06    4.79899e+05   -1.96650e+06    2.29190e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11127e+02   -2.06456e+02   -6.02568e+01    5.83322e-06


DD  step 216849999 load imb.: force 12.3%  pme mesh/force 0.714
           Step           Time
      216850000   433700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99337e+03    1.94899e+04    1.30306e+04    1.17205e+03   -3.03761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79059e+03    9.29170e+04    4.01515e+05   -2.33998e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66479e+04   -2.44624e+06    4.79595e+05   -1.96664e+06    2.29195e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.07528e+02    6.21236e+01    5.80786e-06


DD  step 216854999 load imb.: force 13.8%  pme mesh/force 0.749
           Step           Time
      216855000   433710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13146e+03    1.95631e+04    1.31135e+04    1.25619e+03   -3.14354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83084e+03    9.29456e+04    4.00292e+05   -2.33220e+04   -2.97462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66705e+04   -2.44428e+06    4.81002e+05   -1.96328e+06    2.29201e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11842e+02   -2.06151e+02   -1.08196e+01    6.00002e-06


DD  step 216859999 load imb.: force 13.2%  pme mesh/force 0.720
           Step           Time
      216860000   433720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25955e+03    1.92664e+04    1.30840e+04    1.15370e+03   -3.01295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71541e+03    9.28416e+04    3.98974e+05   -2.33934e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64136e+04   -2.44650e+06    4.79515e+05   -1.96698e+06    2.29207e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10878e+02   -2.07413e+02   -8.86789e+01    5.75827e-06


DD  step 216864999 load imb.: force 13.0%  pme mesh/force 0.734
           Step           Time
      216865000   433730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18987e+03    1.96480e+04    1.32205e+04    1.30010e+03   -3.08479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75887e+03    9.25909e+04    4.00805e+05   -2.33815e+04   -2.97684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63740e+04   -2.44642e+06    4.82128e+05   -1.96429e+06    2.29213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12572e+02   -2.07204e+02   -2.45415e+01    5.94801e-06


DD  step 216869999 load imb.: force 14.1%  pme mesh/force 0.744
           Step           Time
      216870000   433740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11024e+03    1.99246e+04    1.30363e+04    1.31465e+03   -3.02831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78942e+03    9.29775e+04    3.95510e+05   -2.33588e+04   -2.96783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64241e+04   -2.44213e+06    4.80882e+05   -1.96125e+06    2.29219e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11764e+02   -2.06801e+02   -8.01753e+01    5.65849e-06


DD  step 216874999 load imb.: force 12.4%  pme mesh/force 0.714
           Step           Time
      216875000   433750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08751e+03    1.94668e+04    1.30627e+04    1.15946e+03   -3.04717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93684e+03    9.29227e+04    3.98654e+05   -2.34447e+04   -2.97531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62329e+04   -2.44728e+06    4.80602e+05   -1.96668e+06    2.29225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11583e+02   -2.08323e+02    2.95666e+01    5.93727e-06


DD  step 216879999 load imb.: force 13.8%  pme mesh/force 0.747
           Step           Time
      216880000   433760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09965e+03    1.94891e+04    1.30221e+04    1.18942e+03   -3.06538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80789e+03    9.29870e+04    3.97470e+05   -2.34265e+04   -2.97111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63941e+04   -2.44415e+06    4.80312e+05   -1.96384e+06    2.29230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11395e+02   -2.08001e+02   -2.11226e+01    5.80212e-06


DD  step 216884999 load imb.: force 13.9%  pme mesh/force 0.709
           Step           Time
      216885000   433770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11894e+03    1.91956e+04    1.29682e+04    1.24826e+03   -3.07174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80921e+03    9.31580e+04    3.98543e+05   -2.34199e+04   -2.97380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65565e+04   -2.44569e+06    4.80170e+05   -1.96552e+06    2.29236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.07884e+02   -1.69251e+01    5.77266e-06


DD  step 216889999 load imb.: force 13.7%  pme mesh/force 0.757
           Step           Time
      216890000   433780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67497e+03    1.92684e+04    1.32274e+04    1.17990e+03   -3.14740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96871e+03    9.35145e+04    4.04213e+05   -2.34115e+04   -2.98618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63887e+04   -2.45230e+06    4.80955e+05   -1.97135e+06    2.29241e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11811e+02   -2.07735e+02    1.62383e+02    5.92693e-06


DD  step 216894999 load imb.: force 12.7%  pme mesh/force 0.707
           Step           Time
      216895000   433790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15320e+03    1.95893e+04    1.30434e+04    1.16189e+03   -2.99631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78019e+03    9.30395e+04    3.99639e+05   -2.33494e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65613e+04   -2.44588e+06    4.79103e+05   -1.96678e+06    2.29248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10611e+02   -2.06635e+02   -5.23041e+01    5.66355e-06


DD  step 216899999 load imb.: force 13.9%  pme mesh/force 0.718
           Step           Time
      216900000   433800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79429e+03    1.96861e+04    1.29625e+04    1.11115e+03   -3.03723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88437e+03    9.29350e+04    4.00817e+05   -2.34074e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65286e+04   -2.44714e+06    4.78626e+05   -1.96852e+06    2.29254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10302e+02   -2.07661e+02    5.34462e+01    5.88902e-06


DD  step 216904999 load imb.: force 12.6%  pme mesh/force 0.698
           Step           Time
      216905000   433810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66010e+03    1.94844e+04    1.31646e+04    1.16712e+03   -3.12772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83565e+03    9.28486e+04    4.02573e+05   -2.33825e+04   -2.97956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66419e+04   -2.44770e+06    4.81143e+05   -1.96655e+06    2.29259e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11934e+02   -2.07221e+02    3.84483e+01    5.87039e-06


DD  step 216909999 load imb.: force 13.3%  pme mesh/force 0.722
           Step           Time
      216910000   433820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72007e+03    1.94473e+04    1.30527e+04    1.27533e+03   -3.00165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71261e+03    9.35488e+04    4.01874e+05   -2.33649e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65105e+04   -2.44699e+06    4.77503e+05   -1.96949e+06    2.29265e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09574e+02   -2.06909e+02    2.00316e+01    5.95848e-06


DD  step 216914999 load imb.: force 13.3%  pme mesh/force 0.728
           Step           Time
      216915000   433830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05618e+03    1.95302e+04    1.29193e+04    1.18763e+03   -3.02073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75502e+03    9.30038e+04    3.98801e+05   -2.33360e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65899e+04   -2.45031e+06    4.79472e+05   -1.97084e+06    2.29271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10850e+02   -2.06399e+02   -1.00638e+02    5.73055e-06


DD  step 216919999 load imb.: force 13.7%  pme mesh/force 0.721
           Step           Time
      216920000   433840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02425e+03    1.93355e+04    1.31975e+04    1.21955e+03   -3.06533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80358e+03    9.25715e+04    4.00188e+05   -2.33797e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64492e+04   -2.44727e+06    4.80223e+05   -1.96705e+06    2.29276e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.07171e+02   -3.71109e+01    5.73678e-06


DD  step 216924999 load imb.: force 12.6%  pme mesh/force 0.698
           Step           Time
      216925000   433850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07787e+03    1.92769e+04    1.31669e+04    1.17885e+03   -3.15181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86812e+03    9.31107e+04    4.00858e+05   -2.33743e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63865e+04   -2.44807e+06    4.78027e+05   -1.97004e+06    2.29283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09913e+02   -2.07076e+02   -1.34717e+01    5.94541e-06


DD  step 216929999 load imb.: force 12.9%  pme mesh/force 0.731
           Step           Time
      216930000   433860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02112e+03    1.93509e+04    1.30830e+04    1.18246e+03   -3.01320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79039e+03    9.29945e+04    4.01232e+05   -2.33738e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63228e+04   -2.44774e+06    4.80131e+05   -1.96761e+06    2.29288e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.07067e+02   -1.16101e+01    5.90881e-06


DD  step 216934999 load imb.: force 12.5%  pme mesh/force 0.705
           Step           Time
      216935000   433870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80648e+03    1.97017e+04    1.29713e+04    1.14785e+03   -3.05243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91229e+03    9.28929e+04    3.97987e+05   -2.33807e+04   -2.97427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63780e+04   -2.44691e+06    4.80251e+05   -1.96666e+06    2.29294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11355e+02   -2.07189e+02   -5.17273e+01    5.70657e-06


DD  step 216939999 load imb.: force 14.5%  pme mesh/force 0.744
           Step           Time
      216940000   433880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99189e+03    1.96344e+04    1.31201e+04    1.16869e+03   -3.09866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81016e+03    9.27666e+04    4.00068e+05   -2.34042e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65057e+04   -2.44867e+06    4.77972e+05   -1.97070e+06    2.29301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09878e+02   -2.07606e+02   -1.47082e+01    5.79596e-06


DD  step 216944999 load imb.: force 12.5%  pme mesh/force 0.696
           Step           Time
      216945000   433890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03545e+03    1.91997e+04    1.31193e+04    1.17791e+03   -2.99686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87889e+03    9.30300e+04    4.00118e+05   -2.33947e+04   -2.97866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64653e+04   -2.44903e+06    4.80335e+05   -1.96869e+06    2.29306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.07436e+02    1.39868e+01    5.79458e-06


DD  step 216949999 load imb.: force 14.0%  pme mesh/force 0.755
           Step           Time
      216950000   433900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89127e+03    1.94807e+04    1.31217e+04    1.14767e+03   -3.09672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98443e+03    9.31156e+04    3.99865e+05   -2.33880e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64072e+04   -2.44738e+06    4.79231e+05   -1.96815e+06    2.29312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10694e+02   -2.07318e+02    1.41368e+00    5.63652e-06


DD  step 216954999 load imb.: force 15.3%  pme mesh/force 0.721
           Step           Time
      216955000   433910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08978e+03    1.97332e+04    1.32272e+04    1.19808e+03   -3.06200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73920e+03    9.28491e+04    4.00203e+05   -2.33505e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64246e+04   -2.44766e+06    4.80834e+05   -1.96683e+06    2.29318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11734e+02   -2.06655e+02   -4.88214e+01    5.79471e-06


DD  step 216959999 load imb.: force 13.4%  pme mesh/force 0.741
           Step           Time
      216960000   433920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00130e+03    2.00076e+04    1.29521e+04    1.13679e+03   -2.99335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84934e+03    9.27207e+04    4.02023e+05   -2.33494e+04   -2.97501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66134e+04   -2.44305e+06    4.80027e+05   -1.96302e+06    2.29324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.06636e+02    7.50248e+01    5.71404e-06


DD  step 216964999 load imb.: force 14.9%  pme mesh/force 0.738
           Step           Time
      216965000   433930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09164e+03    1.93785e+04    1.30751e+04    1.21128e+03   -2.98810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78321e+03    9.25427e+04    4.00337e+05   -2.33400e+04   -2.97667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65714e+04   -2.44701e+06    4.81076e+05   -1.96594e+06    2.29329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.06469e+02   -4.15653e+01    5.78426e-06


DD  step 216969999 load imb.: force 14.0%  pme mesh/force 0.720
           Step           Time
      216970000   433940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01115e+03    1.92530e+04    1.32284e+04    1.18064e+03   -3.03983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78374e+03    9.29773e+04    4.00677e+05   -2.34042e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65134e+04   -2.44895e+06    4.79002e+05   -1.96995e+06    2.29335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10546e+02   -2.07606e+02   -2.79776e+01    5.63170e-06


DD  step 216974999 load imb.: force 15.1%  pme mesh/force 0.721
           Step           Time
      216975000   433950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09415e+03    1.95185e+04    1.31596e+04    1.08412e+03   -3.05535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90831e+03    9.30519e+04    3.97587e+05   -2.32814e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66365e+04   -2.44674e+06    4.80926e+05   -1.96581e+06    2.29341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11793e+02   -2.05436e+02   -8.99490e+01    5.73800e-06


DD  step 216979999 load imb.: force 13.9%  pme mesh/force 0.696
           Step           Time
      216980000   433960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03798e+03    1.95088e+04    1.31243e+04    1.12370e+03   -3.12076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79513e+03    9.28793e+04    3.99275e+05   -2.33845e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62899e+04   -2.44734e+06    4.80263e+05   -1.96708e+06    2.29347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.07256e+02   -7.21727e+01    5.70824e-06


DD  step 216984999 load imb.: force 13.4%  pme mesh/force 0.695
           Step           Time
      216985000   433970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10599e+03    1.94623e+04    1.32757e+04    1.21499e+03   -3.04764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81162e+03    9.32879e+04    4.02687e+05   -2.33912e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65287e+04   -2.44476e+06    4.81756e+05   -1.96300e+06    2.29352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12331e+02   -2.07374e+02    1.03660e+02    5.99271e-06


DD  step 216989999 load imb.: force 15.0%  pme mesh/force 0.710
           Step           Time
      216990000   433980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04803e+03    1.91969e+04    1.28761e+04    1.17167e+03   -3.03073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76543e+03    9.31531e+04    4.01223e+05   -2.33979e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67887e+04   -2.44845e+06    4.78563e+05   -1.96989e+06    2.29358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10261e+02   -2.07493e+02   -4.87099e+00    5.77741e-06


DD  step 216994999 load imb.: force 15.8%  pme mesh/force 0.741
           Step           Time
      216995000   433990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97022e+03    1.93443e+04    1.30765e+04    1.16823e+03   -3.01538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68392e+03    9.29329e+04    4.00091e+05   -2.33807e+04   -2.97999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63229e+04   -2.45079e+06    4.78544e+05   -1.97225e+06    2.29364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.07189e+02   -9.00262e+01    5.64438e-06


DD  step 216999999 load imb.: force 14.7%  pme mesh/force 0.705
           Step           Time
      217000000   434000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73434e+03    1.97499e+04    1.30460e+04    1.13823e+03   -3.04341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83615e+03    9.34033e+04    3.99702e+05   -2.33603e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64139e+04   -2.44510e+06    4.80480e+05   -1.96462e+06    2.29370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11504e+02   -2.06829e+02    4.81084e+01    5.61553e-06


DD  step 217004999 load imb.: force 15.7%  pme mesh/force 0.730
           Step           Time
      217005000   434010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84383e+03    1.92152e+04    1.30060e+04    1.18894e+03   -3.05491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84038e+03    9.30819e+04    4.01453e+05   -2.33597e+04   -2.97930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63970e+04   -2.44869e+06    4.78852e+05   -1.96983e+06    2.29376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.06817e+02    1.54956e+01    5.80046e-06


DD  step 217009999 load imb.: force 13.6%  pme mesh/force 0.690
           Step           Time
      217010000   434020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96025e+03    1.92929e+04    1.30283e+04    1.17144e+03   -2.99463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86760e+03    9.30964e+04    3.98074e+05   -2.33960e+04   -2.97219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65392e+04   -2.44455e+06    4.79721e+05   -1.96483e+06    2.29382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.07460e+02   -3.33462e+01    5.75520e-06


DD  step 217014999 load imb.: force 14.9%  pme mesh/force 0.728
           Step           Time
      217015000   434030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11386e+03    1.90401e+04    1.30517e+04    1.25613e+03   -3.02669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82077e+03    9.29324e+04    3.98648e+05   -2.33598e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66575e+04   -2.44887e+06    4.79081e+05   -1.96979e+06    2.29387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10597e+02   -2.06819e+02   -8.54967e+01    5.73133e-06


DD  step 217019999 load imb.: force 13.9%  pme mesh/force 0.692
           Step           Time
      217020000   434040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03065e+03    1.93533e+04    1.30290e+04    1.18539e+03   -3.11988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85636e+03    9.30538e+04    4.00680e+05   -2.33828e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63275e+04   -2.44851e+06    4.77644e+05   -1.97087e+06    2.29394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09665e+02   -2.07226e+02    1.89926e+01    5.70093e-06


DD  step 217024999 load imb.: force 14.9%  pme mesh/force 0.737
           Step           Time
      217025000   434050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07089e+03    1.93147e+04    1.30000e+04    1.08697e+03   -3.11951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88282e+03    9.30795e+04    4.01682e+05   -2.34200e+04   -2.98060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63396e+04   -2.44968e+06    4.78895e+05   -1.97078e+06    2.29400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10476e+02   -2.07885e+02    2.70910e+01    5.59945e-06


DD  step 217029999 load imb.: force 15.3%  pme mesh/force 0.719
           Step           Time
      217030000   434060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09981e+03    1.94380e+04    1.32348e+04    1.22523e+03   -3.08321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86006e+03    9.33364e+04    4.00332e+05   -2.33581e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66592e+04   -2.44668e+06    4.80825e+05   -1.96585e+06    2.29405e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11727e+02   -2.06789e+02   -4.94833e+01    5.74030e-06


DD  step 217034999 load imb.: force 13.1%  pme mesh/force 0.724
           Step           Time
      217035000   434070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95883e+03    1.91569e+04    1.31452e+04    1.28317e+03   -2.98602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89617e+03    9.33771e+04    4.00409e+05   -2.33714e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64296e+04   -2.44652e+06    4.80223e+05   -1.96630e+06    2.29410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.07024e+02   -1.56184e+01    5.79384e-06


DD  step 217039999 load imb.: force 13.7%  pme mesh/force 0.708
           Step           Time
      217040000   434080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00602e+03    1.92675e+04    1.30387e+04    1.14918e+03   -3.02417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89515e+03    9.31536e+04    4.01804e+05   -2.33903e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66938e+04   -2.44670e+06    4.80507e+05   -1.96619e+06    2.29416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11521e+02   -2.07360e+02    8.10935e+01    5.86170e-06


DD  step 217044999 load imb.: force 13.0%  pme mesh/force 0.705
           Step           Time
      217045000   434090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75608e+03    1.91800e+04    1.30021e+04    1.20333e+03   -3.01498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87256e+03    9.32534e+04    4.00103e+05   -2.33642e+04   -2.98019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64836e+04   -2.45071e+06    4.79766e+05   -1.97095e+06    2.29422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.06897e+02    1.32916e+01    5.69438e-06


DD  step 217049999 load imb.: force 13.5%  pme mesh/force 0.715
           Step           Time
      217050000   434100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15000e+03    1.96309e+04    1.32267e+04    1.24199e+03   -3.01804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78618e+03    9.29016e+04    4.00332e+05   -2.33752e+04   -2.97737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65084e+04   -2.44698e+06    4.80530e+05   -1.96645e+06    2.29429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11536e+02   -2.07091e+02   -4.40978e+01    5.70736e-06


DD  step 217054999 load imb.: force 13.6%  pme mesh/force 0.705
           Step           Time
      217055000   434110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19494e+03    1.91460e+04    1.29473e+04    1.20400e+03   -2.96465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82585e+03    9.28264e+04    3.98739e+05   -2.34064e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64408e+04   -2.44779e+06    4.77502e+05   -1.97029e+06    2.29434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09573e+02   -2.07645e+02   -7.61372e+01    5.96101e-06


DD  step 217059999 load imb.: force 15.6%  pme mesh/force 0.719
           Step           Time
      217060000   434120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82079e+03    1.97116e+04    1.31045e+04    1.11180e+03   -3.02342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72764e+03    9.30494e+04    3.98666e+05   -2.33906e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64430e+04   -2.44761e+06    4.79031e+05   -1.96858e+06    2.29440e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10564e+02   -2.07365e+02   -5.26202e+01    5.72648e-06


DD  step 217064999 load imb.: force 18.3%  pme mesh/force 0.783
           Step           Time
      217065000   434130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99173e+03    1.97654e+04    1.32892e+04    1.20806e+03   -3.15103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94546e+03    9.29663e+04    3.99182e+05   -2.34388e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67686e+04   -2.44583e+06    4.80676e+05   -1.96515e+06    2.29446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11631e+02   -2.08219e+02    3.48920e+01    5.80868e-06


DD  step 217069999 load imb.: force 13.8%  pme mesh/force 0.700
           Step           Time
      217070000   434140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07221e+03    1.92964e+04    1.31383e+04    1.21835e+03   -3.02966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77166e+03    9.22591e+04    4.04424e+05   -2.33932e+04   -2.98067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66058e+04   -2.44731e+06    4.80117e+05   -1.96720e+06    2.29452e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.07411e+02    6.89115e+01    5.74247e-06


DD  step 217074999 load imb.: force 14.4%  pme mesh/force 0.705
           Step           Time
      217075000   434150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17537e+03    1.92869e+04    1.31267e+04    1.20013e+03   -3.14763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85098e+03    9.27588e+04    4.00243e+05   -2.33708e+04   -2.97386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66517e+04   -2.44409e+06    4.77843e+05   -1.96624e+06    2.29458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09794e+02   -2.07014e+02   -9.45645e+00    5.72084e-06


DD  step 217079999 load imb.: force 13.1%  pme mesh/force 0.689
           Step           Time
      217080000   434160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89219e+03    1.97443e+04    1.30105e+04    1.17865e+03   -3.04013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77701e+03    9.29146e+04    4.02905e+05   -2.34251e+04   -2.98069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64293e+04   -2.44830e+06    4.79839e+05   -1.96846e+06    2.29464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11088e+02   -2.07976e+02    1.25782e+02    5.60639e-06


DD  step 217084999 load imb.: force 15.7%  pme mesh/force 0.756
           Step           Time
      217085000   434170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01168e+03    1.91160e+04    1.30581e+04    1.12672e+03   -3.08683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87396e+03    9.22248e+04    4.01791e+05   -2.33692e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64713e+04   -2.44889e+06    4.79887e+05   -1.96900e+06    2.29469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11119e+02   -2.06985e+02    5.08336e+01    5.86388e-06


DD  step 217089999 load imb.: force 16.0%  pme mesh/force 0.713
           Step           Time
      217090000   434180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93928e+03    1.92588e+04    1.29654e+04    1.21486e+03   -3.06268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87278e+03    9.34506e+04    4.00097e+05   -2.33554e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66562e+04   -2.44539e+06    4.78480e+05   -1.96691e+06    2.29476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10207e+02   -2.06742e+02   -1.05765e+01    5.83585e-06


DD  step 217094999 load imb.: force 14.6%  pme mesh/force 0.702
           Step           Time
      217095000   434190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19544e+03    1.94853e+04    1.31325e+04    1.15784e+03   -3.02159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75634e+03    9.28117e+04    3.99550e+05   -2.33766e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67369e+04   -2.44692e+06    4.78865e+05   -1.96806e+06    2.29482e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10457e+02   -2.07116e+02   -5.39755e+01    5.63899e-06


DD  step 217099999 load imb.: force 14.7%  pme mesh/force 0.714
           Step           Time
      217100000   434200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00303e+03    1.96733e+04    1.29694e+04    1.17682e+03   -3.11720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81884e+03    9.30382e+04    3.98998e+05   -2.33480e+04   -2.97322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66679e+04   -2.44434e+06    4.80542e+05   -1.96380e+06    2.29487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11544e+02   -2.06611e+02   -3.87103e+01    5.76686e-06


DD  step 217104999 load imb.: force 14.8%  pme mesh/force 0.708
           Step           Time
      217105000   434210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92531e+03    2.00690e+04    1.28026e+04    1.14670e+03   -2.88975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72927e+03    9.29779e+04    3.99965e+05   -2.34013e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64172e+04   -2.44697e+06    4.82757e+05   -1.96422e+06    2.29493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12980e+02   -2.07555e+02   -5.90118e-01    5.77559e-06


DD  step 217109999 load imb.: force 14.3%  pme mesh/force 0.724
           Step           Time
      217110000   434220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06906e+03    1.93085e+04    1.31241e+04    1.19460e+03   -2.99265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87566e+03    9.27792e+04    4.03006e+05   -2.34141e+04   -2.98074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65636e+04   -2.44823e+06    4.80176e+05   -1.96805e+06    2.29499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11307e+02   -2.07782e+02    1.01511e+02    5.67298e-06


DD  step 217114999 load imb.: force 15.7%  pme mesh/force 0.760
           Step           Time
      217115000   434230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08235e+03    1.94068e+04    1.29174e+04    1.13799e+03   -3.09666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78581e+03    9.25888e+04    4.00165e+05   -2.34068e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65452e+04   -2.44798e+06    4.80374e+05   -1.96761e+06    2.29505e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.07652e+02    1.38438e+00    5.59692e-06


DD  step 217119999 load imb.: force 13.9%  pme mesh/force 0.713
           Step           Time
      217120000   434240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18778e+03    1.96878e+04    1.30336e+04    1.25766e+03   -3.02857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73912e+03    9.33067e+04    4.00450e+05   -2.34043e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64106e+04   -2.44690e+06    4.78364e+05   -1.96853e+06    2.29511e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10132e+02   -2.07607e+02   -4.96139e+01    5.57374e-06


DD  step 217124999 load imb.: force 14.8%  pme mesh/force 0.720
           Step           Time
      217125000   434250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25708e+03    1.93491e+04    1.28810e+04    1.13797e+03   -3.00064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86948e+03    9.26208e+04    3.99668e+05   -2.33975e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66423e+04   -2.44720e+06    4.80957e+05   -1.96625e+06    2.29517e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.07486e+02   -1.69560e+01    5.63759e-06


DD  step 217129999 load imb.: force 15.8%  pme mesh/force 0.725
           Step           Time
      217130000   434260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82564e+03    1.91989e+04    1.30597e+04    1.24943e+03   -2.92290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95875e+03    9.28862e+04    3.99409e+05   -2.33896e+04   -2.97525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65374e+04   -2.44644e+06    4.77372e+05   -1.96907e+06    2.29522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09489e+02   -2.07346e+02    1.13207e+01    5.66308e-06


DD  step 217134999 load imb.: force 13.7%  pme mesh/force 0.717
           Step           Time
      217135000   434270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11833e+03    1.93423e+04    1.31550e+04    1.21275e+03   -2.88728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94641e+03    9.23911e+04    4.00515e+05   -2.33757e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65953e+04   -2.44779e+06    4.77337e+05   -1.97045e+06    2.29528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09466e+02   -2.07100e+02   -1.44288e+01    5.69792e-06


DD  step 217139999 load imb.: force 15.0%  pme mesh/force 0.708
           Step           Time
      217140000   434280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38323e+03    1.95966e+04    1.30611e+04    1.21705e+03   -3.05709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70870e+03    9.24862e+04    3.99199e+05   -2.34066e+04   -2.97456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65706e+04   -2.44580e+06    4.81020e+05   -1.96478e+06    2.29533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11854e+02   -2.07647e+02   -5.04590e+01    5.65237e-06


DD  step 217144999 load imb.: force 18.1%  pme mesh/force 0.745
           Step           Time
      217145000   434290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11195e+03    1.93479e+04    1.31641e+04    1.16696e+03   -3.01505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78944e+03    9.26706e+04    4.01103e+05   -2.33951e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66931e+04   -2.44542e+06    4.78685e+05   -1.96673e+06    2.29539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.07444e+02    4.42970e+01    5.61955e-06


DD  step 217149999 load imb.: force 16.8%  pme mesh/force 0.739
           Step           Time
      217150000   434300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06272e+03    1.93680e+04    1.31346e+04    1.23712e+03   -2.98875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90285e+03    9.20858e+04    4.01623e+05   -2.33670e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64358e+04   -2.44443e+06    4.78333e+05   -1.96609e+06    2.29545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10112e+02   -2.06947e+02    6.90738e+01    5.69312e-06


DD  step 217154999 load imb.: force 14.2%  pme mesh/force 0.734
           Step           Time
      217155000   434310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90884e+03    1.90501e+04    1.31121e+04    1.13627e+03   -3.04996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86558e+03    9.33463e+04    4.00011e+05   -2.33760e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65456e+04   -2.44840e+06    4.79135e+05   -1.96926e+06    2.29551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.07107e+02   -3.12527e+01    5.61690e-06

Writing checkpoint, step 217157750 at Tue Nov  7 17:16:28 2023



DD  step 217159999 load imb.: force 14.7%  pme mesh/force 0.723
           Step           Time
      217160000   434320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98165e+03    1.96632e+04    1.29603e+04    1.22258e+03   -2.87361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81510e+03    9.28110e+04    4.01330e+05   -2.34408e+04   -2.97978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64688e+04   -2.44884e+06    4.78153e+05   -1.97069e+06    2.29557e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09995e+02   -2.08254e+02    6.93378e+00    5.81367e-06


DD  step 217164999 load imb.: force 14.2%  pme mesh/force 0.717
           Step           Time
      217165000   434330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31211e+03    1.93821e+04    1.32232e+04    1.22907e+03   -2.94311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87705e+03    9.23915e+04    3.99646e+05   -2.33623e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63590e+04   -2.44611e+06    4.79773e+05   -1.96633e+06    2.29563e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11046e+02   -2.06864e+02   -2.35079e+01    5.75949e-06


DD  step 217169999 load imb.: force 14.2%  pme mesh/force 0.751
           Step           Time
      217170000   434340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93816e+03    1.96627e+04    1.31329e+04    1.15680e+03   -3.03842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91625e+03    9.24408e+04    4.01391e+05   -2.33892e+04   -2.97853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63797e+04   -2.44794e+06    4.78789e+05   -1.96915e+06    2.29569e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10407e+02   -2.07340e+02    3.93712e+01    5.69141e-06


DD  step 217174999 load imb.: force 14.3%  pme mesh/force 0.757
           Step           Time
      217175000   434350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91200e+03    1.93224e+04    1.30953e+04    1.15285e+03   -2.96613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78097e+03    9.28995e+04    4.01210e+05   -2.33399e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62925e+04   -2.44826e+06    4.81318e+05   -1.96694e+06    2.29574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12047e+02   -2.06468e+02   -3.84491e+01    5.67754e-06


DD  step 217179999 load imb.: force 16.4%  pme mesh/force 0.748
           Step           Time
      217180000   434360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14868e+03    1.93214e+04    1.30695e+04    1.11591e+03   -3.03853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77526e+03    9.27992e+04    4.02114e+05   -2.33878e+04   -2.98048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63481e+04   -2.44921e+06    4.77362e+05   -1.97185e+06    2.29580e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09482e+02   -2.07315e+02   -1.15884e+01    5.87583e-06


DD  step 217184999 load imb.: force 13.4%  pme mesh/force 0.722
           Step           Time
      217185000   434370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03295e+03    1.93370e+04    1.29948e+04    1.16779e+03   -2.95955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86827e+03    9.29359e+04    3.98646e+05   -2.33636e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63787e+04   -2.44736e+06    4.79375e+05   -1.96798e+06    2.29586e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.06887e+02   -6.35775e+01    5.74445e-06


DD  step 217189999 load imb.: force 15.7%  pme mesh/force 0.773
           Step           Time
      217190000   434380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14409e+03    1.91607e+04    1.32220e+04    1.18251e+03   -3.09157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89964e+03    9.27916e+04    3.99334e+05   -2.33617e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64722e+04   -2.44695e+06    4.79499e+05   -1.96745e+06    2.29591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10868e+02   -2.06853e+02    1.90359e+01    5.74793e-06


DD  step 217194999 load imb.: force 14.6%  pme mesh/force 0.732
           Step           Time
      217195000   434390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12209e+03    1.95821e+04    1.28919e+04    1.21119e+03   -3.03392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78017e+03    9.28220e+04    3.95921e+05   -2.33784e+04   -2.97058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63615e+04   -2.44530e+06    4.80416e+05   -1.96489e+06    2.29597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.07148e+02   -1.47594e+02    5.68132e-06


DD  step 217199999 load imb.: force 14.0%  pme mesh/force 0.702
           Step           Time
      217200000   434400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82094e+03    1.97204e+04    1.31332e+04    1.09658e+03   -3.16512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00594e+03    9.26703e+04    3.98034e+05   -2.34196e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63876e+04   -2.44680e+06    4.78760e+05   -1.96804e+06    2.29604e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10388e+02   -2.07878e+02   -2.76620e+01    5.73951e-06


DD  step 217204999 load imb.: force 14.4%  pme mesh/force 0.726
           Step           Time
      217205000   434410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17756e+03    1.96026e+04    1.31795e+04    1.22011e+03   -3.18937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95277e+03    9.29054e+04    3.99853e+05   -2.33722e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65209e+04   -2.44502e+06    4.79270e+05   -1.96575e+06    2.29610e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10720e+02   -2.07040e+02    2.68495e+01    5.65813e-06


DD  step 217209999 load imb.: force 16.4%  pme mesh/force 0.796
           Step           Time
      217210000   434420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96339e+03    1.93159e+04    1.31985e+04    1.25826e+03   -3.04895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90089e+03    9.26123e+04    4.01695e+05   -2.33816e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64245e+04   -2.44768e+06    4.78428e+05   -1.96925e+06    2.29615e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10174e+02   -2.07205e+02    3.62628e+01    5.82318e-06


DD  step 217214999 load imb.: force 14.2%  pme mesh/force 0.716
           Step           Time
      217215000   434430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34546e+03    1.96749e+04    1.31056e+04    1.15763e+03   -2.92301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76236e+03    9.24846e+04    4.04207e+05   -2.33928e+04   -2.98186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65927e+04   -2.44784e+06    4.81362e+05   -1.96648e+06    2.29621e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12076e+02   -2.07403e+02    1.09544e+02    5.60598e-06


DD  step 217219999 load imb.: force 13.8%  pme mesh/force 0.714
           Step           Time
      217220000   434440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14055e+03    1.93509e+04    1.31291e+04    1.19472e+03   -3.02499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91158e+03    9.28984e+04    4.01856e+05   -2.33318e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64056e+04   -2.44518e+06    4.79438e+05   -1.96574e+06    2.29627e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.06325e+02    1.69380e+01    5.83727e-06


DD  step 217224999 load imb.: force 14.0%  pme mesh/force 0.716
           Step           Time
      217225000   434450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99241e+03    1.96819e+04    1.31826e+04    1.35569e+03   -3.16510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82955e+03    9.32840e+04    3.95835e+05   -2.33115e+04   -2.96937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64616e+04   -2.44322e+06    4.80506e+05   -1.96271e+06    2.29632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.05967e+02   -1.46062e+02    5.71633e-06


DD  step 217229999 load imb.: force 14.7%  pme mesh/force 0.680
           Step           Time
      217230000   434460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91192e+03    1.93563e+04    1.28792e+04    1.13761e+03   -2.98321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84576e+03    9.32923e+04    4.02873e+05   -2.34077e+04   -2.98073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65012e+04   -2.44833e+06    4.80295e+05   -1.96803e+06    2.29638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11384e+02   -2.07668e+02    5.24677e+01    5.69302e-06


DD  step 217234999 load imb.: force 15.1%  pme mesh/force 0.711
           Step           Time
      217235000   434470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05978e+03    1.95418e+04    1.29527e+04    1.17015e+03   -2.93595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73617e+03    9.25687e+04    3.99393e+05   -2.33891e+04   -2.97437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67278e+04   -2.44554e+06    4.79619e+05   -1.96592e+06    2.29644e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.07339e+02   -7.62175e+01    5.65546e-06


DD  step 217239999 load imb.: force 14.0%  pme mesh/force 0.729
           Step           Time
      217240000   434480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11709e+03    1.95787e+04    1.29657e+04    1.21151e+03   -3.09163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81934e+03    9.31720e+04    4.02103e+05   -2.33131e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66174e+04   -2.44489e+06    4.79565e+05   -1.96533e+06    2.29650e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.05995e+02    2.67659e+01    5.87643e-06


DD  step 217244999 load imb.: force 14.8%  pme mesh/force 0.704
           Step           Time
      217245000   434490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76028e+03    1.93862e+04    1.30730e+04    1.20250e+03   -3.00571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91516e+03    9.28968e+04    3.97353e+05   -2.33911e+04   -2.97320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65538e+04   -2.44645e+06    4.81090e+05   -1.96536e+06    2.29656e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11899e+02   -2.07373e+02   -8.24837e+01    5.77983e-06


DD  step 217249999 load imb.: force 15.5%  pme mesh/force 0.746
           Step           Time
      217250000   434500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85818e+03    1.94999e+04    1.29993e+04    1.24728e+03   -2.93044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89792e+03    9.31022e+04    3.97171e+05   -2.33693e+04   -2.97242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64796e+04   -2.44547e+06    4.79875e+05   -1.96559e+06    2.29662e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11112e+02   -2.06988e+02   -6.98729e+01    5.96049e-06


DD  step 217254999 load imb.: force 15.8%  pme mesh/force 0.738
           Step           Time
      217255000   434510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00429e+03    1.96052e+04    1.31103e+04    1.19009e+03   -3.14744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94798e+03    9.25228e+04    3.97201e+05   -2.33813e+04   -2.97243e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67210e+04   -2.44566e+06    4.79276e+05   -1.96638e+06    2.29668e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10723e+02   -2.07200e+02   -7.46889e+01    5.69332e-06


DD  step 217259999 load imb.: force 16.5%  pme mesh/force 0.721
           Step           Time
      217260000   434520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04971e+03    1.95398e+04    1.30755e+04    1.15214e+03   -3.10682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72851e+03    9.29748e+04    3.99674e+05   -2.33868e+04   -2.97373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63328e+04   -2.44469e+06    4.79994e+05   -1.96470e+06    2.29673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.07298e+02    1.93156e+01    5.76258e-06


DD  step 217264999 load imb.: force 15.1%  pme mesh/force 0.736
           Step           Time
      217265000   434530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94606e+03    1.95426e+04    1.32393e+04    1.21703e+03   -3.03567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90453e+03    9.24976e+04    3.99016e+05   -2.33834e+04   -2.97174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63413e+04   -2.44345e+06    4.78877e+05   -1.96457e+06    2.29680e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10465e+02   -2.07237e+02    1.16466e+01    5.76355e-06


DD  step 217269999 load imb.: force 14.1%  pme mesh/force 0.708
           Step           Time
      217270000   434540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86551e+03    1.89232e+04    1.29023e+04    1.18442e+03   -2.91198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87696e+03    9.36564e+04    4.01734e+05   -2.33740e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65885e+04   -2.44754e+06    4.78341e+05   -1.96920e+06    2.29685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10117e+02   -2.07071e+02    4.07488e+01    5.76645e-06


DD  step 217274999 load imb.: force 14.7%  pme mesh/force 0.720
           Step           Time
      217275000   434550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01105e+03    1.94243e+04    1.30696e+04    1.20768e+03   -3.04031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85060e+03    9.31470e+04    4.02840e+05   -2.33123e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64991e+04   -2.44562e+06    4.80496e+05   -1.96512e+06    2.29691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11514e+02   -2.05981e+02    5.47599e+01    5.64910e-06


DD  step 217279999 load imb.: force 15.7%  pme mesh/force 0.715
           Step           Time
      217280000   434560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21058e+03    1.90159e+04    1.29954e+04    1.20205e+03   -3.08566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79054e+03    9.27205e+04    3.97792e+05   -2.33423e+04   -2.97210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64231e+04   -2.44538e+06    4.80961e+05   -1.96441e+06    2.29697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11816e+02   -2.06510e+02   -1.05957e+02    5.57594e-06


DD  step 217284999 load imb.: force 14.7%  pme mesh/force 0.700
           Step           Time
      217285000   434570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67877e+03    1.95347e+04    1.30184e+04    1.18956e+03   -2.96809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74923e+03    9.31541e+04    3.98874e+05   -2.33808e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62748e+04   -2.44786e+06    4.79596e+05   -1.96827e+06    2.29703e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07190e+02   -5.85538e+01    5.80791e-06


DD  step 217289999 load imb.: force 16.4%  pme mesh/force 0.734
           Step           Time
      217290000   434580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88492e+03    1.95126e+04    1.30613e+04    1.17598e+03   -3.07595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85157e+03    9.29775e+04    4.01716e+05   -2.34151e+04   -2.98015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65098e+04   -2.44895e+06    4.79471e+05   -1.96948e+06    2.29709e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10849e+02   -2.07799e+02   -3.87979e+01    5.63427e-06


DD  step 217294999 load imb.: force 15.5%  pme mesh/force 0.713
           Step           Time
      217295000   434590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75726e+03    1.92664e+04    1.31098e+04    1.18336e+03   -3.16856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77817e+03    9.27084e+04    4.00413e+05   -2.33697e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64546e+04   -2.44864e+06    4.80293e+05   -1.96835e+06    2.29714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11382e+02   -2.06995e+02   -2.93355e+01    5.77858e-06


DD  step 217299999 load imb.: force 16.5%  pme mesh/force 0.737
           Step           Time
      217300000   434600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07120e+03    1.97505e+04    1.30299e+04    1.12729e+03   -3.15538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88644e+03    9.28037e+04    3.98834e+05   -2.33974e+04   -2.97459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65201e+04   -2.44612e+06    4.81236e+05   -1.96488e+06    2.29720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11994e+02   -2.07485e+02    1.57889e+01    5.72096e-06


DD  step 217304999 load imb.: force 13.1%  pme mesh/force 0.703
           Step           Time
      217305000   434610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91111e+03    1.91341e+04    1.28608e+04    1.21208e+03   -2.93119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83991e+03    9.26341e+04    4.04141e+05   -2.34117e+04   -2.98441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62553e+04   -2.45177e+06    4.78589e+05   -1.97318e+06    2.29726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10278e+02   -2.07739e+02    6.47301e+01    5.64352e-06


DD  step 217309999 load imb.: force 16.0%  pme mesh/force 0.766
           Step           Time
      217310000   434620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13612e+03    1.97844e+04    1.30694e+04    1.19097e+03   -3.05218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90304e+03    9.27536e+04    3.99647e+05   -2.34152e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63409e+04   -2.44794e+06    4.80670e+05   -1.96727e+06    2.29732e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11627e+02   -2.07800e+02   -9.13411e+00    5.66352e-06


DD  step 217314999 load imb.: force 17.2%  pme mesh/force 0.777
           Step           Time
      217315000   434630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04442e+03    1.93599e+04    1.32328e+04    1.17336e+03   -2.96508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80975e+03    9.24682e+04    3.99829e+05   -2.33715e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64566e+04   -2.44633e+06    4.80402e+05   -1.96593e+06    2.29738e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.07026e+02   -5.92144e+01    5.63566e-06


DD  step 217319999 load imb.: force 17.0%  pme mesh/force 0.706
           Step           Time
      217320000   434640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80064e+03    1.94335e+04    1.30074e+04    1.19122e+03   -2.97362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81637e+03    9.25463e+04    4.01698e+05   -2.33762e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64263e+04   -2.44746e+06    4.79903e+05   -1.96756e+06    2.29743e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11130e+02   -2.07109e+02    7.59117e+01    5.64595e-06


DD  step 217324999 load imb.: force 17.4%  pme mesh/force 0.734
           Step           Time
      217325000   434650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14006e+03    1.96163e+04    1.29276e+04    1.24402e+03   -3.06713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81946e+03    9.25848e+04    3.98156e+05   -2.34305e+04   -2.97356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64120e+04   -2.44615e+06    4.79148e+05   -1.96700e+06    2.29749e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10640e+02   -2.08072e+02   -6.02076e+01    5.71444e-06


DD  step 217329999 load imb.: force 16.9%  pme mesh/force 0.731
           Step           Time
      217330000   434660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04769e+03    1.93875e+04    1.30866e+04    1.20006e+03   -2.98740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84489e+03    9.30700e+04    3.98872e+05   -2.33617e+04   -2.97445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66471e+04   -2.44565e+06    4.78195e+05   -1.96745e+06    2.29755e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10023e+02   -2.06853e+02   -5.30138e+01    5.67800e-06


DD  step 217334999 load imb.: force 15.6%  pme mesh/force 0.751
           Step           Time
      217335000   434670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08037e+03    1.95256e+04    1.29806e+04    1.15581e+03   -3.03397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84589e+03    9.28188e+04    3.98049e+05   -2.33723e+04   -2.97330e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62127e+04   -2.44604e+06    4.79692e+05   -1.96635e+06    2.29760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.07040e+02   -4.83049e+01    5.84908e-06


DD  step 217339999 load imb.: force 14.5%  pme mesh/force 0.706
           Step           Time
      217340000   434680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17542e+03    1.89982e+04    1.32192e+04    1.09798e+03   -3.04847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79885e+03    9.25085e+04    3.97551e+05   -2.33233e+04   -2.97320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64741e+04   -2.44675e+06    4.79231e+05   -1.96752e+06    2.29766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10694e+02   -2.06174e+02   -1.58146e+02    5.73003e-06


DD  step 217344999 load imb.: force 15.1%  pme mesh/force 0.785
           Step           Time
      217345000   434690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69339e+03    1.93821e+04    1.31642e+04    1.17311e+03   -2.99933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80788e+03    9.33499e+04    4.01949e+05   -2.33779e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62891e+04   -2.44765e+06    4.79435e+05   -1.96822e+06    2.29772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10826e+02   -2.07140e+02    3.55862e+01    5.62793e-06


DD  step 217349999 load imb.: force 15.8%  pme mesh/force 0.756
           Step           Time
      217350000   434700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13180e+03    1.95633e+04    1.31601e+04    1.29126e+03   -2.95480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91137e+03    9.26939e+04    4.03775e+05   -2.33634e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66996e+04   -2.44433e+06    4.84077e+05   -1.96025e+06    2.29778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13836e+02   -2.06882e+02    1.61055e+02    5.84501e-06


DD  step 217354999 load imb.: force 16.7%  pme mesh/force 0.754
           Step           Time
      217355000   434710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18456e+03    1.97965e+04    1.31038e+04    1.17198e+03   -3.05758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72938e+03    9.28352e+04    3.99603e+05   -2.33477e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63882e+04   -2.44651e+06    4.80088e+05   -1.96642e+06    2.29784e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11249e+02   -2.06606e+02   -1.40457e+02    5.66592e-06


DD  step 217359999 load imb.: force 16.7%  pme mesh/force 0.769
           Step           Time
      217360000   434720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98289e+03    1.94809e+04    1.29504e+04    1.08651e+03   -3.07023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89622e+03    9.31116e+04    4.01241e+05   -2.33343e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63760e+04   -2.44563e+06    4.80360e+05   -1.96527e+06    2.29790e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.06369e+02    6.31512e+01    5.82434e-06


DD  step 217364999 load imb.: force 16.7%  pme mesh/force 0.738
           Step           Time
      217365000   434730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88059e+03    1.93878e+04    1.30026e+04    1.16144e+03   -2.89804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71979e+03    9.31931e+04    4.02421e+05   -2.33410e+04   -2.97983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63053e+04   -2.44800e+06    4.79626e+05   -1.96837e+06    2.29795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10950e+02   -2.06486e+02   -2.28668e-01    5.68637e-06


DD  step 217369999 load imb.: force 15.8%  pme mesh/force 0.761
           Step           Time
      217370000   434740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95201e+03    1.93670e+04    1.29861e+04    1.10938e+03   -2.99963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89429e+03    9.27956e+04    4.00154e+05   -2.34002e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63850e+04   -2.44703e+06    4.79069e+05   -1.96796e+06    2.29801e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10589e+02   -2.07535e+02    8.79420e+00    5.58274e-06


DD  step 217374999 load imb.: force 16.7%  pme mesh/force 0.721
           Step           Time
      217375000   434750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17644e+03    1.95350e+04    1.30534e+04    1.24132e+03   -3.09849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87691e+03    9.29926e+04    4.00387e+05   -2.33994e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66757e+04   -2.44711e+06    4.78265e+05   -1.96884e+06    2.29807e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10068e+02   -2.07520e+02    4.25823e+01    5.56475e-06


DD  step 217379999 load imb.: force 16.3%  pme mesh/force 0.736
           Step           Time
      217380000   434760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95157e+03    1.95632e+04    1.30804e+04    1.19920e+03   -3.09431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79908e+03    9.28248e+04    4.03900e+05   -2.33599e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63855e+04   -2.44576e+06    4.80007e+05   -1.96576e+06    2.29812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11197e+02   -2.06822e+02    8.94102e+01    5.73905e-06


DD  step 217384999 load imb.: force 17.3%  pme mesh/force 0.751
           Step           Time
      217385000   434770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84234e+03    1.94895e+04    1.30700e+04    1.18852e+03   -2.95302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93473e+03    9.31086e+04    4.01324e+05   -2.33691e+04   -2.97999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65169e+04   -2.44884e+06    4.78610e+05   -1.97023e+06    2.29818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10291e+02   -2.06983e+02    1.90733e+00    5.59766e-06


DD  step 217389999 load imb.: force 15.3%  pme mesh/force 0.743
           Step           Time
      217390000   434780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09245e+03    1.92614e+04    1.30661e+04    1.22622e+03   -3.13941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82210e+03    9.26345e+04    4.01318e+05   -2.33927e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67436e+04   -2.44650e+06    4.80523e+05   -1.96597e+06    2.29824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11532e+02   -2.07402e+02    1.39090e+01    5.62216e-06


DD  step 217394999 load imb.: force 14.1%  pme mesh/force 0.704
           Step           Time
      217395000   434790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93852e+03    1.94874e+04    1.29052e+04    1.07864e+03   -3.06448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94886e+03    9.28786e+04    4.02110e+05   -2.33957e+04   -2.98011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65657e+04   -2.44865e+06    4.80412e+05   -1.96824e+06    2.29830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11460e+02   -2.07454e+02    8.27471e+01    5.65179e-06


DD  step 217399999 load imb.: force 15.2%  pme mesh/force 0.729
           Step           Time
      217400000   434800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98213e+03    1.93506e+04    1.30120e+04    1.23824e+03   -3.08937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77246e+03    9.27854e+04    4.02843e+05   -2.33866e+04   -2.98121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63809e+04   -2.44932e+06    4.79914e+05   -1.96941e+06    2.29836e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11137e+02   -2.07294e+02   -1.04044e+01    5.68669e-06


DD  step 217404999 load imb.: force 17.6%  pme mesh/force 0.778
           Step           Time
      217405000   434810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05993e+03    1.95873e+04    1.33027e+04    1.18711e+03   -3.07498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92238e+03    9.30544e+04    4.00055e+05   -2.33942e+04   -2.97794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66603e+04   -2.44758e+06    4.81312e+05   -1.96627e+06    2.29842e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12043e+02   -2.07428e+02    3.13312e+01    5.84083e-06


DD  step 217409999 load imb.: force 17.6%  pme mesh/force 0.749
           Step           Time
      217410000   434820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77076e+03    1.93363e+04    1.30648e+04    1.23195e+03   -3.05504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98595e+03    9.25911e+04    4.02225e+05   -2.33986e+04   -2.97925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63741e+04   -2.44812e+06    4.80202e+05   -1.96792e+06    2.29848e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.07506e+02    8.65331e+01    5.79756e-06


DD  step 217414999 load imb.: force 15.3%  pme mesh/force 0.710
           Step           Time
      217415000   434830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81556e+03    1.94538e+04    1.29156e+04    1.20673e+03   -2.98996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85202e+03    9.28609e+04    4.01293e+05   -2.33626e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62302e+04   -2.44735e+06    4.78181e+05   -1.96917e+06    2.29854e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10013e+02   -2.06869e+02    3.72373e+01    5.70400e-06


DD  step 217419999 load imb.: force 14.9%  pme mesh/force 0.732
           Step           Time
      217420000   434840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07518e+03    1.90818e+04    1.30055e+04    1.14886e+03   -2.94719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90053e+03    9.31354e+04    4.00658e+05   -2.34250e+04   -2.97958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63182e+04   -2.44963e+06    4.77447e+05   -1.97218e+06    2.29859e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09538e+02   -2.07975e+02    1.17435e+01    5.65003e-06


DD  step 217424999 load imb.: force 16.1%  pme mesh/force 0.759
           Step           Time
      217425000   434850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99122e+03    1.97914e+04    1.30881e+04    1.26968e+03   -3.14668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92744e+03    9.25224e+04    3.97153e+05   -2.33682e+04   -2.97257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64407e+04   -2.44590e+06    4.80533e+05   -1.96537e+06    2.29865e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11538e+02   -2.06968e+02   -6.32158e+01    5.92234e-06


DD  step 217429999 load imb.: force 16.6%  pme mesh/force 0.748
           Step           Time
      217430000   434860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84558e+03    1.90350e+04    1.29470e+04    1.18269e+03   -3.06099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87665e+03    9.34941e+04    4.02075e+05   -2.33842e+04   -2.98069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63291e+04   -2.44935e+06    4.79925e+05   -1.96942e+06    2.29870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11144e+02   -2.07251e+02    2.23185e+01    5.90784e-06


DD  step 217434999 load imb.: force 17.5%  pme mesh/force 0.715
           Step           Time
      217435000   434870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71532e+03    1.94173e+04    1.29879e+04    1.17515e+03   -3.05824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79447e+03    9.33143e+04    4.01943e+05   -2.34216e+04   -2.98062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63226e+04   -2.44943e+06    4.80645e+05   -1.96879e+06    2.29876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.07914e+02    7.19451e+01    5.65373e-06


DD  step 217439999 load imb.: force 15.2%  pme mesh/force 0.709
           Step           Time
      217440000   434880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82034e+03    1.98194e+04    1.32010e+04    1.23239e+03   -3.11607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86707e+03    9.30119e+04    4.02370e+05   -2.33808e+04   -2.97925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65020e+04   -2.44692e+06    4.79254e+05   -1.96767e+06    2.29882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.07190e+02    6.38772e+01    5.75907e-06


DD  step 217444999 load imb.: force 17.2%  pme mesh/force 0.755
           Step           Time
      217445000   434890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88402e+03    1.92000e+04    1.30324e+04    1.25746e+03   -2.97176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80987e+03    9.29967e+04    3.99629e+05   -2.33683e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63345e+04   -2.44788e+06    4.80124e+05   -1.96775e+06    2.29888e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11273e+02   -2.06970e+02   -4.17649e+01    5.81941e-06


DD  step 217449999 load imb.: force 16.3%  pme mesh/force 0.756
           Step           Time
      217450000   434900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22023e+03    1.94722e+04    1.32653e+04    1.18954e+03   -3.11669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86842e+03    9.28936e+04    4.01698e+05   -2.34022e+04   -2.98221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64624e+04   -2.45066e+06    4.81990e+05   -1.96867e+06    2.29894e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12483e+02   -2.07570e+02   -2.83056e+01    5.62676e-06


DD  step 217454999 load imb.: force 18.3%  pme mesh/force 0.739
           Step           Time
      217455000   434910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08902e+03    1.90809e+04    1.31746e+04    1.19458e+03   -3.07587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84055e+03    9.33923e+04    3.99358e+05   -2.33941e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63423e+04   -2.44594e+06    4.78990e+05   -1.96695e+06    2.29900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.07427e+02   -1.27061e+01    5.63439e-06


DD  step 217459999 load imb.: force 15.8%  pme mesh/force 0.736
           Step           Time
      217460000   434920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01331e+03    1.95689e+04    1.32328e+04    1.17360e+03   -2.99071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76972e+03    9.34174e+04    4.00165e+05   -2.33941e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63051e+04   -2.44764e+06    4.80928e+05   -1.96671e+06    2.29906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11794e+02   -2.07426e+02   -7.78322e+00    5.95580e-06


DD  step 217464999 load imb.: force 19.3%  pme mesh/force 0.740
           Step           Time
      217465000   434930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06818e+03    1.89065e+04    1.28812e+04    1.13437e+03   -2.91596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85636e+03    9.30544e+04    4.02156e+05   -2.33671e+04   -2.98289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64018e+04   -2.45171e+06    4.79079e+05   -1.97263e+06    2.29911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10596e+02   -2.06949e+02    8.30516e+00    5.79256e-06


DD  step 217469999 load imb.: force 16.9%  pme mesh/force 0.748
           Step           Time
      217470000   434940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29140e+03    1.96563e+04    1.31423e+04    1.25566e+03   -3.09382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84995e+03    9.29859e+04    3.99648e+05   -2.33306e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64407e+04   -2.44531e+06    4.79187e+05   -1.96613e+06    2.29918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10665e+02   -2.06303e+02   -7.38236e+01    5.82466e-06


DD  step 217474999 load imb.: force 17.9%  pme mesh/force 0.750
           Step           Time
      217475000   434950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85148e+03    1.94030e+04    1.31095e+04    1.13830e+03   -3.01496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88925e+03    9.40100e+04    3.98633e+05   -2.34284e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65114e+04   -2.44576e+06    4.81223e+05   -1.96454e+06    2.29923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11985e+02   -2.08035e+02    3.80807e+01    5.67511e-06


DD  step 217479999 load imb.: force 16.6%  pme mesh/force 0.753
           Step           Time
      217480000   434960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20156e+03    1.93490e+04    1.31461e+04    1.15905e+03   -3.03577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90543e+03    9.34974e+04    3.99840e+05   -2.33877e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66070e+04   -2.44510e+06    4.78401e+05   -1.96670e+06    2.29929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10156e+02   -2.07312e+02    1.68043e+01    5.69037e-06


DD  step 217484999 load imb.: force 19.0%  pme mesh/force 0.761
           Step           Time
      217485000   434970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04842e+03    1.93522e+04    1.29768e+04    1.13932e+03   -3.06690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83757e+03    9.33641e+04    4.02166e+05   -2.34019e+04   -2.97693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63722e+04   -2.44514e+06    4.77697e+05   -1.96744e+06    2.29934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09700e+02   -2.07564e+02    8.59661e+01    5.66585e-06


DD  step 217489999 load imb.: force 18.3%  pme mesh/force 0.795
           Step           Time
      217490000   434980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12521e+03    1.93680e+04    1.32639e+04    1.13223e+03   -3.10945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95946e+03    9.31441e+04    4.01107e+05   -2.33971e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64097e+04   -2.44971e+06    4.78649e+05   -1.97106e+06    2.29941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10316e+02   -2.07480e+02    3.38774e+00    5.64689e-06


DD  step 217494999 load imb.: force 16.4%  pme mesh/force 0.749
           Step           Time
      217495000   434990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99536e+03    1.95539e+04    1.29457e+04    1.09733e+03   -3.09496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86027e+03    9.35872e+04    3.99003e+05   -2.34045e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63153e+04   -2.44963e+06    4.77242e+05   -1.97239e+06    2.29946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09405e+02   -2.07610e+02   -5.36002e+01    5.91116e-06

Writing checkpoint, step 217497250 at Tue Nov  7 17:31:28 2023



DD  step 217499999 load imb.: force 15.3%  pme mesh/force 0.735
           Step           Time
      217500000   435000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98480e+03    1.93565e+04    1.31740e+04    1.12631e+03   -3.09662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91114e+03    9.37537e+04    4.00110e+05   -2.34227e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64387e+04   -2.44662e+06    4.80236e+05   -1.96638e+06    2.29952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11345e+02   -2.07933e+02    4.84175e+01    5.71773e-06


DD  step 217504999 load imb.: force 17.0%  pme mesh/force 0.775
           Step           Time
      217505000   435010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95774e+03    1.95916e+04    1.31356e+04    1.23128e+03   -3.20227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82940e+03    9.36281e+04    3.98609e+05   -2.34179e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64903e+04   -2.44669e+06    4.79307e+05   -1.96739e+06    2.29958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.07849e+02   -1.57882e+01    5.75679e-06


DD  step 217509999 load imb.: force 16.1%  pme mesh/force 0.736
           Step           Time
      217510000   435020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84223e+03    1.96651e+04    1.29744e+04    1.21214e+03   -3.09102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88848e+03    9.38339e+04    4.01011e+05   -2.33387e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64519e+04   -2.44704e+06    4.80695e+05   -1.96634e+06    2.29963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11643e+02   -2.06446e+02    1.40847e+01    5.79462e-06


DD  step 217514999 load imb.: force 16.6%  pme mesh/force 0.749
           Step           Time
      217515000   435030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87883e+03    1.95549e+04    1.30822e+04    1.12266e+03   -3.00764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89815e+03    9.32062e+04    3.99158e+05   -2.34197e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63821e+04   -2.44898e+06    4.82176e+05   -1.96681e+06    2.29969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12603e+02   -2.07880e+02    1.91476e+00    5.75537e-06


DD  step 217519999 load imb.: force 16.5%  pme mesh/force 0.734
           Step           Time
      217520000   435040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29436e+03    1.98586e+04    1.31404e+04    1.16342e+03   -2.97567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83072e+03    9.33985e+04    3.98485e+05   -2.33889e+04   -2.97248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63370e+04   -2.44333e+06    4.81484e+05   -1.96185e+06    2.29975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12155e+02   -2.07335e+02   -1.30469e+00    5.79047e-06


DD  step 217524999 load imb.: force 18.0%  pme mesh/force 0.740
           Step           Time
      217525000   435050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04909e+03    1.91188e+04    1.29415e+04    1.15828e+03   -2.97641e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86312e+03    9.35002e+04    4.01512e+05   -2.33407e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66291e+04   -2.44593e+06    4.79359e+05   -1.96657e+06    2.29981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.06483e+02    1.49656e+01    5.66983e-06


DD  step 217529999 load imb.: force 16.4%  pme mesh/force 0.727
           Step           Time
      217530000   435060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01790e+03    1.89337e+04    1.31565e+04    1.16176e+03   -3.18623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89646e+03    9.34478e+04    4.03904e+05   -2.34021e+04   -2.98334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66023e+04   -2.44981e+06    4.81132e+05   -1.96868e+06    2.29986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11926e+02   -2.07568e+02    7.82227e+01    5.78879e-06


DD  step 217534999 load imb.: force 14.0%  pme mesh/force 0.717
           Step           Time
      217535000   435070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83213e+03    1.92927e+04    1.31021e+04    1.15242e+03   -3.06964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76544e+03    9.36648e+04    4.01868e+05   -2.33458e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64596e+04   -2.44451e+06    4.79403e+05   -1.96511e+06    2.29992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10806e+02   -2.06573e+02    4.67348e+01    5.72363e-06


DD  step 217539999 load imb.: force 14.9%  pme mesh/force 0.748
           Step           Time
      217540000   435080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00567e+03    1.90298e+04    1.31064e+04    1.21945e+03   -3.05170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80603e+03    9.35831e+04    3.99169e+05   -2.33943e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65460e+04   -2.44511e+06    4.76688e+05   -1.96842e+06    2.29998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09046e+02   -2.07430e+02   -1.41055e+01    5.58190e-06


DD  step 217544999 load imb.: force 15.3%  pme mesh/force 0.734
           Step           Time
      217545000   435090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03543e+03    1.98843e+04    1.32013e+04    1.16756e+03   -3.24765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67070e+03    9.28270e+04    4.04444e+05   -2.34133e+04   -2.98252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66483e+04   -2.44830e+06    4.78226e+05   -1.97007e+06    2.30004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10043e+02   -2.07767e+02    6.65421e+01    5.73839e-06


DD  step 217549999 load imb.: force 18.5%  pme mesh/force 0.794
           Step           Time
      217550000   435100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03629e+03    1.95256e+04    1.28634e+04    1.15360e+03   -3.15322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89261e+03    9.34266e+04    4.00453e+05   -2.33758e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67202e+04   -2.44689e+06    4.79292e+05   -1.96760e+06    2.30010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.07102e+02    8.67403e+00    5.74385e-06


DD  step 217554999 load imb.: force 16.6%  pme mesh/force 0.740
           Step           Time
      217555000   435110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92100e+03    1.95206e+04    1.31917e+04    1.15200e+03   -3.14169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94589e+03    9.37569e+04    4.00505e+05   -2.33639e+04   -2.97718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64979e+04   -2.44620e+06    4.80841e+05   -1.96536e+06    2.30016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11738e+02   -2.06891e+02    3.00000e+01    5.65542e-06


DD  step 217559999 load imb.: force 15.8%  pme mesh/force 0.733
           Step           Time
      217560000   435120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83951e+03    1.91587e+04    1.29927e+04    1.20334e+03   -3.08555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00148e+03    9.36390e+04    4.02411e+05   -2.33643e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63993e+04   -2.44742e+06    4.81111e+05   -1.96631e+06    2.30021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11913e+02   -2.06899e+02    4.90088e+01    5.69948e-06


DD  step 217564999 load imb.: force 18.5%  pme mesh/force 0.770
           Step           Time
      217565000   435130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90973e+03    1.93665e+04    1.30192e+04    1.15911e+03   -3.09367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95224e+03    9.43374e+04    4.01044e+05   -2.33768e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64712e+04   -2.44684e+06    4.80019e+05   -1.96682e+06    2.30028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11205e+02   -2.07120e+02    4.03150e+01    5.89815e-06


DD  step 217569999 load imb.: force 18.8%  pme mesh/force 0.785
           Step           Time
      217570000   435140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09050e+03    1.94811e+04    1.30623e+04    1.16999e+03   -3.08670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80708e+03    9.39467e+04    4.00005e+05   -2.34137e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63454e+04   -2.44680e+06    4.79510e+05   -1.96729e+06    2.30033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.07774e+02    7.04926e+00    5.66204e-06


DD  step 217574999 load imb.: force 17.9%  pme mesh/force 0.775
           Step           Time
      217575000   435150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91914e+03    1.94529e+04    1.30878e+04    1.18962e+03   -3.05395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90726e+03    9.37678e+04    4.00414e+05   -2.33638e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63530e+04   -2.44931e+06    4.78791e+05   -1.97052e+06    2.30039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10408e+02   -2.06890e+02   -3.07153e+01    5.55821e-06


DD  step 217579999 load imb.: force 18.1%  pme mesh/force 0.767
           Step           Time
      217580000   435160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26404e+03    1.92839e+04    1.31812e+04    1.16235e+03   -3.11567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66538e+03    9.34167e+04    4.03604e+05   -2.33831e+04   -2.98180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63923e+04   -2.44833e+06    4.80336e+05   -1.96799e+06    2.30044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.07231e+02    4.05590e+01    5.60387e-06


DD  step 217584999 load imb.: force 19.3%  pme mesh/force 0.766
           Step           Time
      217585000   435170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92710e+03    1.91482e+04    1.30080e+04    1.18882e+03   -3.15439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90308e+03    9.36226e+04    4.01615e+05   -2.33625e+04   -2.98005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65405e+04   -2.44861e+06    4.78250e+05   -1.97036e+06    2.30050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10058e+02   -2.06868e+02    9.00636e+00    5.79716e-06


DD  step 217589999 load imb.: force 18.0%  pme mesh/force 0.741
           Step           Time
      217590000   435180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79190e+03    1.97092e+04    1.30299e+04    1.14853e+03   -3.14995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83473e+03    9.26538e+04    3.99115e+05   -2.33806e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63281e+04   -2.44756e+06    4.78950e+05   -1.96861e+06    2.30056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10512e+02   -2.07187e+02    3.01940e+01    5.68090e-06


DD  step 217594999 load imb.: force 18.4%  pme mesh/force 0.795
           Step           Time
      217595000   435190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91137e+03    1.99251e+04    1.31273e+04    1.20445e+03   -3.19750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73038e+03    9.36743e+04    4.01387e+05   -2.33937e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62582e+04   -2.44656e+06    4.81329e+05   -1.96523e+06    2.30062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12054e+02   -2.07419e+02    6.02727e+01    5.45279e-06


DD  step 217599999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      217600000   435200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07823e+03    1.95334e+04    1.31750e+04    1.22379e+03   -3.10872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81552e+03    9.30553e+04    4.00718e+05   -2.33550e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65815e+04   -2.44608e+06    4.80287e+05   -1.96580e+06    2.30067e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.06735e+02   -6.67120e+00    5.66633e-06


DD  step 217604999 load imb.: force 17.8%  pme mesh/force 0.780
           Step           Time
      217605000   435210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18009e+03    1.93370e+04    1.30739e+04    1.15048e+03   -3.02131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75378e+03    9.31395e+04    4.01349e+05   -2.34363e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61440e+04   -2.45016e+06    4.77606e+05   -1.97256e+06    2.30073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09640e+02   -2.08175e+02    1.19497e+01    5.52886e-06


DD  step 217609999 load imb.: force 18.5%  pme mesh/force 0.758
           Step           Time
      217610000   435220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11869e+03    1.96441e+04    1.33375e+04    1.14073e+03   -3.04615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74664e+03    9.30969e+04    4.02243e+05   -2.34016e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64574e+04   -2.44850e+06    4.81630e+05   -1.96687e+06    2.30079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12249e+02   -2.07560e+02    8.01608e+00    5.69604e-06


DD  step 217614999 load imb.: force 18.4%  pme mesh/force 0.758
           Step           Time
      217615000   435230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00088e+03    1.92365e+04    1.30813e+04    1.14657e+03   -2.96058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95744e+03    9.37306e+04    4.01378e+05   -2.33763e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63753e+04   -2.44697e+06    4.79919e+05   -1.96705e+06    2.30085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11140e+02   -2.07112e+02    5.45628e+01    5.69855e-06


DD  step 217619999 load imb.: force 18.9%  pme mesh/force 0.781
           Step           Time
      217620000   435240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21695e+03    1.96241e+04    1.30740e+04    1.14878e+03   -2.99175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81679e+03    9.26671e+04    4.00953e+05   -2.33898e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65274e+04   -2.44647e+06    4.79303e+05   -1.96717e+06    2.30091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10741e+02   -2.07350e+02   -1.73300e+01    5.64113e-06


DD  step 217624999 load imb.: force 17.3%  pme mesh/force 0.774
           Step           Time
      217625000   435250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16422e+03    1.93308e+04    1.32697e+04    1.12618e+03   -3.17056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93492e+03    9.32875e+04    4.00036e+05   -2.33898e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63842e+04   -2.44677e+06    4.77921e+05   -1.96885e+06    2.30097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09845e+02   -2.07350e+02   -1.84505e+01    5.68519e-06


DD  step 217629999 load imb.: force 17.1%  pme mesh/force 0.773
           Step           Time
      217630000   435260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08005e+03    1.91425e+04    1.29655e+04    1.20965e+03   -3.14917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91005e+03    9.28876e+04    4.01515e+05   -2.33886e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63928e+04   -2.44662e+06    4.80292e+05   -1.96633e+06    2.30102e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11382e+02   -2.07330e+02    7.26549e+01    5.74237e-06


DD  step 217634999 load imb.: force 16.5%  pme mesh/force 0.752
           Step           Time
      217635000   435270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91920e+03    1.89663e+04    1.31328e+04    1.21869e+03   -3.14248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87848e+03    9.33597e+04    3.98842e+05   -2.34015e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65894e+04   -2.44576e+06    4.80296e+05   -1.96547e+06    2.30108e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11384e+02   -2.07558e+02   -3.04358e+00    5.77319e-06


DD  step 217639999 load imb.: force 17.9%  pme mesh/force 0.774
           Step           Time
      217640000   435280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09513e+03    1.95662e+04    1.29232e+04    1.23506e+03   -3.05685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92843e+03    9.31839e+04    4.00469e+05   -2.33819e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63805e+04   -2.44570e+06    4.79023e+05   -1.96668e+06    2.30114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10559e+02   -2.07211e+02    2.48823e+01    5.79959e-06


DD  step 217644999 load imb.: force 17.7%  pme mesh/force 0.774
           Step           Time
      217645000   435290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02111e+03    1.97240e+04    1.32573e+04    1.17265e+03   -3.09862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92936e+03    9.31250e+04    4.00979e+05   -2.33812e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63330e+04   -2.44633e+06    4.79512e+05   -1.96682e+06    2.30120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.07199e+02    4.55741e+01    5.66443e-06


DD  step 217649999 load imb.: force 17.7%  pme mesh/force 0.769
           Step           Time
      217650000   435300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99110e+03    1.93831e+04    1.31133e+04    1.18501e+03   -3.09850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78639e+03    9.28234e+04    3.98353e+05   -2.33953e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65051e+04   -2.44724e+06    4.77366e+05   -1.96988e+06    2.30126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09485e+02   -2.07447e+02   -8.00349e+01    5.57380e-06


DD  step 217654999 load imb.: force 19.1%  pme mesh/force 0.788
           Step           Time
      217655000   435310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91126e+03    1.91655e+04    1.29209e+04    1.18169e+03   -3.12671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78857e+03    9.35726e+04    4.01157e+05   -2.33611e+04   -2.97992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65248e+04   -2.44919e+06    4.79635e+05   -1.96955e+06    2.30131e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10956e+02   -2.06842e+02   -5.75868e+00    5.79045e-06


DD  step 217659999 load imb.: force 18.2%  pme mesh/force 0.769
           Step           Time
      217660000   435320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83823e+03    1.91248e+04    1.31070e+04    1.20630e+03   -3.11372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91450e+03    9.31525e+04    3.99128e+05   -2.34029e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65082e+04   -2.44707e+06    4.78992e+05   -1.96808e+06    2.30137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10539e+02   -2.07583e+02    7.26610e+00    5.66314e-06


DD  step 217664999 load imb.: force 16.9%  pme mesh/force 0.766
           Step           Time
      217665000   435330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14183e+03    1.91576e+04    1.30957e+04    1.23394e+03   -3.18417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69769e+03    9.31445e+04    4.04820e+05   -2.33952e+04   -2.98513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65338e+04   -2.45088e+06    4.80028e+05   -1.97085e+06    2.30143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11211e+02   -2.07446e+02    6.83175e+01    5.63117e-06


DD  step 217669999 load imb.: force 18.1%  pme mesh/force 0.790
           Step           Time
      217670000   435340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91202e+03    1.94213e+04    1.29001e+04    1.20618e+03   -3.05872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91296e+03    9.34124e+04    3.98806e+05   -2.34180e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63521e+04   -2.44812e+06    4.79620e+05   -1.96850e+06    2.30149e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.07849e+02   -2.50616e+01    5.64575e-06


DD  step 217674999 load imb.: force 17.6%  pme mesh/force 0.765
           Step           Time
      217675000   435350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82777e+03    1.95174e+04    1.29605e+04    1.11847e+03   -3.17552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79525e+03    9.34984e+04    4.02514e+05   -2.33842e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64577e+04   -2.44739e+06    4.79775e+05   -1.96761e+06    2.30155e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.07251e+02    4.50599e+01    5.72621e-06


DD  step 217679999 load imb.: force 19.8%  pme mesh/force 0.812
           Step           Time
      217680000   435360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79554e+03    1.93511e+04    1.29468e+04    1.18813e+03   -2.98466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83829e+03    9.34004e+04    4.00709e+05   -2.33624e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67585e+04   -2.44546e+06    4.80013e+05   -1.96545e+06    2.30160e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11201e+02   -2.06865e+02    1.52588e+01    5.62310e-06


DD  step 217684999 load imb.: force 16.9%  pme mesh/force 0.785
           Step           Time
      217685000   435370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11769e+03    1.97789e+04    1.30624e+04    1.21417e+03   -3.12179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78312e+03    9.28631e+04    4.01212e+05   -2.33845e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65249e+04   -2.44731e+06    4.81396e+05   -1.96591e+06    2.30166e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12098e+02   -2.07256e+02   -9.86224e+00    5.60694e-06


DD  step 217689999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      217690000   435380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02999e+03    1.92829e+04    1.29840e+04    1.18720e+03   -3.10295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99629e+03    9.31662e+04    4.01117e+05   -2.33892e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64245e+04   -2.44769e+06    4.79587e+05   -1.96811e+06    2.30172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.07340e+02    6.03691e+01    5.59969e-06


DD  step 217694999 load imb.: force 18.5%  pme mesh/force 0.795
           Step           Time
      217695000   435390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70331e+03    1.94044e+04    1.31502e+04    1.29482e+03   -3.10992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81201e+03    9.32841e+04    3.98557e+05   -2.33565e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65569e+04   -2.44698e+06    4.80346e+05   -1.96663e+06    2.30177e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11417e+02   -2.06760e+02   -5.37160e+01    5.68258e-06


DD  step 217699999 load imb.: force 18.2%  pme mesh/force 0.784
           Step           Time
      217700000   435400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31494e+03    1.94154e+04    1.29921e+04    1.15797e+03   -3.05232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89719e+03    9.27597e+04    4.01199e+05   -2.33904e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66014e+04   -2.44580e+06    4.79444e+05   -1.96635e+06    2.30184e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10832e+02   -2.07361e+02    4.52996e+01    5.59349e-06


DD  step 217704999 load imb.: force 17.0%  pme mesh/force 0.761
           Step           Time
      217705000   435410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20453e+03    1.94736e+04    1.30752e+04    1.09528e+03   -3.10717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80458e+03    9.28237e+04    3.99304e+05   -2.34010e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63501e+04   -2.44647e+06    4.78763e+05   -1.96770e+06    2.30189e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.07550e+02   -1.09065e+01    5.63682e-06


DD  step 217709999 load imb.: force 19.9%  pme mesh/force 0.762
           Step           Time
      217710000   435420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00258e+03    1.92047e+04    1.30695e+04    1.20170e+03   -3.11020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84586e+03    9.32534e+04    3.99905e+05   -2.33643e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64891e+04   -2.44668e+06    4.79112e+05   -1.96757e+06    2.30194e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.06899e+02   -4.44520e+01    5.82060e-06


DD  step 217714999 load imb.: force 18.6%  pme mesh/force 0.768
           Step           Time
      217715000   435430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13017e+03    1.95649e+04    1.33019e+04    1.17783e+03   -3.11639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85007e+03    9.34925e+04    4.02455e+05   -2.33635e+04   -2.98092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65490e+04   -2.44788e+06    4.79785e+05   -1.96809e+06    2.30201e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11053e+02   -2.06885e+02    9.28781e+00    5.65855e-06


DD  step 217719999 load imb.: force 17.5%  pme mesh/force 0.771
           Step           Time
      217720000   435440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94609e+03    1.91371e+04    1.31445e+04    1.14957e+03   -3.04903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82165e+03    9.32430e+04    4.02268e+05   -2.34013e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65115e+04   -2.44595e+06    4.80246e+05   -1.96571e+06    2.30206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11352e+02   -2.07553e+02    4.79911e+01    5.66205e-06


DD  step 217724999 load imb.: force 17.0%  pme mesh/force 0.763
           Step           Time
      217725000   435450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18047e+03    1.95948e+04    1.29921e+04    1.18174e+03   -3.01956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78329e+03    9.31319e+04    3.98968e+05   -2.33579e+04   -2.97476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63249e+04   -2.44598e+06    4.80268e+05   -1.96571e+06    2.30212e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11366e+02   -2.06786e+02   -3.87221e+01    5.69963e-06


DD  step 217729999 load imb.: force 17.6%  pme mesh/force 0.770
           Step           Time
      217730000   435460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33700e+03    1.94695e+04    1.31314e+04    1.16733e+03   -3.10190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83700e+03    9.28312e+04    4.00451e+05   -2.33529e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65789e+04   -2.44617e+06    4.80874e+05   -1.96530e+06    2.30218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11759e+02   -2.06697e+02   -3.49832e+01    5.52316e-06


DD  step 217734999 load imb.: force 17.0%  pme mesh/force 0.737
           Step           Time
      217735000   435470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82004e+03    1.93673e+04    1.30941e+04    1.26937e+03   -3.05772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88854e+03    9.31715e+04    3.99718e+05   -2.33960e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66440e+04   -2.44638e+06    4.80190e+05   -1.96619e+06    2.30224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11316e+02   -2.07460e+02    1.44614e+01    5.55295e-06


DD  step 217739999 load imb.: force 17.9%  pme mesh/force 0.756
           Step           Time
      217740000   435480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13799e+03    1.92551e+04    1.30489e+04    1.21053e+03   -3.01114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88667e+03    9.30311e+04    4.03068e+05   -2.34096e+04   -2.98185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66074e+04   -2.44902e+06    4.80422e+05   -1.96860e+06    2.30230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.07702e+02    1.10783e+02    5.55022e-06


DD  step 217744999 load imb.: force 15.7%  pme mesh/force 0.746
           Step           Time
      217745000   435490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70783e+03    1.96438e+04    1.31484e+04    1.15832e+03   -3.11654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91034e+03    9.27867e+04    3.97576e+05   -2.33522e+04   -2.97320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64298e+04   -2.44631e+06    4.80834e+05   -1.96547e+06    2.30235e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11733e+02   -2.06686e+02   -3.79254e+01    5.65523e-06


DD  step 217749999 load imb.: force 16.3%  pme mesh/force 0.746
           Step           Time
      217750000   435500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90906e+03    1.92098e+04    1.31432e+04    1.17760e+03   -3.04303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77323e+03    9.36134e+04    3.98387e+05   -2.33694e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65437e+04   -2.44646e+06    4.79426e+05   -1.96703e+06    2.30241e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10820e+02   -2.06990e+02   -2.57165e+01    5.56376e-06


DD  step 217754999 load imb.: force 16.2%  pme mesh/force 0.731
           Step           Time
      217755000   435510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21855e+03    1.93276e+04    1.30034e+04    1.18920e+03   -3.10738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81986e+03    9.30150e+04    4.01195e+05   -2.33394e+04   -2.97598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67323e+04   -2.44492e+06    4.77960e+05   -1.96696e+06    2.30248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09870e+02   -2.06458e+02    1.88617e+01    5.63644e-06


DD  step 217759999 load imb.: force 17.0%  pme mesh/force 0.738
           Step           Time
      217760000   435520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99363e+03    1.94058e+04    1.28180e+04    1.15545e+03   -2.97496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78422e+03    9.28034e+04    4.04022e+05   -2.34101e+04   -2.98311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64277e+04   -2.45008e+06    4.77171e+05   -1.97291e+06    2.30253e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09358e+02   -2.07710e+02    5.96669e+01    5.66145e-06


DD  step 217764999 load imb.: force 18.6%  pme mesh/force 0.776
           Step           Time
      217765000   435530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95484e+03    1.93524e+04    1.31804e+04    1.17825e+03   -3.11872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77757e+03    9.23575e+04    3.98934e+05   -2.33691e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66172e+04   -2.44839e+06    4.79425e+05   -1.96897e+06    2.30258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10820e+02   -2.06985e+02   -6.59558e+01    5.53423e-06


DD  step 217769999 load imb.: force 16.5%  pme mesh/force 0.777
           Step           Time
      217770000   435540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15086e+03    1.95938e+04    1.30875e+04    1.12728e+03   -2.96203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79531e+03    9.24840e+04    4.00154e+05   -2.34067e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64073e+04   -2.44749e+06    4.77913e+05   -1.96958e+06    2.30264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.07651e+02   -2.72704e+01    5.52131e-06


DD  step 217774999 load imb.: force 18.4%  pme mesh/force 0.759
           Step           Time
      217775000   435550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76974e+03    1.92816e+04    1.27790e+04    1.08069e+03   -2.97720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88938e+03    9.25840e+04    4.04965e+05   -2.33924e+04   -2.98578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63956e+04   -2.45240e+06    4.77239e+05   -1.97516e+06    2.30270e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09403e+02   -2.07396e+02    8.58285e+01    5.64510e-06


DD  step 217779999 load imb.: force 16.7%  pme mesh/force 0.782
           Step           Time
      217780000   435560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09671e+03    1.94108e+04    1.30806e+04    1.15734e+03   -3.17745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77475e+03    9.27008e+04    4.01913e+05   -2.34550e+04   -2.98107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64561e+04   -2.45011e+06    4.78341e+05   -1.97177e+06    2.30276e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10117e+02   -2.08507e+02    6.45151e+01    5.55474e-06


DD  step 217784999 load imb.: force 16.6%  pme mesh/force 0.756
           Step           Time
      217785000   435570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91213e+03    1.91319e+04    1.28554e+04    1.17975e+03   -3.06749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92220e+03    9.27423e+04    4.03229e+05   -2.33709e+04   -2.98290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64523e+04   -2.45091e+06    4.79851e+05   -1.97106e+06    2.30282e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11096e+02   -2.07016e+02    1.92179e+01    5.81277e-06


DD  step 217789999 load imb.: force 16.1%  pme mesh/force 0.730
           Step           Time
      217790000   435580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08233e+03    1.96416e+04    1.30518e+04    1.21392e+03   -3.13966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77503e+03    9.28315e+04    3.99151e+05   -2.33571e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67196e+04   -2.44643e+06    4.79716e+05   -1.96671e+06    2.30288e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11008e+02   -2.06772e+02   -8.44926e+01    5.71079e-06


DD  step 217794999 load imb.: force 17.5%  pme mesh/force 0.751
           Step           Time
      217795000   435590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02212e+03    1.92986e+04    1.31600e+04    1.18311e+03   -3.03354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90693e+03    9.33081e+04    3.98903e+05   -2.33406e+04   -2.97283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65557e+04   -2.44387e+06    4.80170e+05   -1.96370e+06    2.30294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.06480e+02   -4.38528e+01    5.68207e-06


DD  step 217799999 load imb.: force 18.0%  pme mesh/force 0.774
           Step           Time
      217800000   435600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88104e+03    1.94681e+04    1.30786e+04    1.14309e+03   -3.10336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94530e+03    9.29613e+04    3.99966e+05   -2.34100e+04   -2.97504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65352e+04   -2.44558e+06    4.80342e+05   -1.96524e+06    2.30299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.07708e+02    6.24453e+01    5.65939e-06


DD  step 217804999 load imb.: force 18.0%  pme mesh/force 0.773
           Step           Time
      217805000   435610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10409e+03    1.93310e+04    1.31206e+04    1.10229e+03   -3.08862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75758e+03    9.27269e+04    4.00456e+05   -2.33908e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64953e+04   -2.44540e+06    4.79776e+05   -1.96563e+06    2.30305e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11048e+02   -2.07367e+02    2.43305e+01    5.69529e-06


DD  step 217809999 load imb.: force 17.2%  pme mesh/force 0.746
           Step           Time
      217810000   435620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14739e+03    1.94727e+04    1.31627e+04    1.12050e+03   -3.09183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65510e+03    9.28013e+04    4.02021e+05   -2.34309e+04   -2.98053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62993e+04   -2.44937e+06    4.80489e+05   -1.96888e+06    2.30311e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11510e+02   -2.08079e+02    2.81724e+01    5.74380e-06


DD  step 217814999 load imb.: force 18.1%  pme mesh/force 0.736
           Step           Time
      217815000   435630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96147e+03    1.97123e+04    1.30178e+04    1.17691e+03   -2.99138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76624e+03    9.30051e+04    4.01429e+05   -2.34178e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66120e+04   -2.44708e+06    4.78926e+05   -1.96815e+06    2.30317e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.07846e+02    8.40485e+01    5.70881e-06


DD  step 217819999 load imb.: force 19.3%  pme mesh/force 0.770
           Step           Time
      217820000   435640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82203e+03    1.91306e+04    1.30004e+04    1.20669e+03   -3.04808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82174e+03    9.34819e+04    4.01209e+05   -2.34513e+04   -2.98152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64018e+04   -2.45094e+06    4.78133e+05   -1.97281e+06    2.30323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09982e+02   -2.08440e+02    2.91047e+01    5.63657e-06


DD  step 217824999 load imb.: force 18.8%  pme mesh/force 0.779
           Step           Time
      217825000   435650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82178e+03    1.94953e+04    1.31252e+04    1.17977e+03   -3.03909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89235e+03    9.27673e+04    4.00115e+05   -2.34064e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63281e+04   -2.44751e+06    4.80571e+05   -1.96694e+06    2.30328e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11563e+02   -2.07645e+02    1.03554e+01    5.57754e-06

Writing checkpoint, step 217828350 at Tue Nov  7 17:46:28 2023



DD  step 217829999 load imb.: force 17.1%  pme mesh/force 0.780
           Step           Time
      217830000   435660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99847e+03    1.96654e+04    1.31626e+04    1.19415e+03   -3.13250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83951e+03    9.27760e+04    4.01501e+05   -2.33984e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67808e+04   -2.44675e+06    4.81724e+05   -1.96503e+06    2.30334e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12310e+02   -2.07503e+02    8.10038e+01    5.56756e-06


DD  step 217834999 load imb.: force 18.5%  pme mesh/force 0.766
           Step           Time
      217835000   435670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09337e+03    1.95894e+04    1.29782e+04    1.21033e+03   -3.08367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67817e+03    9.30139e+04    3.97071e+05   -2.33538e+04   -2.97161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65072e+04   -2.44491e+06    4.78912e+05   -1.96600e+06    2.30340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10487e+02   -2.06713e+02   -1.22393e+02    5.67336e-06


DD  step 217839999 load imb.: force 17.1%  pme mesh/force 0.737
           Step           Time
      217840000   435680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82565e+03    1.97278e+04    1.30827e+04    1.22521e+03   -3.04949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93088e+03    9.30781e+04    4.04367e+05   -2.33987e+04   -2.98135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63108e+04   -2.44725e+06    4.81463e+05   -1.96578e+06    2.30346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12141e+02   -2.07509e+02    2.13965e+02    5.71064e-06


DD  step 217844999 load imb.: force 16.4%  pme mesh/force 0.752
           Step           Time
      217845000   435690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86903e+03    1.92117e+04    1.30620e+04    1.13022e+03   -3.04822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83382e+03    9.31192e+04    3.99144e+05   -2.33603e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63155e+04   -2.44899e+06    4.81122e+05   -1.96786e+06    2.30351e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11920e+02   -2.06829e+02   -5.30570e+01    5.66358e-06


DD  step 217849999 load imb.: force 18.7%  pme mesh/force 0.746
           Step           Time
      217850000   435700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89125e+03    1.95447e+04    1.30473e+04    1.17745e+03   -2.99692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70222e+03    9.29023e+04    4.00137e+05   -2.33752e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65956e+04   -2.44692e+06    4.80916e+05   -1.96600e+06    2.30358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11786e+02   -2.07091e+02   -3.81039e+01    5.73988e-06


DD  step 217854999 load imb.: force 15.3%  pme mesh/force 0.746
           Step           Time
      217855000   435710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97448e+03    1.98878e+04    1.32096e+04    1.23966e+03   -3.12904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81208e+03    9.32299e+04    3.98250e+05   -2.34124e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67606e+04   -2.44478e+06    4.80330e+05   -1.96445e+06    2.30363e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11407e+02   -2.07751e+02   -4.22282e+01    5.60985e-06


DD  step 217859999 load imb.: force 17.2%  pme mesh/force 0.768
           Step           Time
      217860000   435720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02479e+03    1.95722e+04    1.31706e+04    1.30525e+03   -3.14051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82902e+03    9.30037e+04    3.98355e+05   -2.33814e+04   -2.97323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63553e+04   -2.44514e+06    4.80718e+05   -1.96442e+06    2.30369e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11658e+02   -2.07202e+02   -4.22309e+01    5.51670e-06


DD  step 217864999 load imb.: force 16.1%  pme mesh/force 0.754
           Step           Time
      217865000   435730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73072e+03    1.93604e+04    1.30602e+04    1.11644e+03   -3.07909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81991e+03    9.30552e+04    3.99767e+05   -2.33366e+04   -2.97377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64775e+04   -2.44479e+06    4.77870e+05   -1.96692e+06    2.30374e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09811e+02   -2.06409e+02    1.39088e+01    5.73217e-06


DD  step 217869999 load imb.: force 19.7%  pme mesh/force 0.785
           Step           Time
      217870000   435740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17648e+03    1.94481e+04    1.30291e+04    1.15902e+03   -3.13489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77203e+03    9.34921e+04    4.00237e+05   -2.33974e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64821e+04   -2.44782e+06    4.79160e+05   -1.96866e+06    2.30380e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10648e+02   -2.07485e+02   -4.40053e+00    5.76285e-06


DD  step 217874999 load imb.: force 18.7%  pme mesh/force 0.760
           Step           Time
      217875000   435750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12209e+03    1.96139e+04    1.31883e+04    1.24745e+03   -3.07683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83740e+03    9.34438e+04    4.02442e+05   -2.33882e+04   -2.98052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65525e+04   -2.44753e+06    4.82412e+05   -1.96512e+06    2.30386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12757e+02   -2.07322e+02    7.05294e+01    5.68922e-06


DD  step 217879999 load imb.: force 18.2%  pme mesh/force 0.783
           Step           Time
      217880000   435760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11833e+03    1.93246e+04    1.32781e+04    1.27049e+03   -3.10698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81636e+03    9.33035e+04    3.97685e+05   -2.34049e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66169e+04   -2.44828e+06    4.79679e+05   -1.96860e+06    2.30392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10985e+02   -2.07618e+02   -9.21980e+01    5.52777e-06


DD  step 217884999 load imb.: force 15.4%  pme mesh/force 0.743
           Step           Time
      217885000   435770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23210e+03    1.93339e+04    1.31009e+04    1.19341e+03   -2.95491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71315e+03    9.34668e+04    4.00127e+05   -2.33763e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66012e+04   -2.44459e+06    4.80197e+05   -1.96439e+06    2.30397e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.07112e+02   -1.15623e+01    5.94541e-06


DD  step 217889999 load imb.: force 16.4%  pme mesh/force 0.710
           Step           Time
      217890000   435780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13508e+03    1.93948e+04    1.31192e+04    1.16886e+03   -3.09274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79932e+03    9.30886e+04    3.99845e+05   -2.33223e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65012e+04   -2.44676e+06    4.79846e+05   -1.96691e+06    2.30403e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11093e+02   -2.06156e+02   -6.73676e+01    5.77319e-06


DD  step 217894999 load imb.: force 17.6%  pme mesh/force 0.712
           Step           Time
      217895000   435790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84168e+03    1.92221e+04    1.31201e+04    1.23213e+03   -3.08895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99538e+03    9.33825e+04    4.00954e+05   -2.33872e+04   -2.98048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65031e+04   -2.44971e+06    4.80367e+05   -1.96934e+06    2.30409e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11431e+02   -2.07304e+02    3.02698e+01    5.44434e-06


DD  step 217899999 load imb.: force 17.6%  pme mesh/force 0.741
           Step           Time
      217900000   435800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86212e+03    1.93242e+04    1.31701e+04    1.12102e+03   -3.11972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88719e+03    9.31275e+04    4.01120e+05   -2.33421e+04   -2.97409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69091e+04   -2.44303e+06    4.77729e+05   -1.96530e+06    2.30415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09720e+02   -2.06507e+02    5.57130e+01    5.73555e-06


DD  step 217904999 load imb.: force 16.0%  pme mesh/force 0.711
           Step           Time
      217905000   435810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02874e+03    1.98265e+04    1.28061e+04    1.14331e+03   -3.08413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01475e+03    9.29591e+04    4.01741e+05   -2.33993e+04   -2.97846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66015e+04   -2.44682e+06    4.79215e+05   -1.96761e+06    2.30421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.07518e+02    1.16150e+02    5.63863e-06


DD  step 217909999 load imb.: force 18.7%  pme mesh/force 0.736
           Step           Time
      217910000   435820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78344e+03    1.94973e+04    1.30818e+04    1.17259e+03   -3.02082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71184e+03    9.27157e+04    4.01196e+05   -2.33808e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66743e+04   -2.44856e+06    4.78767e+05   -1.96979e+06    2.30426e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10393e+02   -2.07191e+02    5.86295e+00    5.92160e-06


DD  step 217914999 load imb.: force 18.5%  pme mesh/force 0.773
           Step           Time
      217915000   435830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12786e+03    1.93962e+04    1.31608e+04    1.13427e+03   -3.06325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89554e+03    9.35937e+04    3.99413e+05   -2.33801e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66795e+04   -2.44631e+06    4.79087e+05   -1.96722e+06    2.30432e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10601e+02   -2.07179e+02   -3.95876e+01    5.81586e-06


DD  step 217919999 load imb.: force 15.7%  pme mesh/force 0.745
           Step           Time
      217920000   435840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04133e+03    1.95369e+04    1.30668e+04    1.16624e+03   -3.01255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79643e+03    9.35056e+04    4.00236e+05   -2.33493e+04   -2.97299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66692e+04   -2.44233e+06    4.80019e+05   -1.96231e+06    2.30438e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11205e+02   -2.06634e+02   -2.85916e+01    5.97646e-06


DD  step 217924999 load imb.: force 16.0%  pme mesh/force 0.721
           Step           Time
      217925000   435850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21043e+03    1.93644e+04    1.31880e+04    1.25343e+03   -3.12806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80874e+03    9.28537e+04    4.01293e+05   -2.33455e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64936e+04   -2.44728e+06    4.80220e+05   -1.96706e+06    2.30444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11335e+02   -2.06566e+02    3.02443e+01    5.82059e-06


DD  step 217929999 load imb.: force 18.6%  pme mesh/force 0.769
           Step           Time
      217930000   435860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99238e+03    1.94451e+04    1.32267e+04    1.16881e+03   -2.99079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74329e+03    9.26366e+04    3.98196e+05   -2.33575e+04   -2.97464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66335e+04   -2.44695e+06    4.80655e+05   -1.96630e+06    2.30450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11617e+02   -2.06779e+02   -8.55164e+01    5.90281e-06


DD  step 217934999 load imb.: force 19.6%  pme mesh/force 0.823
           Step           Time
      217935000   435870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73549e+03    1.95394e+04    1.30233e+04    1.18496e+03   -3.15941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87744e+03    9.30826e+04    4.00430e+05   -2.34174e+04   -2.98068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63142e+04   -2.45107e+06    4.79444e+05   -1.97163e+06    2.30456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10832e+02   -2.07839e+02   -2.33049e+01    5.79945e-06


DD  step 217939999 load imb.: force 17.4%  pme mesh/force 0.793
           Step           Time
      217940000   435880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11823e+03    1.94801e+04    1.33458e+04    1.25271e+03   -3.04189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91247e+03    9.26575e+04    3.97846e+05   -2.33795e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64908e+04   -2.44712e+06    4.80146e+05   -1.96698e+06    2.30461e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11287e+02   -2.07168e+02   -5.70407e+01    5.81216e-06


DD  step 217944999 load imb.: force 17.7%  pme mesh/force 0.785
           Step           Time
      217945000   435890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13461e+03    1.94067e+04    1.30953e+04    1.22415e+03   -3.06234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75145e+03    9.26113e+04    4.00158e+05   -2.33749e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63788e+04   -2.44866e+06    4.79246e+05   -1.96941e+06    2.30468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.07087e+02   -4.94588e+01    5.68790e-06


DD  step 217949999 load imb.: force 18.5%  pme mesh/force 0.813
           Step           Time
      217950000   435900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08835e+03    1.96432e+04    1.29677e+04    1.18281e+03   -2.91400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78873e+03    9.30001e+04    4.00345e+05   -2.34370e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65552e+04   -2.44462e+06    4.79671e+05   -1.96495e+06    2.30474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.08187e+02    4.43143e+01    5.63385e-06


DD  step 217954999 load imb.: force 17.5%  pme mesh/force 0.787
           Step           Time
      217955000   435910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91788e+03    1.94283e+04    1.31699e+04    1.17989e+03   -3.03659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79806e+03    9.32715e+04    4.01302e+05   -2.34256e+04   -2.97988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64114e+04   -2.44886e+06    4.80618e+05   -1.96824e+06    2.30479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11593e+02   -2.07985e+02    2.89027e+01    5.72931e-06


DD  step 217959999 load imb.: force 17.8%  pme mesh/force 0.806
           Step           Time
      217960000   435920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85662e+03    1.95329e+04    1.31826e+04    1.08369e+03   -3.11489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90393e+03    9.31653e+04    4.00912e+05   -2.33767e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65432e+04   -2.44820e+06    4.78912e+05   -1.96929e+06    2.30485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10487e+02   -2.07118e+02    3.43827e+01    5.62244e-06


DD  step 217964999 load imb.: force 18.6%  pme mesh/force 0.805
           Step           Time
      217965000   435930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34475e+03    1.93100e+04    1.30252e+04    1.20248e+03   -2.95080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71164e+03    9.35030e+04    3.98823e+05   -2.33484e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64291e+04   -2.44635e+06    4.80015e+05   -1.96633e+06    2.30491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11203e+02   -2.06617e+02   -1.02696e+02    5.63029e-06


DD  step 217969999 load imb.: force 18.3%  pme mesh/force 0.782
           Step           Time
      217970000   435940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97258e+03    1.91142e+04    1.29820e+04    1.21596e+03   -3.01650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01938e+03    9.30940e+04    4.00090e+05   -2.34220e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64617e+04   -2.44662e+06    4.80348e+05   -1.96628e+06    2.30497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.07921e+02    3.31840e+01    5.80690e-06


DD  step 217974999 load imb.: force 16.8%  pme mesh/force 0.800
           Step           Time
      217975000   435950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91742e+03    1.95446e+04    1.32123e+04    1.18977e+03   -3.04335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92705e+03    9.30988e+04    4.01851e+05   -2.33726e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64905e+04   -2.44800e+06    4.79739e+05   -1.96826e+06    2.30503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11024e+02   -2.07046e+02    4.79232e+01    5.63859e-06


DD  step 217979999 load imb.: force 17.0%  pme mesh/force 0.743
           Step           Time
      217980000   435960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18728e+03    1.94868e+04    1.31795e+04    1.21370e+03   -3.14479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76482e+03    9.32527e+04    4.01756e+05   -2.33604e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65341e+04   -2.44442e+06    4.82466e+05   -1.96195e+06    2.30509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12792e+02   -2.06829e+02    4.15501e+01    5.66876e-06


DD  step 217984999 load imb.: force 16.4%  pme mesh/force 0.750
           Step           Time
      217985000   435970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18482e+03    1.95512e+04    1.30846e+04    1.13028e+03   -3.13038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81835e+03    9.26669e+04    3.99309e+05   -2.33715e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65796e+04   -2.44770e+06    4.80998e+05   -1.96671e+06    2.30514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11840e+02   -2.07027e+02   -4.90879e+01    5.83150e-06


DD  step 217989999 load imb.: force 21.9%  pme mesh/force 0.822
           Step           Time
      217990000   435980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29200e+03    1.93428e+04    1.30883e+04    1.25681e+03   -3.13397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78987e+03    9.23440e+04    3.98415e+05   -2.34087e+04   -2.97392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65731e+04   -2.44636e+06    4.83177e+05   -1.96318e+06    2.30520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13252e+02   -2.07686e+02   -3.46128e+01    5.85131e-06


DD  step 217994999 load imb.: force 18.6%  pme mesh/force 0.757
           Step           Time
      217995000   435990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22551e+03    1.97958e+04    1.32427e+04    1.15948e+03   -3.01793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77792e+03    9.25921e+04    3.99939e+05   -2.33492e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65079e+04   -2.44617e+06    4.80197e+05   -1.96597e+06    2.30526e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11321e+02   -2.06632e+02   -3.30006e+01    5.82418e-06


DD  step 217999999 load imb.: force 17.4%  pme mesh/force 0.759
           Step           Time
      218000000   436000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03089e+03    1.91387e+04    1.30571e+04    1.14301e+03   -3.09924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87140e+03    9.30476e+04    4.00137e+05   -2.33607e+04   -2.97941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64495e+04   -2.45000e+06    4.80156e+05   -1.96984e+06    2.30532e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11294e+02   -2.06835e+02   -4.01230e+01    5.74560e-06


DD  step 218004999 load imb.: force 17.7%  pme mesh/force 0.793
           Step           Time
      218005000   436010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73043e+03    1.95355e+04    1.31340e+04    1.18348e+03   -3.03169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75353e+03    9.37438e+04    4.01496e+05   -2.34027e+04   -2.98178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63360e+04   -2.45030e+06    4.78224e+05   -1.97208e+06    2.30538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10041e+02   -2.07578e+02    9.01932e-01    5.53403e-06


DD  step 218009999 load imb.: force 21.1%  pme mesh/force 0.774
           Step           Time
      218010000   436020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00598e+03    1.90625e+04    1.31376e+04    1.14389e+03   -3.01757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91507e+03    9.33300e+04    4.00545e+05   -2.33405e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65161e+04   -2.44564e+06    4.79253e+05   -1.96639e+06    2.30543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10708e+02   -2.06477e+02   -3.71618e+01    5.62479e-06


DD  step 218014999 load imb.: force 15.4%  pme mesh/force 0.783
           Step           Time
      218015000   436030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99482e+03    1.92349e+04    1.30900e+04    1.25293e+03   -2.94037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98798e+03    9.32163e+04    3.99364e+05   -2.34115e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64014e+04   -2.44869e+06    4.80933e+05   -1.96776e+06    2.30549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11797e+02   -2.07735e+02   -1.79043e+01    5.74425e-06


DD  step 218019999 load imb.: force 17.5%  pme mesh/force 0.744
           Step           Time
      218020000   436040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98775e+03    1.92455e+04    1.31176e+04    1.11125e+03   -3.15947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84621e+03    9.36464e+04    4.00381e+05   -2.34111e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67452e+04   -2.44619e+06    4.79256e+05   -1.96693e+06    2.30555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.07728e+02    4.42287e+01    5.73790e-06


DD  step 218024999 load imb.: force 17.5%  pme mesh/force 0.792
           Step           Time
      218025000   436050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92670e+03    1.92152e+04    1.30396e+04    1.17977e+03   -3.12654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86869e+03    9.32055e+04    4.03382e+05   -2.34267e+04   -2.98376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63761e+04   -2.45112e+06    4.77125e+05   -1.97399e+06    2.30561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09329e+02   -2.08005e+02    9.76238e+01    5.73096e-06


DD  step 218029999 load imb.: force 18.6%  pme mesh/force 0.802
           Step           Time
      218030000   436060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09521e+03    1.90728e+04    1.30695e+04    1.20191e+03   -2.99510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88216e+03    9.28862e+04    4.01743e+05   -2.33609e+04   -2.98222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65070e+04   -2.45112e+06    4.80108e+05   -1.97101e+06    2.30566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.06839e+02    1.40428e+00    5.63503e-06


DD  step 218034999 load imb.: force 17.0%  pme mesh/force 0.766
           Step           Time
      218035000   436070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91538e+03    1.95467e+04    1.31355e+04    1.12782e+03   -2.96145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70560e+03    9.30674e+04    3.96051e+05   -2.33563e+04   -2.97285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65319e+04   -2.44709e+06    4.79056e+05   -1.96803e+06    2.30572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10581e+02   -2.06758e+02   -1.91736e+02    5.72409e-06


DD  step 218039999 load imb.: force 18.3%  pme mesh/force 0.752
           Step           Time
      218040000   436080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15439e+03    1.90023e+04    1.31247e+04    1.23828e+03   -3.10898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78917e+03    9.27822e+04    3.99180e+05   -2.33622e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66988e+04   -2.44715e+06    4.78418e+05   -1.96874e+06    2.30579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10167e+02   -2.06862e+02   -6.84108e+01    5.75411e-06


DD  step 218044999 load imb.: force 17.8%  pme mesh/force 0.756
           Step           Time
      218045000   436090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90839e+03    1.92935e+04    1.30700e+04    1.24224e+03   -3.07676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97436e+03    9.30440e+04    4.00646e+05   -2.34013e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66904e+04   -2.44677e+06    4.80453e+05   -1.96632e+06    2.30585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.07554e+02    2.88850e+01    5.74880e-06


DD  step 218049999 load imb.: force 17.9%  pme mesh/force 0.736
           Step           Time
      218050000   436100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09015e+03    1.96539e+04    1.30612e+04    1.09383e+03   -3.13543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88754e+03    9.25448e+04    4.03649e+05   -2.34104e+04   -2.98181e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64598e+04   -2.44892e+06    4.80773e+05   -1.96815e+06    2.30591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11694e+02   -2.07715e+02    8.10658e+01    5.69208e-06


DD  step 218054999 load imb.: force 19.6%  pme mesh/force 0.759
           Step           Time
      218055000   436110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06234e+03    1.97231e+04    1.28751e+04    1.12419e+03   -3.07500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90695e+03    9.27197e+04    4.00154e+05   -2.34195e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65018e+04   -2.44854e+06    4.79720e+05   -1.96882e+06    2.30596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.07877e+02   -4.15020e+01    5.52169e-06


DD  step 218059999 load imb.: force 18.3%  pme mesh/force 0.790
           Step           Time
      218060000   436120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78680e+03    1.93342e+04    1.29980e+04    1.16489e+03   -3.06905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98817e+03    9.31918e+04    4.01415e+05   -2.33492e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63920e+04   -2.44650e+06    4.78505e+05   -1.96799e+06    2.30602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10224e+02   -2.06631e+02    1.22728e+01    5.61568e-06


DD  step 218064999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      218065000   436130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89580e+03    1.93076e+04    1.30618e+04    1.17893e+03   -3.05321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77749e+03    9.29313e+04    4.03684e+05   -2.34070e+04   -2.98077e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63336e+04   -2.44806e+06    4.78769e+05   -1.96929e+06    2.30608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10395e+02   -2.07656e+02    1.21318e+02    5.62609e-06


DD  step 218069999 load imb.: force 16.3%  pme mesh/force 0.787
           Step           Time
      218070000   436140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02592e+03    1.98544e+04    1.30935e+04    1.19066e+03   -3.02040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70302e+03    9.30353e+04    4.01563e+05   -2.33984e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65663e+04   -2.44791e+06    4.81788e+05   -1.96612e+06    2.30614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12352e+02   -2.07502e+02    9.06453e+00    5.57843e-06


DD  step 218074999 load imb.: force 17.6%  pme mesh/force 0.769
           Step           Time
      218075000   436150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95383e+03    1.95161e+04    1.30140e+04    1.24107e+03   -2.98745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85437e+03    9.30386e+04    3.99940e+05   -2.34030e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63014e+04   -2.44594e+06    4.79348e+05   -1.96659e+06    2.30619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.07583e+02    1.28450e+01    5.58989e-06


DD  step 218079999 load imb.: force 19.8%  pme mesh/force 0.801
           Step           Time
      218080000   436160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01525e+03    1.89802e+04    1.31191e+04    1.20728e+03   -2.96682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86072e+03    9.34487e+04    3.99966e+05   -2.33852e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66819e+04   -2.44807e+06    4.79996e+05   -1.96807e+06    2.30625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11190e+02   -2.07269e+02   -3.13656e+01    5.75797e-06


DD  step 218084999 load imb.: force 18.6%  pme mesh/force 0.767
           Step           Time
      218085000   436170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96388e+03    1.95114e+04    1.31074e+04    1.15082e+03   -3.09962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81946e+03    9.23079e+04    3.99951e+05   -2.33993e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64184e+04   -2.44879e+06    4.78015e+05   -1.97077e+06    2.30631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09906e+02   -2.07519e+02    2.16315e+01    5.56715e-06


DD  step 218089999 load imb.: force 17.7%  pme mesh/force 0.777
           Step           Time
      218090000   436180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07141e+03    1.96531e+04    1.31383e+04    1.14150e+03   -3.08639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71357e+03    9.25657e+04    3.97279e+05   -2.33482e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65661e+04   -2.44731e+06    4.80244e+05   -1.96707e+06    2.30636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11351e+02   -2.06614e+02   -1.40660e+02    5.62668e-06


DD  step 218094999 load imb.: force 18.3%  pme mesh/force 0.787
           Step           Time
      218095000   436190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13130e+03    1.95178e+04    1.29298e+04    1.23163e+03   -3.09895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96503e+03    9.30196e+04    4.02358e+05   -2.33637e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65392e+04   -2.44343e+06    4.80323e+05   -1.96311e+06    2.30642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11402e+02   -2.06889e+02    9.02491e+01    5.69395e-06


DD  step 218099999 load imb.: force 15.5%  pme mesh/force 0.723
           Step           Time
      218100000   436200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24556e+03    1.95914e+04    1.31149e+04    1.19527e+03   -3.06005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78164e+03    9.30485e+04    4.03986e+05   -2.34184e+04   -2.98386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63358e+04   -2.45004e+06    4.81335e+05   -1.96871e+06    2.30648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12058e+02   -2.07857e+02    7.14915e+01    5.50352e-06


DD  step 218104999 load imb.: force 15.6%  pme mesh/force 0.720
           Step           Time
      218105000   436210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09295e+03    1.94077e+04    1.30482e+04    1.24827e+03   -3.05489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93779e+03    9.27698e+04    3.99450e+05   -2.33755e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65973e+04   -2.44677e+06    4.81097e+05   -1.96568e+06    2.30654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11904e+02   -2.07098e+02   -2.51899e+01    5.61960e-06


DD  step 218109999 load imb.: force 17.5%  pme mesh/force 0.765
           Step           Time
      218110000   436220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13765e+03    1.91470e+04    1.29932e+04    1.24004e+03   -3.02071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83862e+03    9.30163e+04    4.03641e+05   -2.33592e+04   -2.98262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65966e+04   -2.44939e+06    4.78026e+05   -1.97136e+06    2.30660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09913e+02   -2.06808e+02    5.11751e+01    5.45201e-06


DD  step 218114999 load imb.: force 16.4%  pme mesh/force 0.749
           Step           Time
      218115000   436230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.46401e+03    1.92198e+04    1.29618e+04    1.12789e+03   -3.03478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78186e+03    9.26606e+04    4.00959e+05   -2.33805e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64321e+04   -2.44762e+06    4.79751e+05   -1.96786e+06    2.30665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11031e+02   -2.07185e+02   -1.27002e+01    5.69144e-06


DD  step 218119999 load imb.: force 18.4%  pme mesh/force 0.784
           Step           Time
      218120000   436240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19521e+03    1.94174e+04    1.31059e+04    1.12961e+03   -3.11957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77625e+03    9.25083e+04    4.03380e+05   -2.33667e+04   -2.98244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66317e+04   -2.44978e+06    4.79495e+05   -1.97029e+06    2.30670e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.06941e+02   -9.22624e+00    5.76408e-06


DD  step 218124999 load imb.: force 16.3%  pme mesh/force 0.747
           Step           Time
      218125000   436250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14432e+03    1.93308e+04    1.29002e+04    1.11935e+03   -2.87787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97011e+03    9.27549e+04    4.02824e+05   -2.33812e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66446e+04   -2.44665e+06    4.79196e+05   -1.96746e+06    2.30677e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10671e+02   -2.07198e+02    7.88141e+01    5.58839e-06


DD  step 218129999 load imb.: force 17.2%  pme mesh/force 0.772
           Step           Time
      218130000   436260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00592e+03    1.98240e+04    1.30130e+04    1.28985e+03   -2.95146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70714e+03    9.31478e+04    4.00259e+05   -2.33666e+04   -2.97376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65014e+04   -2.44333e+06    4.81563e+05   -1.96176e+06    2.30682e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12206e+02   -2.06939e+02    4.52801e+01    5.66955e-06


DD  step 218134999 load imb.: force 16.1%  pme mesh/force 0.722
           Step           Time
      218135000   436270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94772e+03    1.93610e+04    1.30293e+04    1.19004e+03   -2.96830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97241e+03    9.30484e+04    3.99629e+05   -2.34168e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64621e+04   -2.44588e+06    4.80081e+05   -1.96580e+06    2.30688e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11245e+02   -2.07829e+02    5.53099e+01    5.75238e-06


DD  step 218139999 load imb.: force 19.5%  pme mesh/force 0.755
           Step           Time
      218140000   436280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05304e+03    1.96462e+04    1.30720e+04    1.13133e+03   -3.07382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87366e+03    9.30910e+04    3.99267e+05   -2.34088e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65097e+04   -2.44719e+06    4.80392e+05   -1.96680e+06    2.30694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11446e+02   -2.07686e+02   -5.17444e+00    5.79278e-06


DD  step 218144999 load imb.: force 17.1%  pme mesh/force 0.772
           Step           Time
      218145000   436290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99026e+03    1.93970e+04    1.29985e+04    1.17349e+03   -3.02459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86664e+03    9.27951e+04    3.98791e+05   -2.33549e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66402e+04   -2.44517e+06    4.79218e+05   -1.96595e+06    2.30699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10686e+02   -2.06732e+02   -1.14434e+01    5.90861e-06


DD  step 218149999 load imb.: force 18.1%  pme mesh/force 0.775
           Step           Time
      218150000   436300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99898e+03    1.91809e+04    1.30681e+04    1.22900e+03   -3.06166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80122e+03    9.24628e+04    3.96646e+05   -2.33644e+04   -2.97306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64844e+04   -2.44761e+06    4.79424e+05   -1.96819e+06    2.30705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10819e+02   -2.06901e+02   -1.77748e+02    5.73975e-06


DD  step 218154999 load imb.: force 15.6%  pme mesh/force 0.736
           Step           Time
      218155000   436310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00745e+03    1.92619e+04    1.32277e+04    1.19382e+03   -2.99159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84729e+03    9.33283e+04    3.98707e+05   -2.33677e+04   -2.97393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64001e+04   -2.44532e+06    4.79422e+05   -1.96590e+06    2.30711e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.06960e+02   -7.88130e+01    5.71819e-06

Writing checkpoint, step 218157850 at Tue Nov  7 18:01:28 2023



DD  step 218159999 load imb.: force 19.0%  pme mesh/force 0.733
           Step           Time
      218160000   436320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07366e+03    2.02800e+04    1.28231e+04    1.18780e+03   -3.03972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82973e+03    9.29649e+04    4.04000e+05   -2.33894e+04   -2.98162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66981e+04   -2.44719e+06    4.79379e+05   -1.96781e+06    2.30717e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10790e+02   -2.07343e+02    8.09216e+01    5.55009e-06


DD  step 218164999 load imb.: force 17.3%  pme mesh/force 0.772
           Step           Time
      218165000   436330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07727e+03    1.93312e+04    1.30511e+04    1.24417e+03   -3.13286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82363e+03    9.33063e+04    4.02240e+05   -2.33205e+04   -2.98025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66955e+04   -2.44793e+06    4.80258e+05   -1.96768e+06    2.30723e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.06125e+02   -1.00058e+01    5.63269e-06


DD  step 218169999 load imb.: force 15.4%  pme mesh/force 0.711
           Step           Time
      218170000   436340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15872e+03    1.93689e+04    1.29342e+04    1.14979e+03   -3.03941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96247e+03    9.34250e+04    4.01156e+05   -2.33773e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63462e+04   -2.44671e+06    4.78400e+05   -1.96831e+06    2.30729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10155e+02   -2.07129e+02    4.78405e+01    5.67049e-06


DD  step 218174999 load imb.: force 15.9%  pme mesh/force 0.728
           Step           Time
      218175000   436350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96362e+03    1.94820e+04    1.29600e+04    1.29095e+03   -3.02380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73094e+03    9.26423e+04    4.03541e+05   -2.34199e+04   -2.98379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64744e+04   -2.45114e+06    4.78838e+05   -1.97231e+06    2.30734e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10439e+02   -2.07884e+02    5.96839e+01    5.46963e-06


DD  step 218179999 load imb.: force 17.0%  pme mesh/force 0.737
           Step           Time
      218180000   436360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94230e+03    1.94081e+04    1.30231e+04    1.07488e+03   -3.05397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81539e+03    9.31461e+04    4.00338e+05   -2.33529e+04   -2.97303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65997e+04   -2.44309e+06    4.80834e+05   -1.96226e+06    2.30740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11733e+02   -2.06698e+02    1.77174e+01    5.71363e-06


DD  step 218184999 load imb.: force 18.2%  pme mesh/force 0.756
           Step           Time
      218185000   436370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99525e+03    1.97167e+04    1.29532e+04    1.15827e+03   -3.03292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83298e+03    9.29626e+04    4.02425e+05   -2.34079e+04   -2.97933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63297e+04   -2.44740e+06    4.79869e+05   -1.96753e+06    2.30746e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11108e+02   -2.07670e+02    5.86075e+01    5.55369e-06


DD  step 218189999 load imb.: force 15.8%  pme mesh/force 0.745
           Step           Time
      218190000   436380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99257e+03    1.96755e+04    1.31009e+04    1.13341e+03   -2.99616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84991e+03    9.23348e+04    4.03822e+05   -2.33694e+04   -2.98058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66416e+04   -2.44740e+06    4.80182e+05   -1.96721e+06    2.30752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11311e+02   -2.06989e+02    9.12039e+01    5.66931e-06


DD  step 218194999 load imb.: force 19.1%  pme mesh/force 0.718
           Step           Time
      218195000   436390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97608e+03    1.95446e+04    1.31209e+04    1.17090e+03   -3.00026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91921e+03    9.32521e+04    4.01306e+05   -2.34055e+04   -2.97905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64747e+04   -2.44769e+06    4.79872e+05   -1.96782e+06    2.30758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11110e+02   -2.07628e+02    2.99185e+01    5.56157e-06


DD  step 218199999 load imb.: force 18.3%  pme mesh/force 0.775
           Step           Time
      218200000   436400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17398e+03    1.95227e+04    1.30564e+04    1.20902e+03   -3.10740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90424e+03    9.31359e+04    4.02920e+05   -2.33846e+04   -2.97958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63245e+04   -2.44682e+06    4.78374e+05   -1.96845e+06    2.30764e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10138e+02   -2.07258e+02    7.05601e+01    5.60091e-06


DD  step 218204999 load imb.: force 18.4%  pme mesh/force 0.789
           Step           Time
      218205000   436410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92962e+03    1.92399e+04    1.29591e+04    1.15338e+03   -3.03750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80553e+03    9.31357e+04    4.02037e+05   -2.33972e+04   -2.98148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65151e+04   -2.45013e+06    4.77843e+05   -1.97229e+06    2.30769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09794e+02   -2.07481e+02    2.62196e+01    5.61482e-06


DD  step 218209999 load imb.: force 17.5%  pme mesh/force 0.725
           Step           Time
      218210000   436420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96594e+03    1.96317e+04    1.31236e+04    1.33584e+03   -2.95227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76066e+03    9.28221e+04    4.01387e+05   -2.33807e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66259e+04   -2.44523e+06    4.81077e+05   -1.96416e+06    2.30775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11891e+02   -2.07189e+02    7.37310e+01    5.57696e-06


DD  step 218214999 load imb.: force 18.2%  pme mesh/force 0.754
           Step           Time
      218215000   436430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11623e+03    1.94020e+04    1.31529e+04    1.14804e+03   -2.97851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77137e+03    9.24895e+04    4.00071e+05   -2.33528e+04   -2.97714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63811e+04   -2.44794e+06    4.77926e+05   -1.97001e+06    2.30781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09848e+02   -2.06696e+02   -1.91398e+01    5.44388e-06


DD  step 218219999 load imb.: force 17.8%  pme mesh/force 0.780
           Step           Time
      218220000   436440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05410e+03    1.96088e+04    1.30932e+04    1.24368e+03   -3.02577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77888e+03    9.23476e+04    4.02620e+05   -2.33933e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64865e+04   -2.44889e+06    4.80631e+05   -1.96826e+06    2.30786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11602e+02   -2.07412e+02    4.58530e+01    5.50144e-06


DD  step 218224999 load imb.: force 17.5%  pme mesh/force 0.758
           Step           Time
      218225000   436450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99356e+03    1.91407e+04    1.28972e+04    1.16127e+03   -3.06854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88170e+03    9.33922e+04    4.01268e+05   -2.34131e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65907e+04   -2.44689e+06    4.78790e+05   -1.96810e+06    2.30792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10408e+02   -2.07763e+02    4.72548e+01    5.55577e-06


DD  step 218229999 load imb.: force 17.4%  pme mesh/force 0.766
           Step           Time
      218230000   436460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97544e+03    1.93944e+04    1.30312e+04    1.20493e+03   -3.16363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88382e+03    9.29060e+04    3.99833e+05   -2.33521e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64006e+04   -2.44796e+06    4.78493e+05   -1.96947e+06    2.30798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10216e+02   -2.06684e+02   -5.79197e+01    5.47697e-06


DD  step 218234999 load imb.: force 16.8%  pme mesh/force 0.735
           Step           Time
      218235000   436470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03738e+03    1.99104e+04    1.31956e+04    1.24039e+03   -3.07154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79850e+03    9.23109e+04    4.01926e+05   -2.34253e+04   -2.97885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66056e+04   -2.44732e+06    4.79922e+05   -1.96740e+06    2.30804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11142e+02   -2.07980e+02    6.80544e+01    5.55380e-06


DD  step 218239999 load imb.: force 16.1%  pme mesh/force 0.721
           Step           Time
      218240000   436480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94510e+03    1.93064e+04    1.30226e+04    1.17411e+03   -3.09858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71460e+03    9.30863e+04    4.00826e+05   -2.34376e+04   -2.98048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64147e+04   -2.45053e+06    4.81091e+05   -1.96944e+06    2.30809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11900e+02   -2.08197e+02   -2.85043e+01    5.66724e-06


DD  step 218244999 load imb.: force 17.8%  pme mesh/force 0.789
           Step           Time
      218245000   436490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92733e+03    1.91791e+04    1.29971e+04    1.15646e+03   -3.02918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83087e+03    9.24655e+04    4.00607e+05   -2.33228e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65240e+04   -2.44782e+06    4.76632e+05   -1.97119e+06    2.30816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09009e+02   -2.06166e+02   -7.09148e+01    5.50831e-06


DD  step 218249999 load imb.: force 18.2%  pme mesh/force 0.766
           Step           Time
      218250000   436500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97001e+03    1.98762e+04    1.31389e+04    1.11525e+03   -3.11633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84660e+03    9.26151e+04    3.98467e+05   -2.33544e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65679e+04   -2.44793e+06    4.78413e+05   -1.96952e+06    2.30822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10164e+02   -2.06725e+02   -8.04472e+01    5.61784e-06


DD  step 218254999 load imb.: force 18.3%  pme mesh/force 0.759
           Step           Time
      218255000   436510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80230e+03    1.94399e+04    1.31321e+04    1.17645e+03   -3.16219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83015e+03    9.34036e+04    3.99036e+05   -2.33664e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65052e+04   -2.44594e+06    4.80386e+05   -1.96556e+06    2.30827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11443e+02   -2.06936e+02    1.13119e+01    5.56374e-06


DD  step 218259999 load imb.: force 18.3%  pme mesh/force 0.719
           Step           Time
      218260000   436520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97352e+03    1.94207e+04    1.30572e+04    1.17156e+03   -2.97149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83520e+03    9.28260e+04    3.99816e+05   -2.33443e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65444e+04   -2.44546e+06    4.78480e+05   -1.96698e+06    2.30833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10207e+02   -2.06545e+02   -3.56550e+01    5.51423e-06


DD  step 218264999 load imb.: force 17.1%  pme mesh/force 0.756
           Step           Time
      218265000   436530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09857e+03    1.92890e+04    1.30556e+04    1.10630e+03   -3.05929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79653e+03    9.24808e+04    3.98302e+05   -2.33629e+04   -2.97383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67852e+04   -2.44634e+06    4.80697e+05   -1.96565e+06    2.30838e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11644e+02   -2.06874e+02   -7.59469e+01    5.45141e-06


DD  step 218269999 load imb.: force 17.3%  pme mesh/force 0.740
           Step           Time
      218270000   436540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17554e+03    1.95048e+04    1.30212e+04    1.07111e+03   -3.12281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83412e+03    9.27575e+04    4.01518e+05   -2.33814e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64529e+04   -2.44732e+06    4.78270e+05   -1.96905e+06    2.30845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10071e+02   -2.07202e+02    1.84035e+01    5.64261e-06


DD  step 218274999 load imb.: force 21.0%  pme mesh/force 0.777
           Step           Time
      218275000   436550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94765e+03    1.94771e+04    1.30170e+04    1.20557e+03   -2.90943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71331e+03    9.26221e+04    3.98898e+05   -2.34179e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64678e+04   -2.44847e+06    4.79117e+05   -1.96935e+06    2.30850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10620e+02   -2.07848e+02   -6.21679e+01    5.64597e-06


DD  step 218279999 load imb.: force 16.4%  pme mesh/force 0.749
           Step           Time
      218280000   436560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14680e+03    1.97630e+04    1.31646e+04    1.26071e+03   -3.15611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78667e+03    9.26847e+04    3.99076e+05   -2.33533e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64780e+04   -2.44551e+06    4.81584e+05   -1.96393e+06    2.30856e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12219e+02   -2.06705e+02   -1.31597e+01    5.56190e-06


DD  step 218284999 load imb.: force 19.0%  pme mesh/force 0.742
           Step           Time
      218285000   436570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95159e+03    1.96937e+04    1.31574e+04    1.16911e+03   -3.17642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75547e+03    9.27783e+04    3.99335e+05   -2.34004e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64919e+04   -2.44702e+06    4.78610e+05   -1.96841e+06    2.30861e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10291e+02   -2.07538e+02   -5.50444e+01    5.45354e-06


DD  step 218289999 load imb.: force 15.9%  pme mesh/force 0.786
           Step           Time
      218290000   436580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99454e+03    1.96309e+04    1.27741e+04    1.15341e+03   -3.02260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81794e+03    9.29140e+04    4.04392e+05   -2.34102e+04   -2.98322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64441e+04   -2.44953e+06    4.79351e+05   -1.97018e+06    2.30868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10772e+02   -2.07711e+02    1.31356e+02    5.53112e-06


DD  step 218294999 load imb.: force 17.5%  pme mesh/force 0.758
           Step           Time
      218295000   436590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03366e+03    1.94088e+04    1.28174e+04    1.09973e+03   -3.07280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85966e+03    9.28441e+04    3.98172e+05   -2.33305e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64100e+04   -2.44773e+06    4.77273e+05   -1.97046e+06    2.30873e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09425e+02   -2.06301e+02   -1.36607e+02    5.47209e-06


DD  step 218299999 load imb.: force 16.7%  pme mesh/force 0.722
           Step           Time
      218300000   436600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96718e+03    1.92145e+04    1.30358e+04    1.25340e+03   -3.09256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86655e+03    9.29347e+04    4.01711e+05   -2.33675e+04   -2.98140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63788e+04   -2.45049e+06    4.78650e+05   -1.97184e+06    2.30879e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.06955e+02   -1.05507e+01    5.44100e-06


DD  step 218304999 load imb.: force 16.6%  pme mesh/force 0.755
           Step           Time
      218305000   436610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26910e+03    1.94182e+04    1.31766e+04    1.22305e+03   -3.11258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77190e+03    9.24305e+04    4.01617e+05   -2.33734e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63809e+04   -2.44624e+06    4.79602e+05   -1.96664e+06    2.30884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.07061e+02    3.10246e+01    5.40565e-06


DD  step 218309999 load imb.: force 17.1%  pme mesh/force 0.778
           Step           Time
      218310000   436620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97078e+03    1.93780e+04    1.30704e+04    1.25750e+03   -3.14437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89915e+03    9.26868e+04    4.02385e+05   -2.33429e+04   -2.98092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64633e+04   -2.44930e+06    4.79503e+05   -1.96979e+06    2.30891e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10870e+02   -2.06521e+02    2.28475e+01    5.50103e-06


DD  step 218314999 load imb.: force 17.1%  pme mesh/force 0.771
           Step           Time
      218315000   436630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10786e+03    1.94322e+04    1.31015e+04    1.22382e+03   -3.16315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86879e+03    9.26406e+04    4.00852e+05   -2.33698e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64613e+04   -2.44837e+06    4.78820e+05   -1.96955e+06    2.30897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10428e+02   -2.06996e+02   -3.54039e+01    5.56480e-06


DD  step 218319999 load imb.: force 18.8%  pme mesh/force 0.754
           Step           Time
      218320000   436640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03164e+03    1.91979e+04    1.30151e+04    1.11340e+03   -3.14550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80336e+03    9.30458e+04    4.00927e+05   -2.33958e+04   -2.97796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66291e+04   -2.44774e+06    4.79991e+05   -1.96775e+06    2.30902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11187e+02   -2.07456e+02   -2.14689e+01    5.44990e-06


DD  step 218324999 load imb.: force 19.4%  pme mesh/force 0.795
           Step           Time
      218325000   436650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24845e+03    1.97410e+04    1.30567e+04    1.24974e+03   -3.10065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84109e+03    9.26295e+04    4.00993e+05   -2.33756e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64159e+04   -2.44621e+06    4.80614e+05   -1.96559e+06    2.30908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11591e+02   -2.07098e+02    2.60023e+01    5.38164e-06


DD  step 218329999 load imb.: force 18.2%  pme mesh/force 0.803
           Step           Time
      218330000   436660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33171e+03    1.96564e+04    1.30058e+04    1.14364e+03   -3.00368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88131e+03    9.26165e+04    4.00851e+05   -2.33867e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65177e+04   -2.44724e+06    4.80351e+05   -1.96689e+06    2.30914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11420e+02   -2.07296e+02    4.37956e+01    5.40445e-06


DD  step 218334999 load imb.: force 17.5%  pme mesh/force 0.756
           Step           Time
      218335000   436670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88777e+03    1.94107e+04    1.29541e+04    1.07557e+03   -3.12979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83130e+03    9.32068e+04    4.02022e+05   -2.33472e+04   -2.98037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64242e+04   -2.44904e+06    4.79012e+05   -1.97002e+06    2.30920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10552e+02   -2.06597e+02    6.50740e+00    5.42401e-06


DD  step 218339999 load imb.: force 19.9%  pme mesh/force 0.777
           Step           Time
      218340000   436680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10589e+03    1.90596e+04    1.31362e+04    1.14303e+03   -3.09791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90658e+03    9.30240e+04    4.02640e+05   -2.33721e+04   -2.98103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64652e+04   -2.44902e+06    4.78905e+05   -1.97012e+06    2.30925e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10483e+02   -2.07038e+02    1.83809e+00    5.59493e-06


DD  step 218344999 load imb.: force 17.8%  pme mesh/force 0.779
           Step           Time
      218345000   436690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83147e+03    1.96899e+04    1.30669e+04    1.24300e+03   -3.09897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84095e+03    9.27889e+04    4.01376e+05   -2.33839e+04   -2.97999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64717e+04   -2.44916e+06    4.80389e+05   -1.96877e+06    2.30931e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11444e+02   -2.07246e+02   -1.10115e+01    5.53670e-06


DD  step 218349999 load imb.: force 18.0%  pme mesh/force 0.782
           Step           Time
      218350000   436700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88177e+03    1.96397e+04    1.30699e+04    1.20503e+03   -3.00125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80982e+03    9.32997e+04    4.00250e+05   -2.33867e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64478e+04   -2.44706e+06    4.79291e+05   -1.96777e+06    2.30937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10733e+02   -2.07295e+02   -1.04391e+01    5.56482e-06


DD  step 218354999 load imb.: force 18.2%  pme mesh/force 0.762
           Step           Time
      218355000   436710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93038e+03    1.93830e+04    1.30026e+04    1.11554e+03   -3.08440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68918e+03    9.28751e+04    3.99577e+05   -2.33999e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64272e+04   -2.44933e+06    4.80333e+05   -1.96899e+06    2.30943e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.07530e+02   -7.75570e+01    5.44217e-06


DD  step 218359999 load imb.: force 18.4%  pme mesh/force 0.733
           Step           Time
      218360000   436720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05101e+03    1.93743e+04    1.32692e+04    1.24730e+03   -3.01755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82865e+03    9.30254e+04    3.99897e+05   -2.33568e+04   -2.97481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66474e+04   -2.44485e+06    4.81418e+05   -1.96343e+06    2.30949e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12112e+02   -2.06766e+02   -3.89785e+01    5.58850e-06


DD  step 218364999 load imb.: force 19.1%  pme mesh/force 0.756
           Step           Time
      218365000   436730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92208e+03    1.96544e+04    1.30098e+04    1.18299e+03   -3.09374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57302e+03    9.29423e+04    3.99909e+05   -2.33411e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64853e+04   -2.44786e+06    4.80387e+05   -1.96747e+06    2.30954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11444e+02   -2.06489e+02   -8.80658e+01    5.54558e-06


DD  step 218369999 load imb.: force 19.3%  pme mesh/force 0.759
           Step           Time
      218370000   436740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08106e+03    1.94590e+04    1.28609e+04    1.16272e+03   -3.11817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81740e+03    9.28568e+04    4.02407e+05   -2.33433e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66347e+04   -2.44546e+06    4.78923e+05   -1.96654e+06    2.30960e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10494e+02   -2.06528e+02    6.61986e+01    5.57611e-06


DD  step 218374999 load imb.: force 16.8%  pme mesh/force 0.742
           Step           Time
      218375000   436750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00745e+03    1.94405e+04    1.31279e+04    1.17357e+03   -3.16018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85093e+03    9.30554e+04    4.00996e+05   -2.33722e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65076e+04   -2.44823e+06    4.78903e+05   -1.96933e+06    2.30966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10481e+02   -2.07038e+02   -1.62314e+00    5.42910e-06


DD  step 218379999 load imb.: force 18.9%  pme mesh/force 0.772
           Step           Time
      218380000   436760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09541e+03    1.95990e+04    1.30237e+04    1.25107e+03   -3.03012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89447e+03    9.30133e+04    4.01313e+05   -2.34415e+04   -2.98008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61554e+04   -2.44921e+06    4.80128e+05   -1.96908e+06    2.30972e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.08266e+02    3.69569e+01    5.52435e-06


DD  step 218384999 load imb.: force 18.6%  pme mesh/force 0.749
           Step           Time
      218385000   436770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96893e+03    1.94603e+04    1.28435e+04    1.18978e+03   -3.09292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69892e+03    9.27834e+04    4.01408e+05   -2.33641e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64735e+04   -2.44677e+06    4.80173e+05   -1.96659e+06    2.30977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.06896e+02   -1.76319e+01    5.53019e-06


DD  step 218389999 load imb.: force 20.3%  pme mesh/force 0.786
           Step           Time
      218390000   436780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02283e+03    1.94230e+04    1.30993e+04    1.17921e+03   -3.09056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83239e+03    9.30594e+04    3.99140e+05   -2.34040e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65362e+04   -2.44863e+06    4.80238e+05   -1.96840e+06    2.30983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11347e+02   -2.07602e+02   -5.79857e+01    5.47119e-06


DD  step 218394999 load imb.: force 19.3%  pme mesh/force 0.743
           Step           Time
      218395000   436790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13280e+03    1.94547e+04    1.29774e+04    1.17831e+03   -3.04057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84412e+03    9.32137e+04    4.03076e+05   -2.34297e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65392e+04   -2.44542e+06    4.79132e+05   -1.96629e+06    2.30989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.08057e+02    6.76551e+01    5.58149e-06


DD  step 218399999 load imb.: force 16.8%  pme mesh/force 0.743
           Step           Time
      218400000   436800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12505e+03    1.95025e+04    1.30771e+04    1.16949e+03   -3.06287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94834e+03    9.32236e+04    4.00902e+05   -2.34321e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64283e+04   -2.44659e+06    4.79442e+05   -1.96714e+06    2.30995e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.08099e+02    6.79147e+01    5.63106e-06


DD  step 218404999 load imb.: force 17.6%  pme mesh/force 0.731
           Step           Time
      218405000   436810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76934e+03    1.98592e+04    1.29989e+04    1.15035e+03   -3.03685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83584e+03    9.26318e+04    3.99721e+05   -2.33720e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64643e+04   -2.44807e+06    4.78152e+05   -1.96992e+06    2.31001e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09994e+02   -2.07035e+02   -1.70914e+00    5.50648e-06


DD  step 218409999 load imb.: force 17.9%  pme mesh/force 0.778
           Step           Time
      218410000   436820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96033e+03    1.93545e+04    1.31989e+04    1.20407e+03   -3.08527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79812e+03    9.30627e+04    4.00093e+05   -2.33614e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63707e+04   -2.44784e+06    4.79198e+05   -1.96864e+06    2.31006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10673e+02   -2.06849e+02   -5.30807e+01    5.39654e-06


DD  step 218414999 load imb.: force 18.0%  pme mesh/force 0.801
           Step           Time
      218415000   436830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13191e+03    1.97236e+04    1.30913e+04    1.25485e+03   -3.08301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79936e+03    9.27115e+04    4.01270e+05   -2.33958e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67052e+04   -2.44525e+06    4.81729e+05   -1.96352e+06    2.31012e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12314e+02   -2.07457e+02    1.65029e+01    5.42888e-06


DD  step 218419999 load imb.: force 18.1%  pme mesh/force 0.757
           Step           Time
      218420000   436840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06993e+03    1.97782e+04    1.29324e+04    1.23686e+03   -3.16215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79235e+03    9.24061e+04    4.03100e+05   -2.33694e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66536e+04   -2.44723e+06    4.78508e+05   -1.96872e+06    2.31019e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10225e+02   -2.06990e+02    2.48230e+01    5.36547e-06


DD  step 218424999 load imb.: force 16.7%  pme mesh/force 0.696
           Step           Time
      218425000   436850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98174e+03    1.93512e+04    1.30470e+04    1.25408e+03   -3.21919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78422e+03    9.26745e+04    4.00282e+05   -2.33863e+04   -2.98102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64350e+04   -2.45182e+06    4.78271e+05   -1.97355e+06    2.31024e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10072e+02   -2.07288e+02   -3.50174e+01    5.19798e-06


DD  step 218429999 load imb.: force 16.8%  pme mesh/force 0.737
           Step           Time
      218430000   436860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92746e+03    1.97293e+04    1.28126e+04    1.11497e+03   -3.01783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81716e+03    9.25798e+04    4.00184e+05   -2.34297e+04   -2.97916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64717e+04   -2.44997e+06    4.78836e+05   -1.97113e+06    2.31030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10438e+02   -2.08057e+02   -1.17764e+01    5.43477e-06


DD  step 218434999 load imb.: force 17.5%  pme mesh/force 0.703
           Step           Time
      218435000   436870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05856e+03    1.93210e+04    1.30343e+04    1.22670e+03   -3.06841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81973e+03    9.30640e+04    3.99549e+05   -2.33543e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65315e+04   -2.44771e+06    4.78093e+05   -1.96962e+06    2.31035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09956e+02   -2.06723e+02   -7.04318e+01    5.56509e-06


DD  step 218439999 load imb.: force 18.4%  pme mesh/force 0.786
           Step           Time
      218440000   436880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83222e+03    1.97884e+04    1.29476e+04    1.16781e+03   -3.06440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.09707e+03    9.28637e+04    3.99046e+05   -2.33898e+04   -2.97427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64967e+04   -2.44549e+06    4.80722e+05   -1.96477e+06    2.31041e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11661e+02   -2.07350e+02    4.04604e+01    5.53704e-06


DD  step 218444999 load imb.: force 16.1%  pme mesh/force 0.733
           Step           Time
      218445000   436890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02266e+03    1.95613e+04    1.33472e+04    1.24955e+03   -3.04002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81685e+03    9.29051e+04    3.99930e+05   -2.33996e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64022e+04   -2.44644e+06    4.81342e+05   -1.96510e+06    2.31047e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12063e+02   -2.07525e+02    1.23204e+01    5.51257e-06


DD  step 218449999 load imb.: force 19.8%  pme mesh/force 0.725
           Step           Time
      218450000   436900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24214e+03    1.95315e+04    1.29598e+04    1.18718e+03   -3.21502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84136e+03    9.26438e+04    4.01120e+05   -2.33334e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63976e+04   -2.44850e+06    4.79612e+05   -1.96889e+06    2.31053e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.06353e+02   -3.30028e+01    5.53149e-06


DD  step 218454999 load imb.: force 21.2%  pme mesh/force 0.785
           Step           Time
      218455000   436910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04321e+03    1.92227e+04    1.32081e+04    1.21400e+03   -3.03384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90952e+03    9.30253e+04    4.01670e+05   -2.34249e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65404e+04   -2.44792e+06    4.79976e+05   -1.96794e+06    2.31059e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11177e+02   -2.07972e+02    5.31127e+01    5.46986e-06


DD  step 218459999 load imb.: force 17.4%  pme mesh/force 0.727
           Step           Time
      218460000   436920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09241e+03    1.98293e+04    1.29696e+04    1.11325e+03   -3.05635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86908e+03    9.30288e+04    3.99616e+05   -2.33830e+04   -2.97598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64591e+04   -2.44644e+06    4.79951e+05   -1.96649e+06    2.31065e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11161e+02   -2.07230e+02   -1.52908e+01    5.32869e-06


DD  step 218464999 load imb.: force 17.1%  pme mesh/force 0.719
           Step           Time
      218465000   436930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73131e+03    1.92686e+04    1.29175e+04    1.19755e+03   -2.97043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94689e+03    9.32962e+04    4.02183e+05   -2.34092e+04   -2.97910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65796e+04   -2.44736e+06    4.78651e+05   -1.96871e+06    2.31070e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10318e+02   -2.07693e+02    8.57792e+01    5.49267e-06


DD  step 218469999 load imb.: force 16.1%  pme mesh/force 0.768
           Step           Time
      218470000   436940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93507e+03    1.97009e+04    1.31809e+04    1.21247e+03   -3.15326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77375e+03    9.25493e+04    4.00396e+05   -2.33808e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63418e+04   -2.44731e+06    4.77815e+05   -1.96950e+06    2.31076e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09776e+02   -2.07191e+02    6.41365e+00    5.53234e-06


DD  step 218474999 load imb.: force 19.1%  pme mesh/force 0.723
           Step           Time
      218475000   436950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07316e+03    1.98085e+04    1.30262e+04    1.18391e+03   -3.00144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78906e+03    9.31471e+04    4.01008e+05   -2.34413e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64671e+04   -2.44407e+06    4.82250e+05   -1.96182e+06    2.31082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12651e+02   -2.08263e+02    5.37132e+01    5.45930e-06


DD  step 218479999 load imb.: force 20.7%  pme mesh/force 0.789
           Step           Time
      218480000   436960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97036e+03    1.95494e+04    1.29890e+04    1.18098e+03   -3.06019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73024e+03    9.27522e+04    4.00617e+05   -2.33472e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65940e+04   -2.44725e+06    4.78441e+05   -1.96881e+06    2.31088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10182e+02   -2.06597e+02   -3.95639e+01    5.46074e-06


DD  step 218484999 load imb.: force 20.1%  pme mesh/force 0.755
           Step           Time
      218485000   436970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94988e+03    1.96553e+04    1.30575e+04    1.13921e+03   -3.02300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89033e+03    9.26511e+04    3.99594e+05   -2.33136e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66130e+04   -2.44570e+06    4.81534e+05   -1.96417e+06    2.31094e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12187e+02   -2.06003e+02   -2.79249e+01    5.34035e-06

Writing checkpoint, step 218486800 at Tue Nov  7 18:16:28 2023



DD  step 218489999 load imb.: force 17.8%  pme mesh/force 0.703
           Step           Time
      218490000   436980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07554e+03    1.94800e+04    1.31403e+04    1.13455e+03   -3.07102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76670e+03    9.25624e+04    4.03162e+05   -2.33761e+04   -2.98185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65178e+04   -2.44946e+06    4.78197e+05   -1.97126e+06    2.31099e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10024e+02   -2.07108e+02    3.29541e+01    5.45334e-06


DD  step 218494999 load imb.: force 16.1%  pme mesh/force 0.739
           Step           Time
      218495000   436990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08671e+03    1.98867e+04    1.30868e+04    1.13042e+03   -3.05644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86553e+03    9.23588e+04    3.99466e+05   -2.33358e+04   -2.97255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65591e+04   -2.44351e+06    4.80389e+05   -1.96312e+06    2.31105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11445e+02   -2.06395e+02   -1.66054e+01    5.44212e-06


DD  step 218499999 load imb.: force 15.9%  pme mesh/force 0.773
           Step           Time
      218500000   437000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31380e+03    1.97893e+04    1.31591e+04    1.24054e+03   -3.05342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83565e+03    9.24408e+04    4.02063e+05   -2.33971e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64442e+04   -2.44453e+06    4.82619e+05   -1.96191e+06    2.31111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12891e+02   -2.07479e+02    7.55505e+01    5.40193e-06


DD  step 218504999 load imb.: force 21.2%  pme mesh/force 0.798
           Step           Time
      218505000   437010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88904e+03    1.94716e+04    1.30626e+04    1.21116e+03   -3.13518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88903e+03    9.30161e+04    4.01265e+05   -2.33766e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66262e+04   -2.44749e+06    4.80944e+05   -1.96655e+06    2.31117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11804e+02   -2.07117e+02   -1.81061e+01    5.40358e-06


DD  step 218509999 load imb.: force 18.1%  pme mesh/force 0.745
           Step           Time
      218510000   437020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13613e+03    1.97849e+04    1.30219e+04    1.18613e+03   -3.03369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87661e+03    9.30399e+04    4.01759e+05   -2.34377e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64114e+04   -2.44604e+06    4.81790e+05   -1.96425e+06    2.31123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12353e+02   -2.08200e+02    8.89941e+01    5.39070e-06


DD  step 218514999 load imb.: force 19.1%  pme mesh/force 0.804
           Step           Time
      218515000   437030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05676e+03    1.97460e+04    1.30642e+04    1.14229e+03   -3.09490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96805e+03    9.25524e+04    4.02614e+05   -2.33758e+04   -2.97910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65974e+04   -2.44683e+06    4.81034e+05   -1.96579e+06    2.31129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.07102e+02    1.04611e+02    5.45106e-06


DD  step 218519999 load imb.: force 20.9%  pme mesh/force 0.750
           Step           Time
      218520000   437040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98408e+03    1.99301e+04    1.31659e+04    1.17236e+03   -3.21663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93327e+03    9.29663e+04    4.00403e+05   -2.34262e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65352e+04   -2.44707e+06    4.81018e+05   -1.96605e+06    2.31134e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.07996e+02    2.49077e+01    5.49101e-06


DD  step 218524999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      218525000   437050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97908e+03    1.92112e+04    1.28748e+04    1.18211e+03   -2.87643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69565e+03    9.30575e+04    4.03735e+05   -2.33701e+04   -2.98200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63866e+04   -2.44913e+06    4.79443e+05   -1.96968e+06    2.31140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.07002e+02    3.74772e+01    5.55263e-06


DD  step 218529999 load imb.: force 18.0%  pme mesh/force 0.730
           Step           Time
      218530000   437060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11823e+03    1.94848e+04    1.28225e+04    1.12728e+03   -3.06061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86586e+03    9.30600e+04    3.98961e+05   -2.34032e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64592e+04   -2.44780e+06    4.79215e+05   -1.96858e+06    2.31146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.07588e+02   -6.95230e+00    5.32960e-06


DD  step 218534999 load imb.: force 17.1%  pme mesh/force 0.760
           Step           Time
      218535000   437070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80221e+03    1.93807e+04    1.30130e+04    1.10282e+03   -3.12492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95967e+03    9.32813e+04    4.00908e+05   -2.33737e+04   -2.97896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65282e+04   -2.44848e+06    4.81308e+05   -1.96717e+06    2.31151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12041e+02   -2.07065e+02    2.89926e+01    5.54339e-06


DD  step 218539999 load imb.: force 17.0%  pme mesh/force 0.747
           Step           Time
      218540000   437080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89072e+03    1.95044e+04    1.30487e+04    1.13688e+03   -3.15437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75761e+03    9.30428e+04    4.00475e+05   -2.34488e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63727e+04   -2.44796e+06    4.79800e+05   -1.96816e+06    2.31157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11063e+02   -2.08397e+02    1.55804e+01    5.62753e-06


DD  step 218544999 load imb.: force 19.2%  pme mesh/force 0.822
           Step           Time
      218545000   437090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29355e+03    1.98504e+04    1.30480e+04    1.23022e+03   -3.05424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87089e+03    9.30401e+04    3.96451e+05   -2.33226e+04   -2.97079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65892e+04   -2.44379e+06    4.81506e+05   -1.96229e+06    2.31164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12169e+02   -2.06161e+02   -8.17789e+01    5.49673e-06


DD  step 218549999 load imb.: force 18.5%  pme mesh/force 0.744
           Step           Time
      218550000   437100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98192e+03    1.95629e+04    1.31303e+04    1.21537e+03   -3.03238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.07439e+03    9.30478e+04    3.98926e+05   -2.33732e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64704e+04   -2.44444e+06    4.79822e+05   -1.96461e+06    2.31169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.07056e+02    7.49896e+00    5.36742e-06


DD  step 218554999 load imb.: force 15.3%  pme mesh/force 0.741
           Step           Time
      218555000   437110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01382e+03    1.89392e+04    1.31949e+04    1.21600e+03   -3.06905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92755e+03    9.34471e+04    3.97801e+05   -2.33323e+04   -2.97198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64986e+04   -2.44434e+06    4.79694e+05   -1.96465e+06    2.31174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.06333e+02   -5.44884e+01    5.50485e-06


DD  step 218559999 load imb.: force 21.1%  pme mesh/force 0.781
           Step           Time
      218560000   437120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10679e+03    1.99161e+04    1.30080e+04    1.13000e+03   -3.10081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93729e+03    9.30525e+04    3.97967e+05   -2.34053e+04   -2.97473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62916e+04   -2.44683e+06    4.83169e+05   -1.96366e+06    2.31181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13247e+02   -2.07624e+02   -4.68722e+01    5.29179e-06


DD  step 218564999 load imb.: force 16.8%  pme mesh/force 0.740
           Step           Time
      218565000   437130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16401e+03    1.92959e+04    1.31777e+04    1.16874e+03   -3.02952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75995e+03    9.31204e+04    4.00415e+05   -2.33199e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64917e+04   -2.44689e+06    4.80243e+05   -1.96665e+06    2.31186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11350e+02   -2.06114e+02   -4.10231e+01    5.36216e-06


DD  step 218569999 load imb.: force 16.7%  pme mesh/force 0.729
           Step           Time
      218570000   437140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34896e+03    1.95828e+04    1.29682e+04    1.26749e+03   -3.08569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86781e+03    9.28216e+04    4.01955e+05   -2.33953e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63235e+04   -2.44574e+06    4.79548e+05   -1.96619e+06    2.31193e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10899e+02   -2.07447e+02    3.67189e+01    5.57696e-06


DD  step 218574999 load imb.: force 18.3%  pme mesh/force 0.780
           Step           Time
      218575000   437150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04978e+03    1.93010e+04    1.32406e+04    1.20133e+03   -3.14740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88182e+03    9.36041e+04    3.97389e+05   -2.33420e+04   -2.97235e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64707e+04   -2.44471e+06    4.79743e+05   -1.96496e+06    2.31199e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11026e+02   -2.06505e+02   -1.37261e+02    5.37471e-06


DD  step 218579999 load imb.: force 18.6%  pme mesh/force 0.773
           Step           Time
      218580000   437160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94483e+03    1.97043e+04    1.28325e+04    1.12714e+03   -3.03988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79193e+03    9.29551e+04    3.98250e+05   -2.33936e+04   -2.97373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63553e+04   -2.44621e+06    4.77202e+05   -1.96900e+06    2.31205e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09379e+02   -2.07418e+02   -3.47177e+01    5.53022e-06


DD  step 218584999 load imb.: force 18.6%  pme mesh/force 0.765
           Step           Time
      218585000   437170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98584e+03    1.96820e+04    1.31558e+04    1.16299e+03   -3.09101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81763e+03    9.32511e+04    3.99874e+05   -2.33731e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63627e+04   -2.44752e+06    4.79621e+05   -1.96790e+06    2.31210e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10947e+02   -2.07054e+02   -1.55865e+01    5.44806e-06


DD  step 218589999 load imb.: force 17.7%  pme mesh/force 0.754
           Step           Time
      218590000   437180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00735e+03    1.93529e+04    1.32931e+04    1.27356e+03   -3.14601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74672e+03    9.34478e+04    4.01695e+05   -2.34134e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65681e+04   -2.44539e+06    4.79686e+05   -1.96570e+06    2.31216e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10989e+02   -2.07769e+02    7.56488e+01    5.46229e-06


DD  step 218594999 load imb.: force 17.1%  pme mesh/force 0.759
           Step           Time
      218595000   437190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06957e+03    1.94043e+04    1.28972e+04    1.23262e+03   -3.11997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92204e+03    9.27607e+04    3.97553e+05   -2.33668e+04   -2.97239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66876e+04   -2.44535e+06    4.79598e+05   -1.96575e+06    2.31221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10932e+02   -2.06943e+02   -7.65725e+01    5.54355e-06


DD  step 218599999 load imb.: force 18.2%  pme mesh/force 0.770
           Step           Time
      218600000   437200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92672e+03    1.94115e+04    1.30432e+04    1.22467e+03   -3.07691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93625e+03    9.32663e+04    4.01272e+05   -2.34220e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64798e+04   -2.44784e+06    4.79492e+05   -1.96834e+06    2.31227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10863e+02   -2.07921e+02    6.19506e+01    5.29843e-06


DD  step 218604999 load imb.: force 17.4%  pme mesh/force 0.767
           Step           Time
      218605000   437210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00246e+03    1.96699e+04    1.29539e+04    1.12475e+03   -3.06718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76114e+03    9.33172e+04    4.00180e+05   -2.33607e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64895e+04   -2.44717e+06    4.79200e+05   -1.96797e+06    2.31234e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10674e+02   -2.06835e+02   -9.72004e+01    5.39639e-06


DD  step 218609999 load imb.: force 18.5%  pme mesh/force 0.754
           Step           Time
      218610000   437220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86365e+03    1.98102e+04    1.31876e+04    1.24023e+03   -3.14186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76644e+03    9.26692e+04    3.99344e+05   -2.34109e+04   -2.97737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65443e+04   -2.44850e+06    4.79817e+05   -1.96868e+06    2.31239e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11074e+02   -2.07724e+02   -1.81992e+00    5.26836e-06


DD  step 218614999 load imb.: force 18.4%  pme mesh/force 0.778
           Step           Time
      218615000   437230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99463e+03    1.94699e+04    1.29056e+04    1.17928e+03   -3.10984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87198e+03    9.26522e+04    3.98235e+05   -2.33589e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64903e+04   -2.44767e+06    4.78779e+05   -1.96889e+06    2.31245e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10401e+02   -2.06804e+02   -1.01540e+02    5.48985e-06


DD  step 218619999 load imb.: force 19.2%  pme mesh/force 0.750
           Step           Time
      218620000   437240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07167e+03    1.95009e+04    1.30679e+04    1.15940e+03   -3.15048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79322e+03    9.34295e+04    4.01555e+05   -2.34267e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64428e+04   -2.44700e+06    4.80489e+05   -1.96651e+06    2.31250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11509e+02   -2.08003e+02    3.86618e+01    5.48422e-06


DD  step 218624999 load imb.: force 17.3%  pme mesh/force 0.756
           Step           Time
      218625000   437250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86210e+03    1.97809e+04    1.30136e+04    1.16044e+03   -2.97084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77761e+03    9.29200e+04    3.98842e+05   -2.33669e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65095e+04   -2.44693e+06    4.78968e+05   -1.96797e+06    2.31257e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.06944e+02   -6.10918e+01    5.31703e-06


DD  step 218629999 load imb.: force 19.0%  pme mesh/force 0.754
           Step           Time
      218630000   437260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14244e+03    1.94857e+04    1.29260e+04    1.20503e+03   -3.11847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71140e+03    9.32516e+04    3.99856e+05   -2.33908e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62950e+04   -2.44575e+06    4.79454e+05   -1.96629e+06    2.31262e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.07367e+02    4.38548e+00    5.49556e-06


DD  step 218634999 load imb.: force 16.9%  pme mesh/force 0.726
           Step           Time
      218635000   437270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74472e+03    1.94288e+04    1.30717e+04    1.17769e+03   -3.10574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86443e+03    9.29614e+04    3.99149e+05   -2.34247e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65010e+04   -2.44782e+06    4.79479e+05   -1.96834e+06    2.31268e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10855e+02   -2.07969e+02    4.03945e+01    5.51106e-06


DD  step 218639999 load imb.: force 20.0%  pme mesh/force 0.791
           Step           Time
      218640000   437280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05089e+03    1.95373e+04    1.30549e+04    1.29200e+03   -3.05299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83258e+03    9.33246e+04    4.02971e+05   -2.34128e+04   -2.98184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67360e+04   -2.44851e+06    4.78078e+05   -1.97043e+06    2.31274e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09946e+02   -2.07758e+02    5.02509e+01    5.53457e-06


DD  step 218644999 load imb.: force 18.7%  pme mesh/force 0.760
           Step           Time
      218645000   437290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79690e+03    2.00022e+04    1.29286e+04    1.20445e+03   -3.08383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80151e+03    9.30764e+04    3.98056e+05   -2.34013e+04   -2.97476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66209e+04   -2.44676e+06    4.81136e+05   -1.96563e+06    2.31279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11929e+02   -2.07554e+02   -3.53672e+01    5.44360e-06


DD  step 218649999 load imb.: force 18.6%  pme mesh/force 0.746
           Step           Time
      218650000   437300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89386e+03    1.94801e+04    1.30919e+04    1.19058e+03   -3.06199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85779e+03    9.28344e+04    4.00980e+05   -2.33449e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65368e+04   -2.44666e+06    4.81761e+05   -1.96490e+06    2.31285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12334e+02   -2.06557e+02   -1.42905e+01    5.47081e-06


DD  step 218654999 load imb.: force 17.6%  pme mesh/force 0.761
           Step           Time
      218655000   437310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14124e+03    1.93652e+04    1.29984e+04    1.23069e+03   -3.20200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86403e+03    9.25137e+04    4.04333e+05   -2.33973e+04   -2.98116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66114e+04   -2.44770e+06    4.78580e+05   -1.96912e+06    2.31291e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10272e+02   -2.07483e+02    1.28188e+02    5.36439e-06


DD  step 218659999 load imb.: force 17.2%  pme mesh/force 0.776
           Step           Time
      218660000   437320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96196e+03    1.90114e+04    1.30793e+04    1.20016e+03   -3.14802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89543e+03    9.28728e+04    4.00314e+05   -2.34198e+04   -2.97745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64852e+04   -2.44820e+06    4.78047e+05   -1.97015e+06    2.31297e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09926e+02   -2.07881e+02    1.09241e+01    5.51353e-06


DD  step 218664999 load imb.: force 17.2%  pme mesh/force 0.754
           Step           Time
      218665000   437330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86778e+03    1.98254e+04    1.32995e+04    1.25565e+03   -3.10379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79648e+03    9.32019e+04    3.99591e+05   -2.33669e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65244e+04   -2.44525e+06    4.80887e+05   -1.96436e+06    2.31303e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11768e+02   -2.06944e+02   -1.00201e+01    5.25976e-06


DD  step 218669999 load imb.: force 17.2%  pme mesh/force 0.746
           Step           Time
      218670000   437340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83490e+03    1.96841e+04    1.30254e+04    1.18447e+03   -3.06676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86301e+03    9.29368e+04    4.00981e+05   -2.34009e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65190e+04   -2.44609e+06    4.81614e+05   -1.96447e+06    2.31308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12239e+02   -2.07546e+02    6.88957e+01    5.42728e-06


DD  step 218674999 load imb.: force 17.7%  pme mesh/force 0.749
           Step           Time
      218675000   437350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98571e+03    1.95328e+04    1.30087e+04    1.22219e+03   -3.09254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82629e+03    9.27739e+04    4.01255e+05   -2.34118e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64698e+04   -2.44941e+06    4.78129e+05   -1.97129e+06    2.31314e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09980e+02   -2.07740e+02   -1.41930e+00    5.50677e-06


DD  step 218679999 load imb.: force 17.4%  pme mesh/force 0.779
           Step           Time
      218680000   437360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13252e+03    1.91832e+04    1.29479e+04    1.19238e+03   -3.14069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86857e+03    9.22301e+04    4.03406e+05   -2.33821e+04   -2.98218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65807e+04   -2.45016e+06    4.77579e+05   -1.97258e+06    2.31320e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09623e+02   -2.07215e+02    5.02091e+01    5.53828e-06


DD  step 218684999 load imb.: force 18.3%  pme mesh/force 0.794
           Step           Time
      218685000   437370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94370e+03    1.93869e+04    1.31187e+04    1.19943e+03   -3.13856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87128e+03    9.32048e+04    3.98280e+05   -2.34143e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64496e+04   -2.44920e+06    4.80033e+05   -1.96917e+06    2.31326e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11214e+02   -2.07785e+02   -5.31381e+01    5.39713e-06


DD  step 218689999 load imb.: force 18.1%  pme mesh/force 0.791
           Step           Time
      218690000   437380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96677e+03    1.92339e+04    1.30945e+04    1.09687e+03   -3.05699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78574e+03    9.25353e+04    4.02552e+05   -2.33806e+04   -2.98319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63680e+04   -2.45200e+06    4.77490e+05   -1.97451e+06    2.31332e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09565e+02   -2.07188e+02   -1.13610e+01    5.42053e-06


DD  step 218694999 load imb.: force 18.0%  pme mesh/force 0.757
           Step           Time
      218695000   437390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94853e+03    1.97025e+04    1.31016e+04    1.27127e+03   -3.21605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89302e+03    9.28648e+04    3.97767e+05   -2.33612e+04   -2.97378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65960e+04   -2.44622e+06    4.80176e+05   -1.96604e+06    2.31338e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11306e+02   -2.06844e+02   -6.40097e+01    5.45653e-06


DD  step 218699999 load imb.: force 17.3%  pme mesh/force 0.796
           Step           Time
      218700000   437400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19368e+03    1.93893e+04    1.29137e+04    1.10351e+03   -3.12876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82954e+03    9.27701e+04    3.98132e+05   -2.34034e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66137e+04   -2.44795e+06    4.79684e+05   -1.96827e+06    2.31343e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.07592e+02   -2.87715e+01    5.42372e-06


DD  step 218704999 load imb.: force 16.9%  pme mesh/force 0.741
           Step           Time
      218705000   437410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17838e+03    1.95123e+04    1.30131e+04    1.28507e+03   -3.10380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78331e+03    9.29539e+04    3.98329e+05   -2.33296e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66029e+04   -2.44725e+06    4.79150e+05   -1.96810e+06    2.31350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10642e+02   -2.06286e+02   -1.20800e+02    5.47903e-06


DD  step 218709999 load imb.: force 17.0%  pme mesh/force 0.756
           Step           Time
      218710000   437420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15293e+03    1.93636e+04    1.31549e+04    1.21374e+03   -3.13707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81000e+03    9.30873e+04    4.01543e+05   -2.33889e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65861e+04   -2.44474e+06    4.78179e+05   -1.96656e+06    2.31355e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10012e+02   -2.07334e+02    2.24308e+01    5.35169e-06


DD  step 218714999 load imb.: force 18.0%  pme mesh/force 0.770
           Step           Time
      218715000   437430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01597e+03    2.01081e+04    1.31268e+04    1.13636e+03   -3.11308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83060e+03    9.25121e+04    4.02326e+05   -2.33676e+04   -2.97512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65094e+04   -2.44304e+06    4.79162e+05   -1.96388e+06    2.31362e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10649e+02   -2.06958e+02    8.49299e+01    5.54655e-06


DD  step 218719999 load imb.: force 19.7%  pme mesh/force 0.769
           Step           Time
      218720000   437440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94000e+03    1.95509e+04    1.30417e+04    1.15977e+03   -3.03562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84717e+03    9.28303e+04    4.02042e+05   -2.33988e+04   -2.97900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64913e+04   -2.44753e+06    4.80877e+05   -1.96666e+06    2.31367e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11761e+02   -2.07511e+02    6.86265e+01    5.53130e-06


DD  step 218724999 load imb.: force 17.5%  pme mesh/force 0.798
           Step           Time
      218725000   437450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93511e+03    1.94616e+04    1.30274e+04    1.16801e+03   -3.11054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89512e+03    9.32222e+04    3.98754e+05   -2.34002e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67222e+04   -2.44689e+06    4.78908e+05   -1.96799e+06    2.31372e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10485e+02   -2.07534e+02   -2.63474e+01    5.56120e-06


DD  step 218729999 load imb.: force 18.1%  pme mesh/force 0.752
           Step           Time
      218730000   437460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90224e+03    1.93302e+04    1.30788e+04    1.14122e+03   -3.06593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84094e+03    9.29826e+04    4.01729e+05   -2.34297e+04   -2.98049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64833e+04   -2.44949e+06    4.78967e+05   -1.97053e+06    2.31378e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.08058e+02    5.96490e+01    5.42319e-06


DD  step 218734999 load imb.: force 18.4%  pme mesh/force 0.776
           Step           Time
      218735000   437470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00571e+03    1.99146e+04    1.30863e+04    1.20633e+03   -3.12067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76898e+03    9.31969e+04    3.99964e+05   -2.33933e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65782e+04   -2.44680e+06    4.79734e+05   -1.96706e+06    2.31385e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.07413e+02   -3.74790e+01    5.44532e-06


DD  step 218739999 load imb.: force 16.6%  pme mesh/force 0.713
           Step           Time
      218740000   437480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00011e+03    1.91467e+04    1.30868e+04    1.26346e+03   -3.11041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83574e+03    9.33913e+04    4.00811e+05   -2.33701e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64169e+04   -2.45012e+06    4.78301e+05   -1.97182e+06    2.31390e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.07002e+02   -1.87142e+01    5.48725e-06


DD  step 218744999 load imb.: force 17.1%  pme mesh/force 0.745
           Step           Time
      218745000   437490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04685e+03    1.92597e+04    1.31306e+04    1.28738e+03   -3.03930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87339e+03    9.32100e+04    4.01951e+05   -2.33902e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66280e+04   -2.44746e+06    4.80712e+05   -1.96675e+06    2.31396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11654e+02   -2.07358e+02    5.59975e+01    5.59272e-06


DD  step 218749999 load imb.: force 17.0%  pme mesh/force 0.742
           Step           Time
      218750000   437500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95779e+03    1.94679e+04    1.30552e+04    1.20881e+03   -3.18718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67906e+03    9.31098e+04    4.01378e+05   -2.33815e+04   -2.98016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64172e+04   -2.44945e+06    4.79720e+05   -1.96973e+06    2.31402e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.07203e+02   -1.69819e+01    5.52133e-06


DD  step 218754999 load imb.: force 17.2%  pme mesh/force 0.720
           Step           Time
      218755000   437510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98355e+03    1.92221e+04    1.30656e+04    1.11205e+03   -3.18768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83221e+03    9.31422e+04    4.03870e+05   -2.33969e+04   -2.98502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65270e+04   -2.45185e+06    4.78289e+05   -1.97356e+06    2.31408e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10084e+02   -2.07476e+02    5.78798e+01    5.48254e-06


DD  step 218759999 load imb.: force 18.0%  pme mesh/force 0.761
           Step           Time
      218760000   437520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25959e+03    1.93177e+04    1.32029e+04    1.21166e+03   -3.09904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85653e+03    9.31396e+04    3.99853e+05   -2.33762e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66134e+04   -2.44539e+06    4.79483e+05   -1.96590e+06    2.31414e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.07109e+02   -1.85191e+01    5.57674e-06


DD  step 218764999 load imb.: force 18.8%  pme mesh/force 0.762
           Step           Time
      218765000   437530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99717e+03    1.93742e+04    1.31713e+04    1.18490e+03   -3.06480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83947e+03    9.32864e+04    4.01007e+05   -2.33820e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63738e+04   -2.44727e+06    4.79094e+05   -1.96818e+06    2.31419e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10605e+02   -2.07212e+02   -3.92912e+00    5.64503e-06


DD  step 218769999 load imb.: force 19.7%  pme mesh/force 0.749
           Step           Time
      218770000   437540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86608e+03    1.95153e+04    1.32419e+04    1.15816e+03   -3.11686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79645e+03    9.32426e+04    4.00799e+05   -2.33694e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65215e+04   -2.45017e+06    4.80009e+05   -1.97016e+06    2.31425e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11198e+02   -2.06989e+02   -5.00236e+01    5.31252e-06


DD  step 218774999 load imb.: force 18.5%  pme mesh/force 0.783
           Step           Time
      218775000   437550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81520e+03    1.93770e+04    1.28781e+04    1.13566e+03   -3.15833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90804e+03    9.33758e+04    4.03579e+05   -2.34025e+04   -2.98363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64067e+04   -2.45072e+06    4.78558e+05   -1.97216e+06    2.31431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10258e+02   -2.07575e+02    9.97838e+01    5.65233e-06


DD  step 218779999 load imb.: force 17.5%  pme mesh/force 0.765
           Step           Time
      218780000   437560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02813e+03    1.97745e+04    1.30892e+04    1.24229e+03   -3.05919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85299e+03    9.24419e+04    3.98530e+05   -2.33889e+04   -2.97177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65128e+04   -2.44375e+06    4.79330e+05   -1.96442e+06    2.31437e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.07334e+02    8.55394e+00    5.56563e-06


DD  step 218784999 load imb.: force 16.3%  pme mesh/force 0.717
           Step           Time
      218785000   437570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11213e+03    1.95614e+04    1.29928e+04    1.16045e+03   -3.04007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95308e+03    9.28269e+04    4.02116e+05   -2.34199e+04   -2.98283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63690e+04   -2.45120e+06    4.79202e+05   -1.97200e+06    2.31443e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10675e+02   -2.07883e+02    2.47703e+01    5.61068e-06


DD  step 218789999 load imb.: force 18.1%  pme mesh/force 0.746
           Step           Time
      218790000   437580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02432e+03    1.95407e+04    1.32175e+04    1.15160e+03   -3.07834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92626e+03    9.28446e+04    3.99546e+05   -2.33513e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66037e+04   -2.44681e+06    4.78896e+05   -1.96791e+06    2.31449e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10477e+02   -2.06669e+02    3.00391e+01    5.59305e-06


DD  step 218794999 load imb.: force 17.1%  pme mesh/force 0.743
           Step           Time
      218795000   437590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01517e+03    1.97164e+04    1.31239e+04    1.11256e+03   -3.07072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80043e+03    9.31407e+04    3.97989e+05   -2.33636e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65081e+04   -2.44681e+06    4.78575e+05   -1.96823e+06    2.31454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10268e+02   -2.06887e+02   -8.35122e+01    5.53569e-06


DD  step 218799999 load imb.: force 18.1%  pme mesh/force 0.776
           Step           Time
      218800000   437600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27192e+03    1.97075e+04    1.28487e+04    1.14382e+03   -3.11992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79620e+03    9.26024e+04    4.01250e+05   -2.34264e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64181e+04   -2.44837e+06    4.79612e+05   -1.96876e+06    2.31460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.07999e+02    1.78751e+01    5.53276e-06


DD  step 218804999 load imb.: force 21.2%  pme mesh/force 0.768
           Step           Time
      218805000   437610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08641e+03    1.93476e+04    1.28924e+04    1.12639e+03   -3.03260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68258e+03    9.29399e+04    3.99981e+05   -2.33921e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62392e+04   -2.44984e+06    4.78286e+05   -1.97155e+06    2.31466e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10081e+02   -2.07391e+02   -7.37367e+01    5.54281e-06

Writing checkpoint, step 218809550 at Tue Nov  7 18:31:28 2023



DD  step 218809999 load imb.: force 17.4%  pme mesh/force 0.767
           Step           Time
      218810000   437620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12091e+03    1.94625e+04    1.30663e+04    1.14656e+03   -3.12048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88900e+03    9.30619e+04    4.00949e+05   -2.33712e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68566e+04   -2.44515e+06    4.81338e+05   -1.96381e+06    2.31472e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12060e+02   -2.07022e+02    7.09380e+01    5.58915e-06


DD  step 218814999 load imb.: force 18.8%  pme mesh/force 0.773
           Step           Time
      218815000   437630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92221e+03    1.95257e+04    1.29840e+04    1.21267e+03   -3.14066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77774e+03    9.29963e+04    4.00170e+05   -2.33648e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62834e+04   -2.44833e+06    4.79931e+05   -1.96840e+06    2.31477e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11148e+02   -2.06908e+02   -1.01453e+00    5.72322e-06


DD  step 218819999 load imb.: force 17.5%  pme mesh/force 0.759
           Step           Time
      218820000   437640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88759e+03    1.94249e+04    1.31600e+04    1.27337e+03   -3.07541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89994e+03    9.29620e+04    3.99242e+05   -2.33924e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63956e+04   -2.44869e+06    4.80422e+05   -1.96827e+06    2.31483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.07396e+02   -2.92130e+01    5.71946e-06


DD  step 218824999 load imb.: force 17.5%  pme mesh/force 0.730
           Step           Time
      218825000   437650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06437e+03    1.97792e+04    1.28844e+04    1.18549e+03   -3.16334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84606e+03    9.30321e+04    4.02232e+05   -2.33992e+04   -2.97964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64472e+04   -2.44773e+06    4.82485e+05   -1.96524e+06    2.31489e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12803e+02   -2.07516e+02    8.67564e+00    5.59607e-06


DD  step 218829999 load imb.: force 18.8%  pme mesh/force 0.793
           Step           Time
      218830000   437660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21021e+03    1.97365e+04    1.29758e+04    1.13837e+03   -3.14873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77063e+03    9.24975e+04    4.00961e+05   -2.33639e+04   -2.97693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66414e+04   -2.44652e+06    4.81412e+05   -1.96510e+06    2.31494e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12108e+02   -2.06891e+02   -2.67381e+01    5.67020e-06


DD  step 218834999 load imb.: force 16.9%  pme mesh/force 0.756
           Step           Time
      218835000   437670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14165e+03    1.97237e+04    1.30490e+04    1.17661e+03   -3.09148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96375e+03    9.27834e+04    3.96123e+05   -2.33210e+04   -2.96872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67486e+04   -2.44242e+06    4.79610e+05   -1.96281e+06    2.31500e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10939e+02   -2.06134e+02   -1.28018e+02    5.63034e-06


DD  step 218839999 load imb.: force 18.1%  pme mesh/force 0.775
           Step           Time
      218840000   437680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93746e+03    1.96153e+04    1.31265e+04    1.30705e+03   -3.13056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80429e+03    9.24880e+04    4.00682e+05   -2.34297e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64222e+04   -2.44800e+06    4.79434e+05   -1.96856e+06    2.31506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10826e+02   -2.08058e+02    2.51051e+01    5.60716e-06


DD  step 218844999 load imb.: force 19.1%  pme mesh/force 0.773
           Step           Time
      218845000   437690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12661e+03    1.94128e+04    1.29767e+04    1.15821e+03   -3.04030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84255e+03    9.28182e+04    4.01854e+05   -2.33974e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66781e+04   -2.44574e+06    4.80420e+05   -1.96532e+06    2.31512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11465e+02   -2.07485e+02    4.28040e+01    5.65147e-06


DD  step 218849999 load imb.: force 19.5%  pme mesh/force 0.809
           Step           Time
      218850000   437700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88331e+03    1.94496e+04    1.29691e+04    1.11187e+03   -3.09922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79847e+03    9.31098e+04    3.99264e+05   -2.33629e+04   -2.97846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64651e+04   -2.44987e+06    4.80467e+05   -1.96940e+06    2.31518e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11496e+02   -2.06875e+02   -3.51424e+01    5.83832e-06


DD  step 218854999 load imb.: force 17.4%  pme mesh/force 0.780
           Step           Time
      218855000   437710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.40703e+03    1.92992e+04    1.31129e+04    1.13676e+03   -3.12427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88724e+03    9.29344e+04    3.96640e+05   -2.34002e+04   -2.97260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63398e+04   -2.44637e+06    4.80761e+05   -1.96561e+06    2.31523e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11686e+02   -2.07534e+02   -5.53471e+01    5.78953e-06


DD  step 218859999 load imb.: force 18.5%  pme mesh/force 0.800
           Step           Time
      218860000   437720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11184e+03    1.93685e+04    1.30451e+04    1.17714e+03   -2.99488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81598e+03    9.31576e+04    3.99623e+05   -2.33472e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63197e+04   -2.44723e+06    4.77544e+05   -1.96969e+06    2.31530e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09600e+02   -2.06597e+02   -6.93902e+01    5.59096e-06


DD  step 218864999 load imb.: force 18.3%  pme mesh/force 0.781
           Step           Time
      218865000   437730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95626e+03    1.94482e+04    1.30544e+04    1.18782e+03   -3.05152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85724e+03    9.33312e+04    4.01916e+05   -2.33128e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65837e+04   -2.44412e+06    4.80560e+05   -1.96356e+06    2.31535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11556e+02   -2.05988e+02    6.43058e+01    5.73102e-06


DD  step 218869999 load imb.: force 19.6%  pme mesh/force 0.760
           Step           Time
      218870000   437740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94987e+03    1.93959e+04    1.29417e+04    1.22704e+03   -3.09627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73072e+03    9.30397e+04    3.99592e+05   -2.33423e+04   -2.97630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63844e+04   -2.44748e+06    4.79923e+05   -1.96755e+06    2.31541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11143e+02   -2.06509e+02   -8.72805e+01    5.59549e-06


DD  step 218874999 load imb.: force 20.5%  pme mesh/force 0.788
           Step           Time
      218875000   437750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02737e+03    1.95202e+04    1.31872e+04    1.21851e+03   -3.00638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77592e+03    9.27219e+04    4.00110e+05   -2.33706e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66538e+04   -2.44764e+06    4.78293e+05   -1.96935e+06    2.31547e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10086e+02   -2.07011e+02   -5.12402e+01    5.67732e-06


DD  step 218879999 load imb.: force 20.2%  pme mesh/force 0.823
           Step           Time
      218880000   437760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06735e+03    1.97436e+04    1.29739e+04    1.21645e+03   -3.17745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68294e+03    9.26203e+04    3.97655e+05   -2.33356e+04   -2.97156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64328e+04   -2.44468e+06    4.78909e+05   -1.96577e+06    2.31552e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10485e+02   -2.06392e+02   -1.19538e+02    5.70518e-06


DD  step 218884999 load imb.: force 19.2%  pme mesh/force 0.791
           Step           Time
      218885000   437770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31712e+03    1.98626e+04    1.30337e+04    1.20293e+03   -3.08828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79198e+03    9.24264e+04    3.99530e+05   -2.33749e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66544e+04   -2.44575e+06    4.81607e+05   -1.96414e+06    2.31558e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12234e+02   -2.07087e+02   -2.19066e+01    5.61889e-06


DD  step 218889999 load imb.: force 17.4%  pme mesh/force 0.772
           Step           Time
      218890000   437780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02809e+03    1.97185e+04    1.30931e+04    1.20760e+03   -3.19554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95760e+03    9.30914e+04    3.99758e+05   -2.33718e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65416e+04   -2.44572e+06    4.79779e+05   -1.96594e+06    2.31564e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.07031e+02    8.59386e+01    5.59825e-06


DD  step 218894999 load imb.: force 19.2%  pme mesh/force 0.796
           Step           Time
      218895000   437790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35495e+03    1.94826e+04    1.31244e+04    1.20594e+03   -3.02222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75343e+03    9.28143e+04    4.00408e+05   -2.33383e+04   -2.97352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65271e+04   -2.44321e+06    4.80004e+05   -1.96320e+06    2.31570e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11195e+02   -2.06439e+02   -8.88792e+00    5.69072e-06


DD  step 218899999 load imb.: force 18.6%  pme mesh/force 0.776
           Step           Time
      218900000   437800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90113e+03    1.93868e+04    1.29807e+04    1.08909e+03   -2.95568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87832e+03    9.32561e+04    4.03440e+05   -2.34026e+04   -2.98204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63697e+04   -2.44910e+06    4.79750e+05   -1.96935e+06    2.31576e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.07577e+02    1.04425e+02    5.68032e-06


DD  step 218904999 load imb.: force 18.7%  pme mesh/force 0.766
           Step           Time
      218905000   437810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84350e+03    1.92257e+04    1.31172e+04    1.23020e+03   -3.14521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85477e+03    9.28764e+04    4.02567e+05   -2.34377e+04   -2.98228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64965e+04   -2.45065e+06    4.78709e+05   -1.97195e+06    2.31581e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10355e+02   -2.08199e+02    6.96055e+01    5.50596e-06


DD  step 218909999 load imb.: force 19.0%  pme mesh/force 0.765
           Step           Time
      218910000   437820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12487e+03    1.93009e+04    1.30678e+04    1.20862e+03   -3.06355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81706e+03    9.27345e+04    3.99982e+05   -2.33504e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67838e+04   -2.44856e+06    4.81051e+05   -1.96750e+06    2.31587e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11874e+02   -2.06654e+02   -5.85744e+00    5.69012e-06


DD  step 218914999 load imb.: force 20.5%  pme mesh/force 0.815
           Step           Time
      218915000   437830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01616e+03    1.93207e+04    1.32072e+04    1.21121e+03   -3.07876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87503e+03    9.28298e+04    3.97714e+05   -2.33295e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64741e+04   -2.44645e+06    4.80646e+05   -1.96580e+06    2.31593e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11612e+02   -2.06283e+02   -1.00186e+02    5.68940e-06


DD  step 218919999 load imb.: force 19.4%  pme mesh/force 0.769
           Step           Time
      218920000   437840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88589e+03    1.95660e+04    1.29726e+04    1.18832e+03   -3.14989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87339e+03    9.24662e+04    3.99777e+05   -2.33815e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67714e+04   -2.44574e+06    4.77275e+05   -1.96847e+06    2.31599e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09426e+02   -2.07204e+02    1.20694e+01    5.68172e-06


DD  step 218924999 load imb.: force 20.0%  pme mesh/force 0.790
           Step           Time
      218925000   437850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00992e+03    1.94009e+04    1.30284e+04    1.20381e+03   -3.13485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89260e+03    9.32360e+04    3.99520e+05   -2.34215e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63938e+04   -2.44682e+06    4.79188e+05   -1.96763e+06    2.31605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10666e+02   -2.07912e+02    2.00136e+01    5.74517e-06


DD  step 218929999 load imb.: force 20.0%  pme mesh/force 0.776
           Step           Time
      218930000   437860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94618e+03    1.96728e+04    1.32343e+04    1.20691e+03   -3.11422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88501e+03    9.28554e+04    4.01296e+05   -2.33877e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64329e+04   -2.44555e+06    4.80887e+05   -1.96467e+06    2.31611e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.07312e+02    8.02388e+01    5.60826e-06


DD  step 218934999 load imb.: force 21.2%  pme mesh/force 0.803
           Step           Time
      218935000   437870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13707e+03    1.93739e+04    1.30854e+04    1.27902e+03   -3.11134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95932e+03    9.30970e+04    3.99642e+05   -2.33591e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63208e+04   -2.44673e+06    4.81099e+05   -1.96563e+06    2.31617e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11905e+02   -2.06807e+02    8.60226e+00    5.72170e-06


DD  step 218939999 load imb.: force 18.8%  pme mesh/force 0.797
           Step           Time
      218940000   437880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01172e+03    1.96339e+04    1.30802e+04    1.25201e+03   -3.04402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01679e+03    9.22007e+04    4.02829e+05   -2.33994e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65885e+04   -2.44513e+06    4.80829e+05   -1.96430e+06    2.31623e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11730e+02   -2.07520e+02    1.43235e+02    5.72681e-06


DD  step 218944999 load imb.: force 19.0%  pme mesh/force 0.789
           Step           Time
      218945000   437890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20173e+03    1.94446e+04    1.30738e+04    1.14598e+03   -3.16119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90920e+03    9.24979e+04    3.99730e+05   -2.34038e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65538e+04   -2.44503e+06    4.79261e+05   -1.96576e+06    2.31629e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.07599e+02    7.26320e+00    5.66272e-06


DD  step 218949999 load imb.: force 19.6%  pme mesh/force 0.792
           Step           Time
      218950000   437900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03890e+03    1.95839e+04    1.30815e+04    1.17618e+03   -2.98840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93739e+03    9.27588e+04    4.00819e+05   -2.33723e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63334e+04   -2.44661e+06    4.78017e+05   -1.96860e+06    2.31635e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09907e+02   -2.07041e+02    3.69836e+00    5.63520e-06


DD  step 218954999 load imb.: force 18.0%  pme mesh/force 0.766
           Step           Time
      218955000   437910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05867e+03    1.96253e+04    1.32066e+04    1.20096e+03   -3.14078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87949e+03    9.25753e+04    4.00075e+05   -2.34061e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66362e+04   -2.44864e+06    4.81579e+05   -1.96706e+06    2.31641e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12216e+02   -2.07639e+02   -2.27686e+01    5.56417e-06


DD  step 218959999 load imb.: force 18.2%  pme mesh/force 0.785
           Step           Time
      218960000   437920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83633e+03    1.96355e+04    1.29960e+04    1.21760e+03   -3.15455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93285e+03    9.32369e+04    4.00175e+05   -2.33780e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65415e+04   -2.44553e+06    4.80248e+05   -1.96528e+06    2.31646e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11354e+02   -2.07142e+02    2.12681e+01    5.57277e-06


DD  step 218964999 load imb.: force 18.8%  pme mesh/force 0.751
           Step           Time
      218965000   437930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03759e+03    1.97720e+04    1.30852e+04    1.12659e+03   -3.07106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84996e+03    9.29825e+04    4.00130e+05   -2.33825e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62536e+04   -2.44709e+06    4.80539e+05   -1.96655e+06    2.31652e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.07222e+02    1.00769e+02    5.55417e-06


DD  step 218969999 load imb.: force 18.7%  pme mesh/force 0.762
           Step           Time
      218970000   437940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12198e+03    1.91818e+04    1.30606e+04    1.21333e+03   -3.01445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79192e+03    9.36910e+04    4.03990e+05   -2.33964e+04   -2.98023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65054e+04   -2.44609e+06    4.79246e+05   -1.96684e+06    2.31657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.07467e+02    1.30217e+02    5.63401e-06


DD  step 218974999 load imb.: force 18.3%  pme mesh/force 0.753
           Step           Time
      218975000   437950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78714e+03    1.93384e+04    1.28405e+04    1.20220e+03   -3.12112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85860e+03    9.31785e+04    3.99975e+05   -2.34020e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63834e+04   -2.45025e+06    4.78845e+05   -1.97141e+06    2.31664e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10444e+02   -2.07566e+02    1.30350e+01    5.61915e-06


DD  step 218979999 load imb.: force 18.0%  pme mesh/force 0.749
           Step           Time
      218980000   437960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04109e+03    1.94013e+04    1.28299e+04    1.12471e+03   -3.11159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83546e+03    9.30967e+04    3.97459e+05   -2.33580e+04   -2.97367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63315e+04   -2.44702e+06    4.79956e+05   -1.96706e+06    2.31670e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11164e+02   -2.06787e+02   -1.06834e+02    5.67168e-06


DD  step 218984999 load imb.: force 16.5%  pme mesh/force 0.705
           Step           Time
      218985000   437970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19326e+03    1.94554e+04    1.29592e+04    1.18323e+03   -3.08158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81597e+03    9.30526e+04    3.99983e+05   -2.33652e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64672e+04   -2.44568e+06    4.79389e+05   -1.96629e+06    2.31675e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10796e+02   -2.06915e+02   -3.99962e+01    5.51687e-06


DD  step 218989999 load imb.: force 16.2%  pme mesh/force 0.744
           Step           Time
      218990000   437980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03926e+03    1.92392e+04    1.31552e+04    1.19113e+03   -3.16849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85634e+03    9.27222e+04    3.98673e+05   -2.34215e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65026e+04   -2.44896e+06    4.78850e+05   -1.97011e+06    2.31682e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10447e+02   -2.07911e+02   -4.16994e+01    5.52631e-06


DD  step 218994999 load imb.: force 16.1%  pme mesh/force 0.713
           Step           Time
      218995000   437990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80843e+03    1.97781e+04    1.33503e+04    1.24155e+03   -3.13112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86823e+03    9.28859e+04    4.00956e+05   -2.34090e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65938e+04   -2.44324e+06    4.79851e+05   -1.96339e+06    2.31687e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11096e+02   -2.07690e+02    1.04490e+02    5.70376e-06


DD  step 218999999 load imb.: force 19.2%  pme mesh/force 0.790
           Step           Time
      219000000   438000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88580e+03    1.94836e+04    1.29973e+04    1.25402e+03   -2.98962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82351e+03    9.33475e+04    4.01890e+05   -2.33540e+04   -2.98048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63922e+04   -2.44875e+06    4.80325e+05   -1.96842e+06    2.31693e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11403e+02   -2.06716e+02    2.33686e+01    5.54295e-06


DD  step 219004999 load imb.: force 17.7%  pme mesh/force 0.746
           Step           Time
      219005000   438010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23823e+03    1.95348e+04    1.30911e+04    1.17448e+03   -3.00571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88752e+03    9.36113e+04    3.99683e+05   -2.33536e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65741e+04   -2.44538e+06    4.81216e+05   -1.96416e+06    2.31699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11981e+02   -2.06710e+02   -3.55088e+01    5.62750e-06


DD  step 219009999 load imb.: force 19.7%  pme mesh/force 0.776
           Step           Time
      219010000   438020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01335e+03    1.92052e+04    1.29253e+04    1.26298e+03   -2.97401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74935e+03    9.32067e+04    4.02016e+05   -2.33368e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64731e+04   -2.44594e+06    4.78340e+05   -1.96760e+06    2.31704e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10117e+02   -2.06412e+02    1.51748e+01    5.66252e-06


DD  step 219014999 load imb.: force 19.1%  pme mesh/force 0.780
           Step           Time
      219015000   438030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07967e+03    1.91810e+04    1.31862e+04    1.19175e+03   -3.07551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90152e+03    9.34646e+04    4.00113e+05   -2.33799e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64696e+04   -2.44632e+06    4.81038e+05   -1.96528e+06    2.31710e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11866e+02   -2.07176e+02    3.99539e+01    5.66355e-06


DD  step 219019999 load imb.: force 20.4%  pme mesh/force 0.768
           Step           Time
      219020000   438040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26577e+03    1.92315e+04    1.32440e+04    1.32320e+03   -3.07136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84320e+03    9.34198e+04    3.99415e+05   -2.34221e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63944e+04   -2.44843e+06    4.79734e+05   -1.96869e+06    2.31717e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.07922e+02   -1.36327e+01    5.70381e-06


DD  step 219024999 load imb.: force 19.6%  pme mesh/force 0.758
           Step           Time
      219025000   438050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19053e+03    1.88870e+04    1.29880e+04    1.17753e+03   -3.00941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85625e+03    9.32195e+04    3.97720e+05   -2.33920e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63515e+04   -2.44816e+06    4.78652e+05   -1.96951e+06    2.31722e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10319e+02   -2.07389e+02   -9.28382e+01    5.72354e-06


DD  step 219029999 load imb.: force 19.2%  pme mesh/force 0.757
           Step           Time
      219030000   438060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94516e+03    1.98660e+04    1.28301e+04    1.18128e+03   -3.09743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80733e+03    9.28379e+04    3.99911e+05   -2.34366e+04   -2.97383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68385e+04   -2.44414e+06    4.79320e+05   -1.96482e+06    2.31728e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10752e+02   -2.08180e+02    4.65452e+01    5.78869e-06


DD  step 219034999 load imb.: force 19.1%  pme mesh/force 0.769
           Step           Time
      219035000   438070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94083e+03    1.92800e+04    1.30223e+04    1.19053e+03   -3.04970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01133e+03    9.28152e+04    3.95820e+05   -2.33281e+04   -2.97174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65297e+04   -2.44651e+06    4.80187e+05   -1.96633e+06    2.31733e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.06258e+02   -1.35329e+02    5.74715e-06


DD  step 219039999 load imb.: force 17.9%  pme mesh/force 0.719
           Step           Time
      219040000   438080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05627e+03    1.98831e+04    1.31236e+04    1.21340e+03   -3.06643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83208e+03    9.29044e+04    3.99708e+05   -2.34189e+04   -2.97445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63853e+04   -2.44483e+06    4.79515e+05   -1.96531e+06    2.31739e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10878e+02   -2.07866e+02    4.56178e+01    5.56668e-06


DD  step 219044999 load imb.: force 17.1%  pme mesh/force 0.778
           Step           Time
      219045000   438090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85758e+03    1.92345e+04    1.29573e+04    1.18959e+03   -3.18420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95362e+03    9.28271e+04    4.02875e+05   -2.34172e+04   -2.98260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63787e+04   -2.45092e+06    4.78206e+05   -1.97272e+06    2.31745e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10030e+02   -2.07836e+02    8.39222e+01    5.57944e-06


DD  step 219049999 load imb.: force 17.8%  pme mesh/force 0.774
           Step           Time
      219050000   438100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00225e+03    1.91518e+04    1.29597e+04    1.21082e+03   -3.04458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90990e+03    9.34221e+04    3.98059e+05   -2.33618e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63527e+04   -2.44950e+06    4.77467e+05   -1.97203e+06    2.31751e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09550e+02   -2.06855e+02   -1.08005e+02    5.56294e-06


DD  step 219054999 load imb.: force 18.3%  pme mesh/force 0.803
           Step           Time
      219055000   438110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14608e+03    1.92893e+04    1.29685e+04    1.13367e+03   -3.20323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85499e+03    9.38459e+04    3.98031e+05   -2.33745e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65488e+04   -2.44780e+06    4.78227e+05   -1.96958e+06    2.31757e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10043e+02   -2.07079e+02   -7.13336e+01    5.50234e-06


DD  step 219059999 load imb.: force 19.3%  pme mesh/force 0.802
           Step           Time
      219060000   438120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15249e+03    1.93799e+04    1.29993e+04    1.15012e+03   -3.18648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80247e+03    9.29607e+04    4.02261e+05   -2.34269e+04   -2.97936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64368e+04   -2.44783e+06    4.78752e+05   -1.96908e+06    2.31763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.08008e+02    7.09765e+01    5.62927e-06


DD  step 219064999 load imb.: force 17.9%  pme mesh/force 0.750
           Step           Time
      219065000   438130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02510e+03    1.94730e+04    1.31214e+04    1.16377e+03   -3.07936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91723e+03    9.35205e+04    4.03247e+05   -2.33754e+04   -2.98022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63709e+04   -2.44684e+06    4.80212e+05   -1.96663e+06    2.31769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11330e+02   -2.07095e+02    8.04970e+01    5.57159e-06


DD  step 219069999 load imb.: force 19.2%  pme mesh/force 0.777
           Step           Time
      219070000   438140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98753e+03    1.97466e+04    1.30494e+04    1.14709e+03   -2.96505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83249e+03    9.35649e+04    4.01150e+05   -2.34242e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64061e+04   -2.44844e+06    4.80992e+05   -1.96744e+06    2.31775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.07960e+02    1.32915e+01    5.48189e-06


DD  step 219074999 load imb.: force 18.2%  pme mesh/force 0.760
           Step           Time
      219075000   438150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00656e+03    1.92049e+04    1.30703e+04    1.19695e+03   -3.06384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95197e+03    9.34156e+04    4.00898e+05   -2.33772e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65733e+04   -2.44529e+06    4.78602e+05   -1.96669e+06    2.31781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10286e+02   -2.07127e+02    2.54911e+01    5.78944e-06


DD  step 219079999 load imb.: force 19.2%  pme mesh/force 0.770
           Step           Time
      219080000   438160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05589e+03    1.98184e+04    1.31109e+04    1.10906e+03   -3.13748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93911e+03    9.30963e+04    4.01736e+05   -2.33756e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65561e+04   -2.44755e+06    4.80175e+05   -1.96737e+06    2.31786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11306e+02   -2.07099e+02    3.60669e+01    5.58278e-06


DD  step 219084999 load imb.: force 18.6%  pme mesh/force 0.784
           Step           Time
      219085000   438170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23560e+03    1.92237e+04    1.31232e+04    1.16978e+03   -2.98881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80696e+03    9.28652e+04    4.00732e+05   -2.34011e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66224e+04   -2.44899e+06    4.78796e+05   -1.97019e+06    2.31792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10412e+02   -2.07550e+02   -3.18966e+01    5.44469e-06


DD  step 219089999 load imb.: force 18.6%  pme mesh/force 0.791
           Step           Time
      219090000   438180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74622e+03    1.96308e+04    1.30507e+04    1.17456e+03   -3.14283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83983e+03    9.29591e+04    3.99090e+05   -2.33675e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65510e+04   -2.44762e+06    4.77681e+05   -1.96994e+06    2.31797e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09689e+02   -2.06955e+02   -6.20365e+01    5.70076e-06


DD  step 219094999 load imb.: force 19.7%  pme mesh/force 0.785
           Step           Time
      219095000   438190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03642e+03    1.94874e+04    1.30428e+04    1.13405e+03   -3.12333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88800e+03    9.32398e+04    4.04150e+05   -2.34248e+04   -2.98182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63813e+04   -2.44801e+06    4.80217e+05   -1.96780e+06    2.31803e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.07971e+02    1.53438e+02    5.47834e-06


DD  step 219099999 load imb.: force 20.0%  pme mesh/force 0.819
           Step           Time
      219100000   438200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16851e+03    1.95892e+04    1.31405e+04    1.11708e+03   -3.09731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92930e+03    9.27012e+04    3.97929e+05   -2.33768e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66838e+04   -2.44615e+06    4.82143e+05   -1.96401e+06    2.31809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12582e+02   -2.07121e+02   -6.28705e+01    5.48530e-06


DD  step 219104999 load imb.: force 19.5%  pme mesh/force 0.784
           Step           Time
      219105000   438210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91883e+03    1.95092e+04    1.31901e+04    1.04979e+03   -3.10907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83140e+03    9.28561e+04    4.02057e+05   -2.34175e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64602e+04   -2.44623e+06    4.78255e+05   -1.96798e+06    2.31814e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10061e+02   -2.07842e+02    1.01597e+02    5.75130e-06


DD  step 219109999 load imb.: force 17.8%  pme mesh/force 0.771
           Step           Time
      219110000   438220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07794e+03    1.92800e+04    1.31320e+04    1.26305e+03   -2.95328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85923e+03    9.28370e+04    3.99552e+05   -2.33774e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65334e+04   -2.44687e+06    4.80406e+05   -1.96647e+06    2.31821e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.07130e+02   -3.58685e+01    5.65682e-06


DD  step 219114999 load imb.: force 18.3%  pme mesh/force 0.741
           Step           Time
      219115000   438230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97806e+03    1.98979e+04    1.30779e+04    1.19739e+03   -3.01609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83160e+03    9.25522e+04    3.97365e+05   -2.33793e+04   -2.97233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64593e+04   -2.44537e+06    4.80991e+05   -1.96438e+06    2.31827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.07164e+02   -5.94206e+01    5.63048e-06


DD  step 219119999 load imb.: force 22.0%  pme mesh/force 0.785
           Step           Time
      219120000   438240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.45218e+03    1.94635e+04    1.29807e+04    1.23332e+03   -3.08085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84846e+03    9.30187e+04    4.01692e+05   -2.33803e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65649e+04   -2.44520e+06    4.81268e+05   -1.96393e+06    2.31833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12014e+02   -2.07182e+02    3.33985e+01    5.85932e-06


DD  step 219124999 load imb.: force 18.0%  pme mesh/force 0.780
           Step           Time
      219125000   438250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96282e+03    1.95317e+04    1.29279e+04    1.23299e+03   -3.07665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94424e+03    9.28935e+04    3.99122e+05   -2.34074e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63245e+04   -2.44832e+06    4.78190e+05   -1.97013e+06    2.31839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10019e+02   -2.07662e+02    8.59262e+00    5.53625e-06


DD  step 219129999 load imb.: force 17.0%  pme mesh/force 0.769
           Step           Time
      219130000   438260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06770e+03    1.94746e+04    1.30494e+04    1.15918e+03   -3.07968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86741e+03    9.29808e+04    4.01703e+05   -2.33393e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64511e+04   -2.44634e+06    4.81761e+05   -1.96458e+06    2.31844e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12334e+02   -2.06457e+02    3.41818e+01    5.61555e-06


DD  step 219134999 load imb.: force 20.8%  pme mesh/force 0.791
           Step           Time
      219135000   438270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14252e+03    1.97722e+04    1.30019e+04    1.14217e+03   -3.12589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83268e+03    9.25494e+04    3.99515e+05   -2.33788e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64637e+04   -2.44646e+06    4.79219e+05   -1.96724e+06    2.31850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10686e+02   -2.07155e+02   -4.12031e+01    5.48981e-06

Writing checkpoint, step 219135050 at Tue Nov  7 18:46:28 2023



DD  step 219139999 load imb.: force 16.7%  pme mesh/force 0.771
           Step           Time
      219140000   438280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69934e+03    1.96318e+04    1.29836e+04    1.20527e+03   -3.08897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81321e+03    9.28856e+04    4.00304e+05   -2.33636e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63683e+04   -2.44682e+06    4.78974e+05   -1.96784e+06    2.31856e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10527e+02   -2.06886e+02   -3.31566e+01    5.51761e-06


DD  step 219144999 load imb.: force 17.1%  pme mesh/force 0.769
           Step           Time
      219145000   438290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06842e+03    1.99430e+04    1.31140e+04    1.15670e+03   -3.05883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85456e+03    9.31580e+04    4.00389e+05   -2.34007e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65710e+04   -2.44650e+06    4.80431e+05   -1.96607e+06    2.31862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11472e+02   -2.07543e+02    2.20184e+01    5.68296e-06


DD  step 219149999 load imb.: force 17.9%  pme mesh/force 0.780
           Step           Time
      219150000   438300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10112e+03    1.94827e+04    1.30431e+04    1.15955e+03   -3.11158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85385e+03    9.29897e+04    4.01793e+05   -2.34300e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64490e+04   -2.44810e+06    4.80981e+05   -1.96712e+06    2.31867e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11829e+02   -2.08063e+02    6.58250e+01    5.63386e-06


DD  step 219154999 load imb.: force 18.2%  pme mesh/force 0.769
           Step           Time
      219155000   438310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15727e+03    1.95266e+04    1.30636e+04    1.18835e+03   -3.15722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87589e+03    9.29556e+04    4.00051e+05   -2.33504e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64061e+04   -2.44738e+06    4.78173e+05   -1.96920e+06    2.31873e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10008e+02   -2.06654e+02   -4.65446e+01    5.55266e-06


DD  step 219159999 load imb.: force 17.3%  pme mesh/force 0.786
           Step           Time
      219160000   438320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95757e+03    1.96548e+04    1.31308e+04    1.13804e+03   -3.08910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86471e+03    9.29799e+04    4.01177e+05   -2.33916e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62733e+04   -2.44850e+06    4.81110e+05   -1.96739e+06    2.31878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11912e+02   -2.07383e+02    2.90163e+01    5.53066e-06


DD  step 219164999 load imb.: force 19.9%  pme mesh/force 0.818
           Step           Time
      219165000   438330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90394e+03    1.94493e+04    1.30672e+04    1.19185e+03   -3.14930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88231e+03    9.35124e+04    4.01609e+05   -2.33949e+04   -2.98135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64930e+04   -2.44979e+06    4.79670e+05   -1.97012e+06    2.31885e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.07440e+02    1.99469e+01    5.51651e-06


DD  step 219169999 load imb.: force 18.4%  pme mesh/force 0.778
           Step           Time
      219170000   438340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78666e+03    1.98290e+04    1.31059e+04    1.22270e+03   -3.04858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85099e+03    9.30849e+04    4.00596e+05   -2.33759e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66050e+04   -2.44684e+06    4.79200e+05   -1.96764e+06    2.31890e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10674e+02   -2.07103e+02    1.57850e+01    5.41892e-06


DD  step 219174999 load imb.: force 20.1%  pme mesh/force 0.801
           Step           Time
      219175000   438350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23266e+03    1.99149e+04    1.29604e+04    1.16890e+03   -3.06014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77197e+03    9.24773e+04    4.00391e+05   -2.33776e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65839e+04   -2.44658e+06    4.80686e+05   -1.96590e+06    2.31896e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11637e+02   -2.07135e+02   -3.95810e+00    5.48756e-06


DD  step 219179999 load imb.: force 20.1%  pme mesh/force 0.803
           Step           Time
      219180000   438360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99097e+03    1.93973e+04    1.32095e+04    1.15645e+03   -3.00461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89129e+03    9.30279e+04    4.03877e+05   -2.34081e+04   -2.98317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66813e+04   -2.44936e+06    4.77376e+05   -1.97198e+06    2.31902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09491e+02   -2.07674e+02    9.78456e+01    5.49492e-06


DD  step 219184999 load imb.: force 20.1%  pme mesh/force 0.819
           Step           Time
      219185000   438370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99186e+03    1.96005e+04    1.31547e+04    1.21978e+03   -2.95962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75204e+03    9.27673e+04    4.02970e+05   -2.33928e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65343e+04   -2.44907e+06    4.77792e+05   -1.97128e+06    2.31908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09761e+02   -2.07404e+02    5.42793e+01    5.53238e-06


DD  step 219189999 load imb.: force 19.4%  pme mesh/force 0.779
           Step           Time
      219190000   438380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96765e+03    1.96464e+04    1.30272e+04    1.16067e+03   -3.10020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90472e+03    9.28679e+04    4.01894e+05   -2.33521e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65049e+04   -2.44544e+06    4.82322e+05   -1.96312e+06    2.31913e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12698e+02   -2.06683e+02    6.99021e+01    5.62353e-06


DD  step 219194999 load imb.: force 18.3%  pme mesh/force 0.818
           Step           Time
      219195000   438390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72638e+03    1.92295e+04    1.31524e+04    1.20062e+03   -3.00681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85578e+03    9.29303e+04    4.02906e+05   -2.33741e+04   -2.98144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64305e+04   -2.44939e+06    4.76876e+05   -1.97251e+06    2.31919e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09167e+02   -2.07072e+02    3.41299e+01    5.63634e-06


DD  step 219199999 load imb.: force 19.8%  pme mesh/force 0.814
           Step           Time
      219200000   438400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18722e+03    1.96128e+04    1.29268e+04    1.17192e+03   -3.02357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86325e+03    9.28412e+04    4.00942e+05   -2.33567e+04   -2.97575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67245e+04   -2.44486e+06    4.79251e+05   -1.96561e+06    2.31925e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.06765e+02    1.14158e+01    5.43534e-06


DD  step 219204999 load imb.: force 18.1%  pme mesh/force 0.799
           Step           Time
      219205000   438410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02598e+03    1.90513e+04    1.31071e+04    1.20475e+03   -3.01847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86284e+03    9.26484e+04    3.99086e+05   -2.33947e+04   -2.97314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64029e+04   -2.44516e+06    4.78454e+05   -1.96671e+06    2.31930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10190e+02   -2.07437e+02   -2.71977e+01    5.57136e-06


DD  step 219209999 load imb.: force 19.2%  pme mesh/force 0.796
           Step           Time
      219210000   438420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00134e+03    1.92291e+04    1.30752e+04    1.12419e+03   -3.04471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82680e+03    9.26383e+04    3.98859e+05   -2.33736e+04   -2.97456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65437e+04   -2.44668e+06    4.76168e+05   -1.97051e+06    2.31936e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08708e+02   -2.07063e+02   -7.63015e+01    5.62683e-06


DD  step 219214999 load imb.: force 19.2%  pme mesh/force 0.804
           Step           Time
      219215000   438430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84730e+03    1.90691e+04    1.28922e+04    1.13202e+03   -3.10120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86376e+03    9.24302e+04    4.03283e+05   -2.34296e+04   -2.98054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65769e+04   -2.44897e+06    4.78013e+05   -1.97096e+06    2.31942e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09905e+02   -2.08056e+02    1.19254e+02    5.75709e-06


DD  step 219219999 load imb.: force 16.9%  pme mesh/force 0.796
           Step           Time
      219220000   438440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95872e+03    1.97793e+04    1.30404e+04    1.28830e+03   -3.11494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92019e+03    9.26549e+04    3.99523e+05   -2.33874e+04   -2.97392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64239e+04   -2.44483e+06    4.80949e+05   -1.96388e+06    2.31948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11808e+02   -2.07309e+02    3.60929e+01    5.56509e-06


DD  step 219224999 load imb.: force 19.2%  pme mesh/force 0.785
           Step           Time
      219225000   438450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87781e+03    1.95051e+04    1.31261e+04    1.30983e+03   -3.04585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94239e+03    9.28301e+04    3.99054e+05   -2.33490e+04   -2.97322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62833e+04   -2.44469e+06    4.80216e+05   -1.96447e+06    2.31954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.06629e+02    2.45346e-01    5.62562e-06


DD  step 219229999 load imb.: force 18.7%  pme mesh/force 0.829
           Step           Time
      219230000   438460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26819e+03    1.92838e+04    1.32346e+04    1.15940e+03   -3.09394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76394e+03    9.19676e+04    4.01327e+05   -2.34374e+04   -2.97950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64776e+04   -2.44955e+06    4.78827e+05   -1.97072e+06    2.31960e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10432e+02   -2.08194e+02    3.98777e+01    5.42739e-06


DD  step 219234999 load imb.: force 19.9%  pme mesh/force 0.810
           Step           Time
      219235000   438470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88396e+03    1.96247e+04    1.30642e+04    1.16717e+03   -3.04521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77038e+03    9.24570e+04    4.01166e+05   -2.33638e+04   -2.97693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67361e+04   -2.44647e+06    4.77160e+05   -1.96931e+06    2.31965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09352e+02   -2.06890e+02   -2.61438e+01    5.63315e-06


DD  step 219239999 load imb.: force 20.6%  pme mesh/force 0.810
           Step           Time
      219240000   438480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10204e+03    1.96430e+04    1.30508e+04    1.18348e+03   -2.99486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84880e+03    9.24735e+04    3.95634e+05   -2.33750e+04   -2.96788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64212e+04   -2.44289e+06    4.81352e+05   -1.96154e+06    2.31971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12069e+02   -2.07088e+02   -1.35111e+02    5.68056e-06


DD  step 219244999 load imb.: force 18.5%  pme mesh/force 0.813
           Step           Time
      219245000   438490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95434e+03    1.91093e+04    1.30456e+04    1.11518e+03   -3.03032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90371e+03    9.30326e+04    3.99621e+05   -2.34152e+04   -2.97797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64536e+04   -2.44918e+06    4.80635e+05   -1.96855e+06    2.31977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11604e+02   -2.07800e+02    2.11769e+01    5.64554e-06


DD  step 219249999 load imb.: force 19.4%  pme mesh/force 0.814
           Step           Time
      219250000   438500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96960e+03    1.96156e+04    1.28732e+04    1.11983e+03   -3.07776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73137e+03    9.24230e+04    4.00947e+05   -2.33801e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65420e+04   -2.44646e+06    4.81921e+05   -1.96454e+06    2.31982e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12438e+02   -2.07179e+02    2.33329e+01    5.68207e-06


DD  step 219254999 load imb.: force 18.7%  pme mesh/force 0.794
           Step           Time
      219255000   438510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15676e+03    1.97276e+04    1.30486e+04    1.24066e+03   -2.99185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80673e+03    9.27498e+04    4.00589e+05   -2.33741e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64289e+04   -2.44568e+06    4.82175e+05   -1.96351e+06    2.31989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12602e+02   -2.07072e+02    8.65248e+00    5.39517e-06


DD  step 219259999 load imb.: force 18.8%  pme mesh/force 0.803
           Step           Time
      219260000   438520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07221e+03    1.90916e+04    1.27832e+04    1.07375e+03   -3.06494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84724e+03    9.22057e+04    4.01148e+05   -2.33361e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64649e+04   -2.45011e+06    4.78283e+05   -1.97183e+06    2.31994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10079e+02   -2.06401e+02    2.65357e+01    5.71098e-06


DD  step 219264999 load imb.: force 17.5%  pme mesh/force 0.756
           Step           Time
      219265000   438530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06459e+03    1.92061e+04    1.30269e+04    1.16868e+03   -3.07480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92495e+03    9.24796e+04    4.01087e+05   -2.33791e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63770e+04   -2.44822e+06    4.78818e+05   -1.96940e+06    2.32000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.07160e+02    7.39041e+01    5.43417e-06


DD  step 219269999 load imb.: force 18.0%  pme mesh/force 0.799
           Step           Time
      219270000   438540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16281e+03    1.95463e+04    1.30201e+04    1.25908e+03   -3.06868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89308e+03    9.21007e+04    4.00139e+05   -2.33757e+04   -2.97473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64156e+04   -2.44564e+06    4.79298e+05   -1.96634e+06    2.32006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.07100e+02    2.03649e+01    5.67366e-06


DD  step 219274999 load imb.: force 19.0%  pme mesh/force 0.831
           Step           Time
      219275000   438550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06391e+03    1.95743e+04    1.29224e+04    1.12798e+03   -2.98759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88898e+03    9.22905e+04    4.00292e+05   -2.33723e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65935e+04   -2.44656e+06    4.81697e+05   -1.96486e+06    2.32011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12293e+02   -2.07040e+02    4.22452e+01    5.53566e-06


DD  step 219279999 load imb.: force 19.4%  pme mesh/force 0.768
           Step           Time
      219280000   438560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91425e+03    1.94580e+04    1.31249e+04    1.17573e+03   -3.11007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81291e+03    9.25082e+04    3.99503e+05   -2.34105e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66458e+04   -2.44969e+06    4.80321e+05   -1.96937e+06    2.32017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11401e+02   -2.07718e+02   -7.35914e+01    5.55300e-06


DD  step 219284999 load imb.: force 18.1%  pme mesh/force 0.795
           Step           Time
      219285000   438570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94105e+03    1.98101e+04    1.28346e+04    1.14351e+03   -3.03722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80027e+03    9.29362e+04    4.04830e+05   -2.33590e+04   -2.98111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65209e+04   -2.44669e+06    4.81100e+05   -1.96559e+06    2.32023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11905e+02   -2.06806e+02    1.03554e+02    5.58991e-06


DD  step 219289999 load imb.: force 16.8%  pme mesh/force 0.763
           Step           Time
      219290000   438580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17875e+03    1.96275e+04    1.30552e+04    1.18776e+03   -3.09995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91073e+03    9.22939e+04    4.01755e+05   -2.34432e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64367e+04   -2.44734e+06    4.79915e+05   -1.96743e+06    2.32029e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.08297e+02    6.56078e+01    5.55855e-06


DD  step 219294999 load imb.: force 17.1%  pme mesh/force 0.777
           Step           Time
      219295000   438590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99635e+03    1.94407e+04    1.33459e+04    1.16150e+03   -3.05451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80157e+03    9.27078e+04    3.99917e+05   -2.33374e+04   -2.97507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63717e+04   -2.44572e+06    4.80035e+05   -1.96568e+06    2.32035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.06424e+02   -8.45514e+00    5.66061e-06


DD  step 219299999 load imb.: force 18.4%  pme mesh/force 0.793
           Step           Time
      219300000   438600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94774e+03    1.93078e+04    1.30717e+04    1.19431e+03   -2.91078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87342e+03    9.26290e+04    3.95768e+05   -2.34024e+04   -2.97156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66731e+04   -2.44641e+06    4.79913e+05   -1.96649e+06    2.32041e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11136e+02   -2.07573e+02   -4.87939e+01    5.39132e-06


DD  step 219304999 load imb.: force 17.4%  pme mesh/force 0.798
           Step           Time
      219305000   438610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02551e+03    1.97284e+04    1.29640e+04    1.17373e+03   -3.02535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91604e+03    9.24598e+04    3.99404e+05   -2.34092e+04   -2.97399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65134e+04   -2.44524e+06    4.81990e+05   -1.96325e+06    2.32046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12483e+02   -2.07695e+02    4.33934e+01    5.63767e-06


DD  step 219309999 load imb.: force 16.9%  pme mesh/force 0.791
           Step           Time
      219310000   438620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84593e+03    1.91265e+04    1.30098e+04    1.13115e+03   -3.00700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85228e+03    9.30704e+04    3.96575e+05   -2.33553e+04   -2.97098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65427e+04   -2.44519e+06    4.77459e+05   -1.96773e+06    2.32052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09545e+02   -2.06740e+02   -1.11417e+02    5.57136e-06


DD  step 219314999 load imb.: force 16.2%  pme mesh/force 0.768
           Step           Time
      219315000   438630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09109e+03    1.91734e+04    1.31082e+04    1.21184e+03   -3.00004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81873e+03    9.25843e+04    4.00086e+05   -2.33115e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62304e+04   -2.44902e+06    4.78616e+05   -1.97041e+06    2.32058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10295e+02   -2.05966e+02   -1.14833e+02    5.61971e-06


DD  step 219319999 load imb.: force 16.1%  pme mesh/force 0.758
           Step           Time
      219320000   438640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22102e+03    1.94523e+04    1.30964e+04    1.21517e+03   -3.01189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96643e+03    9.27096e+04    3.96429e+05   -2.33479e+04   -2.97094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66399e+04   -2.44457e+06    4.80412e+05   -1.96416e+06    2.32064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11460e+02   -2.06609e+02   -8.61942e+01    5.37412e-06


DD  step 219324999 load imb.: force 16.3%  pme mesh/force 0.780
           Step           Time
      219325000   438650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07130e+03    1.94460e+04    1.30673e+04    1.17809e+03   -2.98486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82122e+03    9.28102e+04    4.00870e+05   -2.33716e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65861e+04   -2.44780e+06    4.80453e+05   -1.96735e+06    2.32069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.07029e+02   -8.36478e+01    5.60436e-06


DD  step 219329999 load imb.: force 16.7%  pme mesh/force 0.765
           Step           Time
      219330000   438660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10571e+03    1.93870e+04    1.28955e+04    1.13459e+03   -2.98055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90728e+03    9.27781e+04    3.99605e+05   -2.33543e+04   -2.97433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65500e+04   -2.44530e+06    4.80900e+05   -1.96440e+06    2.32075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11776e+02   -2.06722e+02   -4.78812e+00    5.48240e-06


DD  step 219334999 load imb.: force 18.3%  pme mesh/force 0.822
           Step           Time
      219335000   438670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03899e+03    1.94524e+04    1.27675e+04    1.21680e+03   -3.08112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89764e+03    9.27601e+04    3.98388e+05   -2.34201e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64702e+04   -2.44780e+06    4.78180e+05   -1.96962e+06    2.32081e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10013e+02   -2.07888e+02    1.76345e+01    5.50505e-06


DD  step 219339999 load imb.: force 16.2%  pme mesh/force 0.774
           Step           Time
      219340000   438680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98784e+03    1.94518e+04    1.32437e+04    1.23692e+03   -3.01035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99566e+03    9.26861e+04    3.99919e+05   -2.33542e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63215e+04   -2.44562e+06    4.78906e+05   -1.96671e+06    2.32087e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10484e+02   -2.06720e+02   -4.29182e+00    5.44454e-06


DD  step 219344999 load imb.: force 18.4%  pme mesh/force 0.800
           Step           Time
      219345000   438690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63126e+03    1.93947e+04    1.29059e+04    1.13503e+03   -2.97154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99787e+03    9.28380e+04    4.01378e+05   -2.34045e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61687e+04   -2.44988e+06    4.79213e+05   -1.97067e+06    2.32093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10682e+02   -2.07610e+02    1.54998e+01    5.63773e-06


DD  step 219349999 load imb.: force 18.4%  pme mesh/force 0.802
           Step           Time
      219350000   438700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82337e+03    1.91728e+04    1.29456e+04    1.19475e+03   -3.04531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89878e+03    9.30256e+04    4.00417e+05   -2.33963e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65292e+04   -2.44820e+06    4.80044e+05   -1.96815e+06    2.32098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11221e+02   -2.07465e+02    3.63646e+00    5.61795e-06


DD  step 219354999 load imb.: force 17.9%  pme mesh/force 0.789
           Step           Time
      219355000   438710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89992e+03    1.94951e+04    1.31676e+04    1.06908e+03   -3.09621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88774e+03    9.29913e+04    3.99528e+05   -2.34069e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65146e+04   -2.44593e+06    4.81193e+05   -1.96473e+06    2.32104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11966e+02   -2.07653e+02    3.61707e+01    5.61041e-06


DD  step 219359999 load imb.: force 19.2%  pme mesh/force 0.814
           Step           Time
      219360000   438720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90570e+03    1.92118e+04    1.29530e+04    1.18281e+03   -2.90655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88487e+03    9.34024e+04    3.99783e+05   -2.33501e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64879e+04   -2.44530e+06    4.80866e+05   -1.96444e+06    2.32110e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11754e+02   -2.06648e+02   -2.79707e+01    5.73556e-06


DD  step 219364999 load imb.: force 19.4%  pme mesh/force 0.823
           Step           Time
      219365000   438730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27254e+03    1.94702e+04    1.30393e+04    1.17158e+03   -3.17284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67495e+03    9.29998e+04    3.99111e+05   -2.33782e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65541e+04   -2.44624e+06    4.78463e+05   -1.96778e+06    2.32116e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10196e+02   -2.07145e+02   -9.16648e+01    5.60760e-06


DD  step 219369999 load imb.: force 18.2%  pme mesh/force 0.801
           Step           Time
      219370000   438740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07513e+03    1.97676e+04    1.28053e+04    1.08567e+03   -3.18141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79332e+03    9.27541e+04    4.01730e+05   -2.33501e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64856e+04   -2.44642e+06    4.81071e+05   -1.96535e+06    2.32121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11887e+02   -2.06647e+02   -3.00951e+00    5.55269e-06


DD  step 219374999 load imb.: force 17.5%  pme mesh/force 0.784
           Step           Time
      219375000   438750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22146e+03    1.91269e+04    1.30793e+04    1.13828e+03   -3.01165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81943e+03    9.32639e+04    4.02490e+05   -2.33974e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64666e+04   -2.44588e+06    4.78429e+05   -1.96745e+06    2.32127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10174e+02   -2.07485e+02    5.88176e+01    5.51466e-06


DD  step 219379999 load imb.: force 15.8%  pme mesh/force 0.749
           Step           Time
      219380000   438760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76734e+03    1.95105e+04    1.28235e+04    1.16687e+03   -2.93555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91593e+03    9.21744e+04    3.99388e+05   -2.33725e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63192e+04   -2.44803e+06    4.80278e+05   -1.96775e+06    2.32133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11373e+02   -2.07044e+02   -2.89970e+01    5.61453e-06


DD  step 219384999 load imb.: force 15.8%  pme mesh/force 0.768
           Step           Time
      219385000   438770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10736e+03    1.91161e+04    1.30037e+04    1.14253e+03   -3.04525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82110e+03    9.25881e+04    4.00347e+05   -2.33528e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65291e+04   -2.44572e+06    4.81374e+05   -1.96434e+06    2.32138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12083e+02   -2.06695e+02   -2.59009e+01    5.57333e-06


DD  step 219389999 load imb.: force 17.4%  pme mesh/force 0.794
           Step           Time
      219390000   438780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96191e+03    1.91513e+04    1.30187e+04    1.18976e+03   -3.06654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97490e+03    9.32497e+04    3.99972e+05   -2.34035e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62840e+04   -2.44783e+06    4.81993e+05   -1.96584e+06    2.32144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12485e+02   -2.07594e+02    6.26971e+00    5.66147e-06


DD  step 219394999 load imb.: force 17.9%  pme mesh/force 0.777
           Step           Time
      219395000   438790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91465e+03    1.93149e+04    1.29286e+04    1.33001e+03   -2.90832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81319e+03    9.31810e+04    3.98281e+05   -2.33307e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63347e+04   -2.44757e+06    4.80946e+05   -1.96662e+06    2.32150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.06306e+02   -1.18595e+02    5.75357e-06


DD  step 219399999 load imb.: force 16.6%  pme mesh/force 0.771
           Step           Time
      219400000   438800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32465e+03    1.96083e+04    1.29046e+04    1.21272e+03   -3.06884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82159e+03    9.30745e+04    3.98278e+05   -2.33550e+04   -2.97433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64332e+04   -2.44609e+06    4.77482e+05   -1.96861e+06    2.32157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09560e+02   -2.06735e+02   -7.28962e+01    5.62016e-06


DD  step 219404999 load imb.: force 17.6%  pme mesh/force 0.772
           Step           Time
      219405000   438810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87484e+03    1.93477e+04    1.30846e+04    1.24547e+03   -2.92201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91131e+03    9.32273e+04    4.01449e+05   -2.34024e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64376e+04   -2.44704e+06    4.81025e+05   -1.96601e+06    2.32162e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11857e+02   -2.07574e+02    8.52125e+01    5.64634e-06


DD  step 219409999 load imb.: force 19.0%  pme mesh/force 0.830
           Step           Time
      219410000   438820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08026e+03    1.95101e+04    1.30063e+04    1.22768e+03   -3.00953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81577e+03    9.26936e+04    3.99938e+05   -2.33973e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65232e+04   -2.44615e+06    4.79903e+05   -1.96624e+06    2.32167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11130e+02   -2.07484e+02   -7.61385e+00    5.54799e-06


DD  step 219414999 load imb.: force 17.6%  pme mesh/force 0.804
           Step           Time
      219415000   438830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06227e+03    1.94146e+04    1.32320e+04    1.23845e+03   -3.00527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74266e+03    9.29010e+04    4.01855e+05   -2.33585e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64167e+04   -2.44599e+06    4.80254e+05   -1.96574e+06    2.32174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.06796e+02    4.01916e+01    5.66343e-06


DD  step 219419999 load imb.: force 18.7%  pme mesh/force 0.816
           Step           Time
      219420000   438840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20010e+03    1.90336e+04    1.31093e+04    1.16760e+03   -3.07977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73388e+03    9.29988e+04    3.98168e+05   -2.33665e+04   -2.97525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64966e+04   -2.44779e+06    4.78388e+05   -1.96940e+06    2.32179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10148e+02   -2.06937e+02   -1.27579e+02    5.65992e-06


DD  step 219424999 load imb.: force 16.9%  pme mesh/force 0.791
           Step           Time
      219425000   438850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05820e+03    1.96661e+04    1.28990e+04    1.13364e+03   -3.05860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77967e+03    9.28361e+04    4.04506e+05   -2.34061e+04   -2.98291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67137e+04   -2.44878e+06    4.79737e+05   -1.96904e+06    2.32185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.07640e+02    7.05198e+01    5.52053e-06


DD  step 219429999 load imb.: force 18.0%  pme mesh/force 0.792
           Step           Time
      219430000   438860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12903e+03    1.94476e+04    1.29805e+04    1.14741e+03   -2.95926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85642e+03    9.26585e+04    4.00507e+05   -2.34397e+04   -2.98110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64376e+04   -2.45133e+06    4.77331e+05   -1.97400e+06    2.32191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09462e+02   -2.08234e+02   -7.75739e+01    5.59306e-06


DD  step 219434999 load imb.: force 23.9%  pme mesh/force 0.825
           Step           Time
      219435000   438870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11681e+03    1.95782e+04    1.30076e+04    1.14204e+03   -3.05017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77908e+03    9.33033e+04    3.97356e+05   -2.33756e+04   -2.97328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66733e+04   -2.44575e+06    4.79930e+05   -1.96582e+06    2.32196e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11147e+02   -2.07099e+02   -8.67371e+01    5.57421e-06


DD  step 219439999 load imb.: force 16.9%  pme mesh/force 0.766
           Step           Time
      219440000   438880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86356e+03    1.94773e+04    1.29163e+04    1.20497e+03   -2.98751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74746e+03    9.31149e+04    4.01270e+05   -2.33755e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64350e+04   -2.44593e+06    4.80339e+05   -1.96559e+06    2.32201e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11412e+02   -2.07097e+02    5.89908e+01    5.61173e-06


DD  step 219444999 load imb.: force 17.9%  pme mesh/force 0.801
           Step           Time
      219445000   438890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94395e+03    1.95829e+04    1.32727e+04    1.22643e+03   -3.05039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79908e+03    9.28631e+04    4.01584e+05   -2.33449e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67172e+04   -2.44504e+06    4.82262e+05   -1.96278e+06    2.32207e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12659e+02   -2.06556e+02    1.05486e+01    5.53216e-06


DD  step 219449999 load imb.: force 19.2%  pme mesh/force 0.801
           Step           Time
      219450000   438900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99677e+03    1.95491e+04    1.30908e+04    1.21393e+03   -3.08155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80001e+03    9.32975e+04    3.97559e+05   -2.33649e+04   -2.97063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63564e+04   -2.44322e+06    4.79031e+05   -1.96419e+06    2.32213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10564e+02   -2.06910e+02   -2.04081e+01    5.61632e-06


DD  step 219454999 load imb.: force 18.4%  pme mesh/force 0.795
           Step           Time
      219455000   438910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07127e+03    1.94882e+04    1.30384e+04    1.30135e+03   -3.03970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82612e+03    9.25642e+04    3.99817e+05   -2.33769e+04   -2.97548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66336e+04   -2.44616e+06    4.80186e+05   -1.96597e+06    2.32219e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.07122e+02   -1.47424e+01    5.51468e-06

Writing checkpoint, step 219459700 at Tue Nov  7 19:01:28 2023



DD  step 219459999 load imb.: force 20.0%  pme mesh/force 0.810
           Step           Time
      219460000   438920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04840e+03    1.90787e+04    1.31394e+04    1.27565e+03   -2.99879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93847e+03    9.35317e+04    4.01572e+05   -2.33587e+04   -2.97848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65691e+04   -2.44668e+06    4.79266e+05   -1.96742e+06    2.32225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10716e+02   -2.06800e+02    1.96889e+01    5.65123e-06


DD  step 219464999 load imb.: force 15.8%  pme mesh/force 0.735
           Step           Time
      219465000   438930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09200e+03    1.96952e+04    1.28467e+04    1.15319e+03   -3.16478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83441e+03    9.29162e+04    4.01447e+05   -2.33421e+04   -2.97904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64798e+04   -2.44808e+06    4.79788e+05   -1.96830e+06    2.32230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11055e+02   -2.06506e+02    3.23228e+01    5.55292e-06


DD  step 219469999 load imb.: force 16.2%  pme mesh/force 0.710
           Step           Time
      219470000   438940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77894e+03    1.94075e+04    1.29299e+04    1.16814e+03   -3.06770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78459e+03    9.31484e+04    3.99438e+05   -2.33879e+04   -2.97485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63386e+04   -2.44631e+06    4.78265e+05   -1.96804e+06    2.32236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10068e+02   -2.07316e+02    4.51288e+00    5.41956e-06


DD  step 219474999 load imb.: force 18.7%  pme mesh/force 0.787
           Step           Time
      219475000   438950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16301e+03    1.96521e+04    1.32207e+04    1.17908e+03   -3.07183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78160e+03    9.31663e+04    4.01171e+05   -2.33762e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65498e+04   -2.44612e+06    4.80134e+05   -1.96598e+06    2.32242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11280e+02   -2.07110e+02    1.63885e+01    5.59781e-06


DD  step 219479999 load imb.: force 20.9%  pme mesh/force 0.818
           Step           Time
      219480000   438960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90007e+03    1.97015e+04    1.29032e+04    1.15448e+03   -3.07397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84419e+03    9.27701e+04    3.97213e+05   -2.33396e+04   -2.97235e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66889e+04   -2.44559e+06    4.80345e+05   -1.96524e+06    2.32248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11416e+02   -2.06462e+02   -4.45682e+01    5.40901e-06


DD  step 219484999 load imb.: force 16.6%  pme mesh/force 0.761
           Step           Time
      219485000   438970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01067e+03    1.93337e+04    1.28567e+04    1.18586e+03   -3.00192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79175e+03    9.24709e+04    4.02505e+05   -2.34015e+04   -2.98040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64288e+04   -2.44922e+06    4.77274e+05   -1.97194e+06    2.32254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09426e+02   -2.07558e+02    1.00263e+01    5.55750e-06


DD  step 219489999 load imb.: force 18.8%  pme mesh/force 0.793
           Step           Time
      219490000   438980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94386e+03    1.97592e+04    1.31521e+04    1.16841e+03   -3.10629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64054e+03    9.32394e+04    4.02437e+05   -2.33974e+04   -2.98123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64073e+04   -2.44899e+06    4.78952e+05   -1.97004e+06    2.32260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10513e+02   -2.07485e+02   -2.11032e+01    5.72330e-06


DD  step 219494999 load imb.: force 19.1%  pme mesh/force 0.791
           Step           Time
      219495000   438990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86708e+03    1.95023e+04    1.30947e+04    1.21829e+03   -3.06676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81043e+03    9.31767e+04    3.99197e+05   -2.33506e+04   -2.97381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64196e+04   -2.44494e+06    4.80667e+05   -1.96428e+06    2.32265e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11625e+02   -2.06656e+02   -1.42632e+01    5.59241e-06


DD  step 219499999 load imb.: force 18.4%  pme mesh/force 0.775
           Step           Time
      219500000   439000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26050e+03    1.93231e+04    1.32104e+04    1.22959e+03   -3.10779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75599e+03    9.34326e+04    4.03918e+05   -2.34271e+04   -2.98257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63282e+04   -2.44865e+06    4.80982e+05   -1.96767e+06    2.32272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11829e+02   -2.08012e+02    1.18824e+02    5.70258e-06


DD  step 219504999 load imb.: force 18.4%  pme mesh/force 0.779
           Step           Time
      219505000   439010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11621e+03    1.92927e+04    1.29828e+04    1.24423e+03   -3.09644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85271e+03    9.30192e+04    4.01865e+05   -2.33758e+04   -2.98097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63914e+04   -2.44968e+06    4.78092e+05   -1.97159e+06    2.32277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09955e+02   -2.07102e+02    8.99315e+00    5.46625e-06


DD  step 219509999 load imb.: force 18.6%  pme mesh/force 0.798
           Step           Time
      219510000   439020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97167e+03    1.92301e+04    1.30980e+04    1.26435e+03   -3.01413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88827e+03    9.26737e+04    4.03647e+05   -2.34016e+04   -2.98265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63355e+04   -2.44996e+06    4.81273e+05   -1.96868e+06    2.32283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12018e+02   -2.07560e+02    9.57672e+01    5.45293e-06


DD  step 219514999 load imb.: force 19.5%  pme mesh/force 0.822
           Step           Time
      219515000   439030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02254e+03    1.93746e+04    1.31575e+04    1.19891e+03   -3.09014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86201e+03    9.27622e+04    3.99704e+05   -2.33158e+04   -2.97461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63308e+04   -2.44560e+06    4.80167e+05   -1.96544e+06    2.32288e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.06042e+02   -3.19128e+01    5.59424e-06


DD  step 219519999 load imb.: force 18.3%  pme mesh/force 0.767
           Step           Time
      219520000   439040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21390e+03    1.97202e+04    1.28605e+04    1.15306e+03   -3.02485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85686e+03    9.25594e+04    4.00980e+05   -2.33772e+04   -2.97714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65062e+04   -2.44669e+06    4.80551e+05   -1.96614e+06    2.32294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.07127e+02    2.58687e+01    5.51291e-06


DD  step 219524999 load imb.: force 17.5%  pme mesh/force 0.755
           Step           Time
      219525000   439050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10361e+03    1.94491e+04    1.29181e+04    1.13736e+03   -3.01640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79486e+03    9.32771e+04    3.99353e+05   -2.33570e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65328e+04   -2.44648e+06    4.78983e+05   -1.96750e+06    2.32300e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10533e+02   -2.06771e+02   -2.29959e+01    5.46296e-06


DD  step 219529999 load imb.: force 19.1%  pme mesh/force 0.776
           Step           Time
      219530000   439060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11775e+03    1.96623e+04    1.29321e+04    1.11794e+03   -3.08699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79646e+03    9.26711e+04    3.99385e+05   -2.33704e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67476e+04   -2.44547e+06    4.80027e+05   -1.96544e+06    2.32306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.07007e+02   -6.56785e+01    5.54946e-06


DD  step 219534999 load imb.: force 19.0%  pme mesh/force 0.780
           Step           Time
      219535000   439070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08303e+03    1.95243e+04    1.31238e+04    1.17895e+03   -3.13481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82805e+03    9.30223e+04    4.02686e+05   -2.34197e+04   -2.98023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63454e+04   -2.44800e+06    4.80393e+05   -1.96760e+06    2.32312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11447e+02   -2.07880e+02    8.72550e+01    5.49192e-06


DD  step 219539999 load imb.: force 17.9%  pme mesh/force 0.785
           Step           Time
      219540000   439080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98740e+03    1.95887e+04    1.32465e+04    1.19431e+03   -3.10113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80376e+03    9.29446e+04    3.98425e+05   -2.32986e+04   -2.97342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64206e+04   -2.44521e+06    4.80774e+05   -1.96444e+06    2.32318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11695e+02   -2.05739e+02   -8.02436e+01    5.64495e-06


DD  step 219544999 load imb.: force 17.3%  pme mesh/force 0.779
           Step           Time
      219545000   439090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00039e+03    1.98322e+04    1.28912e+04    1.17991e+03   -3.01131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75841e+03    9.28595e+04    3.99693e+05   -2.34084e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63947e+04   -2.44753e+06    4.78549e+05   -1.96898e+06    2.32324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10252e+02   -2.07680e+02   -9.99658e+00    5.48061e-06


DD  step 219549999 load imb.: force 18.1%  pme mesh/force 0.781
           Step           Time
      219550000   439100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89847e+03    1.94652e+04    1.30636e+04    1.19314e+03   -3.12965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73367e+03    9.36305e+04    3.99955e+05   -2.34544e+04   -2.98007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63354e+04   -2.45038e+06    4.80655e+05   -1.96972e+06    2.32330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11617e+02   -2.08495e+02    3.21593e+01    5.48513e-06


DD  step 219554999 load imb.: force 16.9%  pme mesh/force 0.774
           Step           Time
      219555000   439110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89260e+03    1.95219e+04    1.31285e+04    1.24468e+03   -3.12962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80017e+03    9.29576e+04    4.02869e+05   -2.34349e+04   -2.98123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63215e+04   -2.44906e+06    4.80684e+05   -1.96838e+06    2.32335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11636e+02   -2.08149e+02    8.62729e+01    5.50027e-06


DD  step 219559999 load imb.: force 21.0%  pme mesh/force 0.802
           Step           Time
      219560000   439120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91657e+03    1.94909e+04    1.29958e+04    1.17597e+03   -3.07798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88507e+03    9.24220e+04    3.99705e+05   -2.33362e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66133e+04   -2.44765e+06    4.77466e+05   -1.97018e+06    2.32341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09549e+02   -2.06403e+02   -5.59009e+01    5.51693e-06


DD  step 219564999 load imb.: force 17.3%  pme mesh/force 0.798
           Step           Time
      219565000   439130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00098e+03    1.93426e+04    1.31376e+04    1.18904e+03   -3.10408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86472e+03    9.28656e+04    4.02031e+05   -2.34358e+04   -2.98165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62715e+04   -2.45049e+06    4.78917e+05   -1.97157e+06    2.32347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.08166e+02    7.34261e+01    5.52004e-06


DD  step 219569999 load imb.: force 17.0%  pme mesh/force 0.754
           Step           Time
      219570000   439140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98510e+03    1.96438e+04    1.31683e+04    1.22796e+03   -3.07958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89193e+03    9.29500e+04    3.97597e+05   -2.33974e+04   -2.97291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64192e+04   -2.44551e+06    4.78314e+05   -1.96719e+06    2.32353e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10100e+02   -2.07485e+02   -2.15846e+01    5.41899e-06


DD  step 219574999 load imb.: force 17.0%  pme mesh/force 0.776
           Step           Time
      219575000   439150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11657e+03    1.91911e+04    1.30050e+04    1.15735e+03   -3.15433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78201e+03    9.28369e+04    4.00188e+05   -2.33581e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64000e+04   -2.45017e+06    4.78788e+05   -1.97139e+06    2.32358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10407e+02   -2.06789e+02   -5.93349e+01    5.44158e-06


DD  step 219579999 load imb.: force 17.3%  pme mesh/force 0.766
           Step           Time
      219580000   439160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23057e+03    1.89853e+04    1.30070e+04    1.22690e+03   -3.13098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76433e+03    9.30121e+04    4.03328e+05   -2.33850e+04   -2.98191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65228e+04   -2.44935e+06    4.80106e+05   -1.96924e+06    2.32364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11261e+02   -2.07266e+02    7.99516e+01    5.47364e-06


DD  step 219584999 load imb.: force 15.9%  pme mesh/force 0.778
           Step           Time
      219585000   439170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94750e+03    1.94644e+04    1.30010e+04    1.07544e+03   -2.93352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91895e+03    9.34691e+04    3.99724e+05   -2.33850e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64336e+04   -2.44581e+06    4.79302e+05   -1.96651e+06    2.32370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10740e+02   -2.07265e+02    3.57875e+01    5.64146e-06


DD  step 219589999 load imb.: force 17.4%  pme mesh/force 0.811
           Step           Time
      219590000   439180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07745e+03    1.99618e+04    1.30404e+04    1.14204e+03   -3.08704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90190e+03    9.28893e+04    4.01293e+05   -2.33692e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63744e+04   -2.44433e+06    4.80097e+05   -1.96423e+06    2.32377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11255e+02   -2.06986e+02    9.12180e+01    5.58104e-06


DD  step 219594999 load imb.: force 16.5%  pme mesh/force 0.807
           Step           Time
      219595000   439190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07697e+03    1.94613e+04    1.29770e+04    1.19716e+03   -3.02403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88228e+03    9.27685e+04    3.98497e+05   -2.33783e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67487e+04   -2.44654e+06    4.79624e+05   -1.96691e+06    2.32382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10949e+02   -2.07147e+02   -2.16479e+01    5.39249e-06


DD  step 219599999 load imb.: force 18.7%  pme mesh/force 0.782
           Step           Time
      219600000   439200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01563e+03    1.95362e+04    1.30111e+04    1.14990e+03   -3.03781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91313e+03    9.31179e+04    3.99940e+05   -2.33567e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64757e+04   -2.44515e+06    4.79018e+05   -1.96613e+06    2.32388e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10556e+02   -2.06765e+02   -8.81487e+00    5.63177e-06


DD  step 219604999 load imb.: force 17.8%  pme mesh/force 0.789
           Step           Time
      219605000   439210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98545e+03    1.93330e+04    1.32383e+04    1.13205e+03   -3.18737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82602e+03    9.28587e+04    4.03246e+05   -2.34389e+04   -2.98103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65425e+04   -2.44849e+06    4.79864e+05   -1.96863e+06    2.32393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11104e+02   -2.08221e+02    1.12766e+02    5.35117e-06


DD  step 219609999 load imb.: force 17.2%  pme mesh/force 0.767
           Step           Time
      219610000   439220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12932e+03    1.95403e+04    1.32386e+04    1.10778e+03   -2.95764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85609e+03    9.30817e+04    4.00448e+05   -2.33307e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65236e+04   -2.44498e+06    4.80540e+05   -1.96444e+06    2.32399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.06305e+02   -1.25661e+01    5.53169e-06


DD  step 219614999 load imb.: force 17.4%  pme mesh/force 0.813
           Step           Time
      219615000   439230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02743e+03    1.93889e+04    1.31284e+04    1.13701e+03   -3.02450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79684e+03    9.40217e+04    4.00803e+05   -2.33502e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64933e+04   -2.44695e+06    4.79651e+05   -1.96730e+06    2.32406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10966e+02   -2.06650e+02    1.71307e+01    5.48371e-06


DD  step 219619999 load imb.: force 18.2%  pme mesh/force 0.803
           Step           Time
      219620000   439240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76607e+03    1.93048e+04    1.30167e+04    1.13012e+03   -2.99419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.05652e+03    9.32505e+04    4.03642e+05   -2.33830e+04   -2.98022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66658e+04   -2.44676e+06    4.78058e+05   -1.96871e+06    2.32411e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09933e+02   -2.07230e+02    1.77004e+02    5.43062e-06


DD  step 219624999 load imb.: force 17.2%  pme mesh/force 0.770
           Step           Time
      219625000   439250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28087e+03    1.96201e+04    1.30316e+04    1.18785e+03   -3.09975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85327e+03    9.32279e+04    3.98696e+05   -2.34076e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63359e+04   -2.44651e+06    4.81680e+05   -1.96483e+06    2.32417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12282e+02   -2.07666e+02   -3.93600e+01    5.43912e-06


DD  step 219629999 load imb.: force 19.3%  pme mesh/force 0.804
           Step           Time
      219630000   439260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17370e+03    1.94648e+04    1.30062e+04    1.17681e+03   -2.99843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84461e+03    9.31416e+04    4.00340e+05   -2.33671e+04   -2.97925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66939e+04   -2.44878e+06    4.79165e+05   -1.96961e+06    2.32423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10651e+02   -2.06949e+02   -2.10779e+01    5.51333e-06


DD  step 219634999 load imb.: force 17.9%  pme mesh/force 0.803
           Step           Time
      219635000   439270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05935e+03    1.94662e+04    1.28196e+04    1.23917e+03   -3.12634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76965e+03    9.28949e+04    3.97734e+05   -2.33550e+04   -2.97227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64918e+04   -2.44527e+06    4.79133e+05   -1.96614e+06    2.32428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10631e+02   -2.06734e+02   -1.15733e+02    5.66976e-06


DD  step 219639999 load imb.: force 17.6%  pme mesh/force 0.788
           Step           Time
      219640000   439280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34740e+03    2.00022e+04    1.30358e+04    1.15346e+03   -3.10324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76537e+03    9.25057e+04    3.98490e+05   -2.33730e+04   -2.97317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63281e+04   -2.44502e+06    4.82329e+05   -1.96269e+06    2.32434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12703e+02   -2.07053e+02   -2.58157e+01    5.54992e-06


DD  step 219644999 load imb.: force 17.8%  pme mesh/force 0.792
           Step           Time
      219645000   439290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08124e+03    1.91495e+04    1.29769e+04    1.11004e+03   -3.02768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85003e+03    9.28173e+04    4.01771e+05   -2.34313e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64568e+04   -2.44690e+06    4.78064e+05   -1.96884e+06    2.32440e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09937e+02   -2.08086e+02    1.12428e+02    5.55689e-06


DD  step 219649999 load imb.: force 16.1%  pme mesh/force 0.772
           Step           Time
      219650000   439300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09466e+03    1.97655e+04    1.30634e+04    1.22387e+03   -3.06331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71881e+03    9.27164e+04    4.00245e+05   -2.33964e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67919e+04   -2.44729e+06    4.81103e+05   -1.96618e+06    2.32446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11908e+02   -2.07468e+02   -4.57869e+01    5.70586e-06


DD  step 219654999 load imb.: force 19.7%  pme mesh/force 0.783
           Step           Time
      219655000   439310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70100e+03    1.99976e+04    1.29478e+04    1.15727e+03   -3.14847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97899e+03    9.27549e+04    3.99037e+05   -2.34107e+04   -2.97521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65369e+04   -2.44666e+06    4.80257e+05   -1.96640e+06    2.32452e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11359e+02   -2.07721e+02    3.16071e-01    5.52949e-06


DD  step 219659999 load imb.: force 18.0%  pme mesh/force 0.759
           Step           Time
      219660000   439320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14518e+03    1.99381e+04    1.31515e+04    1.08982e+03   -3.10397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91425e+03    9.24502e+04    3.98404e+05   -2.33653e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63563e+04   -2.44717e+06    4.80041e+05   -1.96712e+06    2.32458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11219e+02   -2.06917e+02   -5.26675e+01    5.65366e-06


DD  step 219664999 load imb.: force 17.6%  pme mesh/force 0.802
           Step           Time
      219665000   439330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16392e+03    1.93584e+04    1.30443e+04    1.17317e+03   -3.16125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82903e+03    9.30919e+04    4.00478e+05   -2.33478e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63870e+04   -2.44924e+06    4.79745e+05   -1.96950e+06    2.32463e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11027e+02   -2.06607e+02   -8.60667e+01    5.41902e-06


DD  step 219669999 load imb.: force 21.1%  pme mesh/force 0.798
           Step           Time
      219670000   439340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85251e+03    1.95866e+04    1.30806e+04    1.16640e+03   -3.04432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72272e+03    9.31506e+04    4.03109e+05   -2.33719e+04   -2.97834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66599e+04   -2.44543e+06    4.77839e+05   -1.96759e+06    2.32469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09792e+02   -2.07033e+02    8.49942e+01    5.46994e-06


DD  step 219674999 load imb.: force 20.4%  pme mesh/force 0.804
           Step           Time
      219675000   439350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00924e+03    1.90991e+04    1.29845e+04    1.21965e+03   -3.12839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85064e+03    9.28977e+04    4.00191e+05   -2.33679e+04   -2.97532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65454e+04   -2.44602e+06    4.77524e+05   -1.96850e+06    2.32474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09587e+02   -2.06962e+02   -1.93692e+01    5.60317e-06


DD  step 219679999 load imb.: force 18.6%  pme mesh/force 0.813
           Step           Time
      219680000   439360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10335e+03    1.97339e+04    1.30180e+04    1.20652e+03   -3.06053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79608e+03    9.29261e+04    4.00838e+05   -2.33798e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65719e+04   -2.44574e+06    4.80791e+05   -1.96495e+06    2.32481e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11705e+02   -2.07174e+02    2.98367e+01    5.46599e-06


DD  step 219684999 load imb.: force 16.7%  pme mesh/force 0.771
           Step           Time
      219685000   439370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95931e+03    1.92617e+04    1.28198e+04    1.20149e+03   -3.07024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83270e+03    9.24178e+04    4.04376e+05   -2.33965e+04   -2.98326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64762e+04   -2.45038e+06    4.78783e+05   -1.97160e+06    2.32486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10404e+02   -2.07470e+02    1.12393e+02    5.52247e-06


DD  step 219689999 load imb.: force 17.3%  pme mesh/force 0.799
           Step           Time
      219690000   439380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15399e+03    1.95153e+04    1.31576e+04    1.15225e+03   -3.07244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68720e+03    9.32455e+04    3.98847e+05   -2.33433e+04   -2.97464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66286e+04   -2.44567e+06    4.79307e+05   -1.96636e+06    2.32492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.06528e+02   -7.35028e+01    5.62930e-06


DD  step 219694999 load imb.: force 17.6%  pme mesh/force 0.781
           Step           Time
      219695000   439390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70283e+03    1.94553e+04    1.30375e+04    1.17899e+03   -3.02016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90151e+03    9.27851e+04    4.00645e+05   -2.33616e+04   -2.97917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64645e+04   -2.44938e+06    4.79082e+05   -1.97029e+06    2.32497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10598e+02   -2.06851e+02   -1.00349e+01    5.64581e-06


DD  step 219699999 load imb.: force 18.9%  pme mesh/force 0.835
           Step           Time
      219700000   439400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86773e+03    1.95672e+04    1.30298e+04    1.16523e+03   -3.06524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84093e+03    9.28450e+04    4.01766e+05   -2.34097e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63390e+04   -2.44988e+06    4.79173e+05   -1.97070e+06    2.32504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10657e+02   -2.07702e+02    6.37990e+00    5.61516e-06


DD  step 219704999 load imb.: force 17.6%  pme mesh/force 0.808
           Step           Time
      219705000   439410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89802e+03    1.95522e+04    1.31986e+04    1.28062e+03   -3.14354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85290e+03    9.27891e+04    3.98218e+05   -2.33630e+04   -2.97282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64114e+04   -2.44512e+06    4.79051e+05   -1.96607e+06    2.32509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10578e+02   -2.06876e+02   -4.06385e+01    5.60504e-06


DD  step 219709999 load imb.: force 18.2%  pme mesh/force 0.802
           Step           Time
      219710000   439420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19123e+03    1.97089e+04    1.30208e+04    1.19872e+03   -3.12215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76323e+03    9.30356e+04    4.03695e+05   -2.33985e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66032e+04   -2.44615e+06    4.79986e+05   -1.96616e+06    2.32515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11184e+02   -2.07504e+02    1.31614e+02    5.48033e-06


DD  step 219714999 load imb.: force 17.1%  pme mesh/force 0.796
           Step           Time
      219715000   439430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93148e+03    1.98781e+04    1.30070e+04    1.29297e+03   -3.14204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81162e+03    9.32228e+04    4.01393e+05   -2.33570e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64586e+04   -2.44519e+06    4.80428e+05   -1.96477e+06    2.32521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11470e+02   -2.06769e+02    3.50489e+01    5.59303e-06


DD  step 219719999 load imb.: force 18.1%  pme mesh/force 0.809
           Step           Time
      219720000   439440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02360e+03    1.93437e+04    1.30102e+04    1.27361e+03   -3.08471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95749e+03    9.30685e+04    3.99555e+05   -2.33669e+04   -2.97424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66736e+04   -2.44479e+06    4.79368e+05   -1.96542e+06    2.32526e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10783e+02   -2.06945e+02   -2.32695e+01    5.56929e-06


DD  step 219724999 load imb.: force 17.4%  pme mesh/force 0.771
           Step           Time
      219725000   439450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78706e+03    1.97538e+04    1.30003e+04    1.20354e+03   -3.10648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88475e+03    9.24102e+04    3.99455e+05   -2.33411e+04   -2.97289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66766e+04   -2.44416e+06    4.78487e+05   -1.96568e+06    2.32533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.06488e+02    1.05904e+00    5.55640e-06


DD  step 219729999 load imb.: force 18.3%  pme mesh/force 0.777
           Step           Time
      219730000   439460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84607e+03    1.91205e+04    1.27426e+04    1.16756e+03   -2.98492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79784e+03    9.32102e+04    3.99125e+05   -2.34050e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62124e+04   -2.44990e+06    4.77468e+05   -1.97243e+06    2.32538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09551e+02   -2.07620e+02   -5.14502e+01    5.47890e-06


DD  step 219734999 load imb.: force 18.4%  pme mesh/force 0.792
           Step           Time
      219735000   439470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87150e+03    1.94591e+04    1.32030e+04    1.17728e+03   -2.96198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93828e+03    9.23348e+04    4.01869e+05   -2.34290e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63573e+04   -2.44676e+06    4.81160e+05   -1.96560e+06    2.32544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.08045e+02    7.11569e+01    5.56001e-06


DD  step 219739999 load imb.: force 17.1%  pme mesh/force 0.796
           Step           Time
      219740000   439480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71813e+03    1.92984e+04    1.28655e+04    1.17615e+03   -3.10049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87593e+03    9.32954e+04    4.00544e+05   -2.34099e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63836e+04   -2.44888e+06    4.80259e+05   -1.96862e+06    2.32550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.07706e+02   -6.65062e+00    5.56969e-06


DD  step 219744999 load imb.: force 18.1%  pme mesh/force 0.791
           Step           Time
      219745000   439490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03530e+03    1.97318e+04    1.30217e+04    1.19236e+03   -3.03097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82953e+03    9.27744e+04    4.00615e+05   -2.33719e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66836e+04   -2.44440e+06    4.79850e+05   -1.96455e+06    2.32556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11095e+02   -2.07034e+02    1.13287e+01    5.58915e-06


DD  step 219749999 load imb.: force 16.6%  pme mesh/force 0.764
           Step           Time
      219750000   439500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01788e+03    1.97283e+04    1.28682e+04    1.24313e+03   -3.06687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82226e+03    9.29407e+04    4.01114e+05   -2.33864e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64979e+04   -2.44820e+06    4.79293e+05   -1.96891e+06    2.32562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.07290e+02    4.42293e+01    5.40070e-06


DD  step 219754999 load imb.: force 17.9%  pme mesh/force 0.820
           Step           Time
      219755000   439510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05952e+03    1.95370e+04    1.31498e+04    1.14217e+03   -3.07597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83356e+03    9.27551e+04    4.01528e+05   -2.33509e+04   -2.97676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65731e+04   -2.44561e+06    4.80094e+05   -1.96552e+06    2.32567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11253e+02   -2.06662e+02    1.33682e+01    5.54492e-06


DD  step 219759999 load imb.: force 19.5%  pme mesh/force 0.809
           Step           Time
      219760000   439520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94434e+03    1.96724e+04    1.30815e+04    1.24227e+03   -3.13892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83230e+03    9.27127e+04    3.98317e+05   -2.33826e+04   -2.97362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65017e+04   -2.44584e+06    4.78918e+05   -1.96692e+06    2.32574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.07222e+02   -9.55357e+01    5.58130e-06


DD  step 219764999 load imb.: force 17.3%  pme mesh/force 0.787
           Step           Time
      219765000   439530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93424e+03    1.95790e+04    1.30840e+04    1.32233e+03   -3.06402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85047e+03    9.25476e+04    4.03436e+05   -2.33417e+04   -2.97968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65829e+04   -2.44675e+06    4.79551e+05   -1.96720e+06    2.32579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10902e+02   -2.06500e+02    7.15003e+01    5.56233e-06


DD  step 219769999 load imb.: force 18.1%  pme mesh/force 0.794
           Step           Time
      219770000   439540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96196e+03    1.94990e+04    1.31499e+04    1.14598e+03   -2.99567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91299e+03    9.30510e+04    4.02240e+05   -2.33663e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64725e+04   -2.44769e+06    4.84046e+05   -1.96364e+06    2.32584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13816e+02   -2.06935e+02    7.49460e+01    5.62193e-06


DD  step 219774999 load imb.: force 18.1%  pme mesh/force 0.813
           Step           Time
      219775000   439550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89801e+03    1.96404e+04    1.29287e+04    1.25575e+03   -3.15790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89478e+03    9.30240e+04    4.02721e+05   -2.33865e+04   -2.98050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65153e+04   -2.44817e+06    4.79302e+05   -1.96886e+06    2.32591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10740e+02   -2.07292e+02    8.64024e+01    5.55413e-06


DD  step 219779999 load imb.: force 20.3%  pme mesh/force 0.824
           Step           Time
      219780000   439560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02538e+03    1.90383e+04    1.29791e+04    1.19853e+03   -2.98335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94322e+03    9.33097e+04    3.99674e+05   -2.33733e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62936e+04   -2.44760e+06    4.77823e+05   -1.96978e+06    2.32596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09781e+02   -2.07059e+02   -5.25063e+01    5.53463e-06

Writing checkpoint, step 219783950 at Tue Nov  7 19:16:28 2023



DD  step 219784999 load imb.: force 19.4%  pme mesh/force 0.763
           Step           Time
      219785000   439570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25080e+03    1.99140e+04    1.29217e+04    1.20685e+03   -3.02877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89149e+03    9.31209e+04    3.97099e+05   -2.33825e+04   -2.97074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64734e+04   -2.44327e+06    4.80293e+05   -1.96298e+06    2.32602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.07222e+02   -8.24766e+01    5.44286e-06


DD  step 219789999 load imb.: force 20.2%  pme mesh/force 0.824
           Step           Time
      219790000   439580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95803e+03    1.99044e+04    1.29922e+04    1.15601e+03   -3.08907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83289e+03    9.28382e+04    3.96448e+05   -2.33234e+04   -2.97049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66237e+04   -2.44415e+06    4.81745e+05   -1.96240e+06    2.32608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12324e+02   -2.06176e+02   -6.42054e+01    5.56622e-06


DD  step 219794999 load imb.: force 19.6%  pme mesh/force 0.813
           Step           Time
      219795000   439590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98598e+03    1.93577e+04    1.31513e+04    1.18847e+03   -3.05694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90274e+03    9.32438e+04    3.99787e+05   -2.33946e+04   -2.97840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64556e+04   -2.44878e+06    4.79143e+05   -1.96964e+06    2.32614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10637e+02   -2.07435e+02    2.96226e+01    5.68939e-06


DD  step 219799999 load imb.: force 17.3%  pme mesh/force 0.770
           Step           Time
      219800000   439600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98548e+03    1.93626e+04    1.29781e+04    1.20533e+03   -3.11536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92821e+03    9.29505e+04    4.02155e+05   -2.34101e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67009e+04   -2.44691e+06    4.80615e+05   -1.96630e+06    2.32619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11591e+02   -2.07709e+02    4.87678e+01    5.65256e-06


DD  step 219804999 load imb.: force 19.5%  pme mesh/force 0.815
           Step           Time
      219805000   439610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57732e+03    1.93658e+04    1.30195e+04    1.22549e+03   -3.04241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90681e+03    9.26336e+04    4.01846e+05   -2.33386e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63723e+04   -2.44888e+06    4.80168e+05   -1.96872e+06    2.32624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11302e+02   -2.06445e+02    2.51867e+01    5.56431e-06


DD  step 219809999 load imb.: force 17.9%  pme mesh/force 0.795
           Step           Time
      219810000   439620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64971e+03    1.95398e+04    1.31189e+04    1.19361e+03   -3.16127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93582e+03    9.30140e+04    4.00875e+05   -2.33957e+04   -2.98042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64550e+04   -2.45020e+06    4.80727e+05   -1.96947e+06    2.32631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11664e+02   -2.07455e+02    5.74041e+01    5.59504e-06


DD  step 219814999 load imb.: force 15.5%  pme mesh/force 0.783
           Step           Time
      219815000   439630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28203e+03    1.93571e+04    1.31838e+04    1.21463e+03   -3.05798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81147e+03    9.30373e+04    4.00534e+05   -2.33884e+04   -2.97693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65404e+04   -2.44641e+06    4.81310e+05   -1.96510e+06    2.32637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12042e+02   -2.07326e+02   -2.73277e+01    5.62860e-06


DD  step 219819999 load imb.: force 17.0%  pme mesh/force 0.800
           Step           Time
      219820000   439640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16793e+03    1.95169e+04    1.31993e+04    1.22987e+03   -3.01201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87268e+03    9.28287e+04    3.96300e+05   -2.33981e+04   -2.97338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66092e+04   -2.44707e+06    4.80289e+05   -1.96678e+06    2.32643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.07497e+02   -1.06340e+02    5.47856e-06


DD  step 219824999 load imb.: force 17.5%  pme mesh/force 0.818
           Step           Time
      219825000   439650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10935e+03    1.93089e+04    1.31171e+04    1.29475e+03   -3.09500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90793e+03    9.31861e+04    4.00368e+05   -2.33332e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64442e+04   -2.44589e+06    4.77412e+05   -1.96847e+06    2.32648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09515e+02   -2.06350e+02   -3.94508e+01    5.58772e-06


DD  step 219829999 load imb.: force 18.2%  pme mesh/force 0.797
           Step           Time
      219830000   439660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91359e+03    1.97902e+04    1.30469e+04    1.15808e+03   -3.08036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88680e+03    9.29794e+04    3.97804e+05   -2.34027e+04   -2.97185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63133e+04   -2.44444e+06    4.79579e+05   -1.96486e+06    2.32654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.07579e+02   -3.84740e+01    5.47796e-06


DD  step 219834999 load imb.: force 16.9%  pme mesh/force 0.797
           Step           Time
      219835000   439670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97042e+03    1.93759e+04    1.32811e+04    1.26633e+03   -3.06648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87013e+03    9.34710e+04    4.03986e+05   -2.33703e+04   -2.98035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64645e+04   -2.44610e+06    4.81249e+05   -1.96485e+06    2.32660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12002e+02   -2.07004e+02    9.52039e+01    5.86600e-06


DD  step 219839999 load imb.: force 16.3%  pme mesh/force 0.747
           Step           Time
      219840000   439680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29133e+03    1.94066e+04    1.31675e+04    1.19874e+03   -3.00448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80958e+03    9.35481e+04    4.00832e+05   -2.33340e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66764e+04   -2.44395e+06    4.79965e+05   -1.96398e+06    2.32666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11170e+02   -2.06362e+02   -3.65649e+01    5.77944e-06


DD  step 219844999 load imb.: force 16.4%  pme mesh/force 0.795
           Step           Time
      219845000   439690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06474e+03    1.95442e+04    1.29955e+04    1.12490e+03   -3.03240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99338e+03    9.30934e+04    4.00871e+05   -2.34295e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64072e+04   -2.44737e+06    4.80130e+05   -1.96724e+06    2.32672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.08054e+02    5.55361e+01    5.54515e-06


DD  step 219849999 load imb.: force 20.6%  pme mesh/force 0.818
           Step           Time
      219850000   439700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18426e+03    1.93270e+04    1.29419e+04    1.25013e+03   -3.04661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83338e+03    9.33944e+04    4.00057e+05   -2.33829e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64530e+04   -2.44685e+06    4.77847e+05   -1.96900e+06    2.32678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09796e+02   -2.07228e+02   -4.08836e+01    5.63878e-06


DD  step 219854999 load imb.: force 17.7%  pme mesh/force 0.817
           Step           Time
      219855000   439710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15073e+03    1.93611e+04    1.31289e+04    1.18275e+03   -3.10456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72137e+03    9.29242e+04    3.99712e+05   -2.33976e+04   -2.97968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65322e+04   -2.45047e+06    4.79926e+05   -1.97054e+06    2.32683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11145e+02   -2.07489e+02   -8.54737e+01    5.72308e-06


DD  step 219859999 load imb.: force 17.9%  pme mesh/force 0.786
           Step           Time
      219860000   439720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13133e+03    1.98458e+04    1.30830e+04    1.19334e+03   -3.13162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86236e+03    9.30070e+04    3.99793e+05   -2.33884e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64144e+04   -2.44461e+06    4.79902e+05   -1.96471e+06    2.32689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11129e+02   -2.07326e+02    6.37360e-02    5.59102e-06


DD  step 219864999 load imb.: force 19.3%  pme mesh/force 0.824
           Step           Time
      219865000   439730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02941e+03    1.94487e+04    1.30953e+04    1.11158e+03   -3.05072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84515e+03    9.36173e+04    3.97572e+05   -2.33792e+04   -2.97194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65675e+04   -2.44409e+06    4.79453e+05   -1.96463e+06    2.32695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10838e+02   -2.07163e+02   -8.40843e+01    5.51280e-06


DD  step 219869999 load imb.: force 18.0%  pme mesh/force 0.769
           Step           Time
      219870000   439740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90960e+03    1.96778e+04    1.29433e+04    1.15515e+03   -2.96839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78438e+03    9.29061e+04    3.99766e+05   -2.33956e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65917e+04   -2.44683e+06    4.80780e+05   -1.96605e+06    2.32701e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11698e+02   -2.07453e+02    7.03348e+00    5.72669e-06


DD  step 219874999 load imb.: force 16.4%  pme mesh/force 0.779
           Step           Time
      219875000   439750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14013e+03    1.93634e+04    1.31126e+04    1.20370e+03   -3.11610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92233e+03    9.30294e+04    4.00763e+05   -2.33626e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65169e+04   -2.44747e+06    4.81400e+05   -1.96607e+06    2.32707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12100e+02   -2.06869e+02   -8.30286e+00    5.58592e-06


DD  step 219879999 load imb.: force 16.9%  pme mesh/force 0.774
           Step           Time
      219880000   439760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85973e+03    1.96135e+04    1.30578e+04    1.23743e+03   -3.11673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84589e+03    9.32963e+04    3.98233e+05   -2.33514e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64613e+04   -2.44655e+06    4.79190e+05   -1.96736e+06    2.32713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.06671e+02   -9.58383e+01    5.60663e-06


DD  step 219884999 load imb.: force 18.7%  pme mesh/force 0.831
           Step           Time
      219885000   439770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03679e+03    1.95662e+04    1.29988e+04    1.23334e+03   -3.09908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77428e+03    9.26917e+04    4.03358e+05   -2.33588e+04   -2.97979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65222e+04   -2.44707e+06    4.78641e+05   -1.96843e+06    2.32719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.06802e+02    9.07202e+01    5.65099e-06


DD  step 219889999 load imb.: force 18.5%  pme mesh/force 0.784
           Step           Time
      219890000   439780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84986e+03    1.96263e+04    1.30764e+04    1.18797e+03   -2.98585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89536e+03    9.27388e+04    3.99879e+05   -2.33700e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62594e+04   -2.44493e+06    4.77449e+05   -1.96748e+06    2.32724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09539e+02   -2.07001e+02    2.76493e+01    5.57733e-06


DD  step 219894999 load imb.: force 15.5%  pme mesh/force 0.738
           Step           Time
      219895000   439790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98713e+03    1.93527e+04    1.29786e+04    1.20411e+03   -3.02456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81120e+03    9.31335e+04    4.01720e+05   -2.34114e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62863e+04   -2.44906e+06    4.80600e+05   -1.96846e+06    2.32730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11581e+02   -2.07733e+02    1.06020e+00    5.66433e-06


DD  step 219899999 load imb.: force 15.7%  pme mesh/force 0.775
           Step           Time
      219900000   439800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14118e+03    1.93381e+04    1.32253e+04    1.25000e+03   -3.02698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88601e+03    9.28270e+04    3.99142e+05   -2.34009e+04   -2.97467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65297e+04   -2.44576e+06    4.80889e+05   -1.96487e+06    2.32735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11769e+02   -2.07547e+02    2.89035e+01    5.70550e-06


DD  step 219904999 load imb.: force 20.3%  pme mesh/force 0.800
           Step           Time
      219905000   439810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03408e+03    1.93342e+04    1.31919e+04    1.20262e+03   -3.20169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83937e+03    9.30499e+04    4.00752e+05   -2.33342e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64491e+04   -2.44785e+06    4.78944e+05   -1.96891e+06    2.32741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10508e+02   -2.06367e+02   -2.47449e+01    5.70294e-06


DD  step 219909999 load imb.: force 17.1%  pme mesh/force 0.786
           Step           Time
      219910000   439820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91467e+03    1.93252e+04    1.29717e+04    1.14083e+03   -3.16981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87041e+03    9.28979e+04    3.98993e+05   -2.33596e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65463e+04   -2.44657e+06    4.77281e+05   -1.96929e+06    2.32748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09430e+02   -2.06815e+02   -5.82480e+01    5.53927e-06


DD  step 219914999 load imb.: force 17.2%  pme mesh/force 0.782
           Step           Time
      219915000   439830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96559e+03    1.97654e+04    1.29536e+04    1.25740e+03   -3.02499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69411e+03    9.30625e+04    3.98244e+05   -2.33833e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64446e+04   -2.44668e+06    4.81684e+05   -1.96500e+06    2.32753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12284e+02   -2.07236e+02   -1.12349e+02    5.67450e-06


DD  step 219919999 load imb.: force 19.7%  pme mesh/force 0.786
           Step           Time
      219920000   439840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92447e+03    1.99111e+04    1.31041e+04    1.23826e+03   -3.07957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90405e+03    9.33647e+04    3.99474e+05   -2.33375e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64280e+04   -2.44568e+06    4.80355e+05   -1.96533e+06    2.32759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11423e+02   -2.06424e+02   -1.59483e+00    5.44416e-06


DD  step 219924999 load imb.: force 18.6%  pme mesh/force 0.797
           Step           Time
      219925000   439850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92075e+03    1.97824e+04    1.30625e+04    1.19229e+03   -3.14207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80423e+03    9.29722e+04    4.00708e+05   -2.33888e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65114e+04   -2.44745e+06    4.79313e+05   -1.96814e+06    2.32765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10747e+02   -2.07332e+02    3.88571e+01    5.67862e-06


DD  step 219929999 load imb.: force 19.7%  pme mesh/force 0.764
           Step           Time
      219930000   439860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88522e+03    1.93353e+04    1.31230e+04    1.21218e+03   -3.15482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74175e+03    9.32511e+04    4.01538e+05   -2.33577e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67019e+04   -2.44824e+06    4.78320e+05   -1.96992e+06    2.32771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10103e+02   -2.06783e+02   -3.09757e+01    5.67032e-06


DD  step 219934999 load imb.: force 18.2%  pme mesh/force 0.792
           Step           Time
      219935000   439870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88208e+03    1.95512e+04    1.30891e+04    1.16977e+03   -3.18716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82178e+03    9.31610e+04    4.02348e+05   -2.34070e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66344e+04   -2.44707e+06    4.78194e+05   -1.96888e+06    2.32777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10022e+02   -2.07654e+02    8.41197e+01    5.52843e-06


DD  step 219939999 load imb.: force 16.8%  pme mesh/force 0.786
           Step           Time
      219940000   439880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06898e+03    1.96183e+04    1.30750e+04    1.27530e+03   -3.09677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84093e+03    9.31164e+04    4.04255e+05   -2.33983e+04   -2.98145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65847e+04   -2.44711e+06    4.80315e+05   -1.96680e+06    2.32782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11397e+02   -2.07502e+02    1.19452e+02    5.68440e-06


DD  step 219944999 load imb.: force 18.7%  pme mesh/force 0.779
           Step           Time
      219945000   439890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10137e+03    1.91560e+04    1.30362e+04    1.20588e+03   -3.01723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85982e+03    9.26002e+04    3.98603e+05   -2.34100e+04   -2.97256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65909e+04   -2.44484e+06    4.79445e+05   -1.96539e+06    2.32788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.07709e+02    5.00396e+01    5.43128e-06


DD  step 219949999 load imb.: force 16.4%  pme mesh/force 0.755
           Step           Time
      219950000   439900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80499e+03    1.91873e+04    1.29537e+04    1.09001e+03   -3.07459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93238e+03    9.30242e+04    4.01501e+05   -2.34047e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64816e+04   -2.45022e+06    4.81078e+05   -1.96914e+06    2.32794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11891e+02   -2.07614e+02    4.08892e+01    5.59981e-06


DD  step 219954999 load imb.: force 17.7%  pme mesh/force 0.750
           Step           Time
      219955000   439910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84521e+03    1.94728e+04    1.31807e+04    1.20270e+03   -3.06681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76656e+03    9.32379e+04    4.01427e+05   -2.33900e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67440e+04   -2.44760e+06    4.77299e+05   -1.97030e+06    2.32800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09441e+02   -2.07355e+02    2.61960e+01    5.54838e-06


DD  step 219959999 load imb.: force 17.3%  pme mesh/force 0.750
           Step           Time
      219960000   439920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15872e+03    1.96096e+04    1.30830e+04    1.23189e+03   -3.08759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86395e+03    9.25699e+04    4.00521e+05   -2.33584e+04   -2.97314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67142e+04   -2.44284e+06    4.80260e+05   -1.96258e+06    2.32806e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11361e+02   -2.06794e+02    2.36000e+01    5.70174e-06


DD  step 219964999 load imb.: force 16.6%  pme mesh/force 0.764
           Step           Time
      219965000   439930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08186e+03    1.95093e+04    1.30097e+04    1.20117e+03   -3.10791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90563e+03    9.29419e+04    4.02726e+05   -2.33806e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64488e+04   -2.44757e+06    4.77288e+05   -1.97029e+06    2.32812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09434e+02   -2.07187e+02    5.24407e+01    5.58951e-06


DD  step 219969999 load imb.: force 15.8%  pme mesh/force 0.767
           Step           Time
      219970000   439940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33479e+03    1.96996e+04    1.31973e+04    1.14473e+03   -3.09042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75633e+03    9.31207e+04    4.00659e+05   -2.33687e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66118e+04   -2.44538e+06    4.81553e+05   -1.96383e+06    2.32818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12200e+02   -2.06976e+02    8.01195e+00    5.69273e-06


DD  step 219974999 load imb.: force 16.9%  pme mesh/force 0.772
           Step           Time
      219975000   439950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10068e+03    1.96525e+04    1.29424e+04    1.15889e+03   -2.95141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78557e+03    9.31149e+04    4.02831e+05   -2.33745e+04   -2.98065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64679e+04   -2.44792e+06    4.79021e+05   -1.96890e+06    2.32824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.07080e+02    9.68127e+00    5.41887e-06


DD  step 219979999 load imb.: force 15.7%  pme mesh/force 0.717
           Step           Time
      219980000   439960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25541e+03    1.90543e+04    1.28480e+04    1.17095e+03   -2.92849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76814e+03    9.28632e+04    4.00014e+05   -2.33944e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63611e+04   -2.44968e+06    4.79922e+05   -1.96976e+06    2.32829e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11142e+02   -2.07431e+02   -4.61739e+01    5.57183e-06


DD  step 219984999 load imb.: force 19.1%  pme mesh/force 0.749
           Step           Time
      219985000   439970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98459e+03    1.96993e+04    1.28939e+04    1.16932e+03   -3.02872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79799e+03    9.27733e+04    4.02109e+05   -2.33981e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64038e+04   -2.44829e+06    4.78545e+05   -1.96975e+06    2.32836e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.07497e+02    6.68401e+01    5.66499e-06


DD  step 219989999 load imb.: force 17.4%  pme mesh/force 0.794
           Step           Time
      219990000   439980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98915e+03    1.91934e+04    1.32020e+04    1.20684e+03   -2.96822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96702e+03    9.28901e+04    4.01633e+05   -2.33805e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66751e+04   -2.44531e+06    4.79807e+05   -1.96550e+06    2.32841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11067e+02   -2.07186e+02    7.96201e+01    5.68911e-06


DD  step 219994999 load imb.: force 15.8%  pme mesh/force 0.751
           Step           Time
      219995000   439990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20698e+03    1.98643e+04    1.30401e+04    1.12824e+03   -3.11807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74401e+03    9.30313e+04    4.00142e+05   -2.33741e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64080e+04   -2.44713e+06    4.79109e+05   -1.96802e+06    2.32847e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10615e+02   -2.07073e+02   -4.70437e+01    5.71867e-06


DD  step 219999999 load imb.: force 16.7%  pme mesh/force 0.763
           Step           Time
      220000000   440000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00367e+03    1.95680e+04    1.30670e+04    1.13065e+03   -3.02828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72562e+03    9.31209e+04    4.02387e+05   -2.33426e+04   -2.98067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64739e+04   -2.44857e+06    4.79190e+05   -1.96938e+06    2.32853e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.06515e+02   -3.43273e+01    5.59260e-06


DD  step 220004999 load imb.: force 17.9%  pme mesh/force 0.775
           Step           Time
      220005000   440010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94384e+03    1.93079e+04    1.29035e+04    1.08008e+03   -2.91737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97691e+03    9.32709e+04    4.02205e+05   -2.34193e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66156e+04   -2.44694e+06    4.79646e+05   -1.96729e+06    2.32858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10963e+02   -2.07873e+02    9.00402e+01    5.59007e-06


DD  step 220009999 load imb.: force 18.3%  pme mesh/force 0.779
           Step           Time
      220010000   440020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81005e+03    1.94095e+04    1.30604e+04    1.22189e+03   -3.08707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86667e+03    9.28995e+04    3.99311e+05   -2.33812e+04   -2.97378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63904e+04   -2.44528e+06    4.78296e+05   -1.96698e+06    2.32864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10088e+02   -2.07197e+02   -7.47852e+00    5.77731e-06


DD  step 220014999 load imb.: force 16.8%  pme mesh/force 0.739
           Step           Time
      220015000   440030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91126e+03    1.94566e+04    1.29963e+04    1.15910e+03   -2.94338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95879e+03    9.26753e+04    4.03668e+05   -2.33862e+04   -2.98233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67383e+04   -2.44910e+06    4.79988e+05   -1.96911e+06    2.32870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11185e+02   -2.07287e+02    5.93761e+01    5.55065e-06


DD  step 220019999 load imb.: force 16.9%  pme mesh/force 0.778
           Step           Time
      220020000   440040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20197e+03    1.94294e+04    1.30965e+04    1.21121e+03   -3.03884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82367e+03    9.30515e+04    3.98768e+05   -2.33749e+04   -2.97097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66163e+04   -2.44219e+06    4.80794e+05   -1.96140e+06    2.32876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11708e+02   -2.07087e+02    9.69887e+00    5.56442e-06


DD  step 220024999 load imb.: force 16.4%  pme mesh/force 0.757
           Step           Time
      220025000   440050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92385e+03    1.96242e+04    1.28629e+04    1.18160e+03   -2.99439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75450e+03    9.25315e+04    3.99291e+05   -2.34259e+04   -2.98029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62798e+04   -2.45226e+06    4.78475e+05   -1.97378e+06    2.32882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10204e+02   -2.07990e+02   -8.27179e+01    5.53795e-06


DD  step 220029999 load imb.: force 18.1%  pme mesh/force 0.774
           Step           Time
      220030000   440060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96316e+03    1.95630e+04    1.30647e+04    1.20731e+03   -3.16612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81364e+03    9.26098e+04    3.99454e+05   -2.34113e+04   -2.97539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65394e+04   -2.44675e+06    4.80218e+05   -1.96653e+06    2.32888e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11334e+02   -2.07731e+02   -2.10438e+01    5.65225e-06


DD  step 220034999 load imb.: force 16.6%  pme mesh/force 0.785
           Step           Time
      220035000   440070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78230e+03    1.93706e+04    1.29471e+04    1.18155e+03   -3.01063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78847e+03    9.30783e+04    4.00783e+05   -2.33948e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62608e+04   -2.44814e+06    4.79881e+05   -1.96826e+06    2.32893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11115e+02   -2.07439e+02    1.22860e+01    5.55267e-06


DD  step 220039999 load imb.: force 17.7%  pme mesh/force 0.784
           Step           Time
      220040000   440080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09891e+03    1.96028e+04    1.30548e+04    1.14985e+03   -2.99607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80786e+03    9.32153e+04    4.01560e+05   -2.33459e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64061e+04   -2.44471e+06    4.80927e+05   -1.96379e+06    2.32900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11794e+02   -2.06574e+02    3.41512e+01    5.60884e-06


DD  step 220044999 load imb.: force 16.7%  pme mesh/force 0.763
           Step           Time
      220045000   440090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89522e+03    1.91216e+04    1.28029e+04    1.21590e+03   -3.00427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84890e+03    9.29861e+04    4.02073e+05   -2.33865e+04   -2.98169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64869e+04   -2.45065e+06    4.79187e+05   -1.97147e+06    2.32905e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10665e+02   -2.07292e+02    3.10128e+01    5.51416e-06


DD  step 220049999 load imb.: force 16.2%  pme mesh/force 0.785
           Step           Time
      220050000   440100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06485e+03    1.93610e+04    1.29919e+04    1.26617e+03   -2.94214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85792e+03    9.35385e+04    3.97076e+05   -2.33472e+04   -2.97156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65521e+04   -2.44414e+06    4.79366e+05   -1.96477e+06    2.32911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10782e+02   -2.06596e+02   -1.29890e+02    5.56200e-06


DD  step 220054999 load imb.: force 15.1%  pme mesh/force 0.742
           Step           Time
      220055000   440110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84449e+03    1.93583e+04    1.29492e+04    1.20467e+03   -3.07975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83149e+03    9.32190e+04    3.97846e+05   -2.34179e+04   -2.97385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66703e+04   -2.44642e+06    4.80940e+05   -1.96548e+06    2.32916e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11802e+02   -2.07848e+02   -1.05506e+01    5.48733e-06


DD  step 220059999 load imb.: force 14.0%  pme mesh/force 0.753
           Step           Time
      220060000   440120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00050e+03    1.96181e+04    1.28317e+04    1.16066e+03   -2.99802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92235e+03    9.26199e+04    3.99104e+05   -2.33868e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64816e+04   -2.44657e+06    4.78585e+05   -1.96798e+06    2.32923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10275e+02   -2.07297e+02   -1.22693e+01    5.42269e-06


DD  step 220064999 load imb.: force 14.3%  pme mesh/force 0.732
           Step           Time
      220065000   440130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26983e+03    1.99517e+04    1.28711e+04    1.17236e+03   -2.95619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87913e+03    9.27775e+04    4.02490e+05   -2.33368e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64683e+04   -2.44585e+06    4.83338e+05   -1.96251e+06    2.32929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13357e+02   -2.06413e+02    5.79700e+01    5.53327e-06


DD  step 220069999 load imb.: force 15.0%  pme mesh/force 0.758
           Step           Time
      220070000   440140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84811e+03    1.94861e+04    1.30694e+04    1.24916e+03   -3.13665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86334e+03    9.32108e+04    4.00851e+05   -2.33852e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64854e+04   -2.44777e+06    4.79899e+05   -1.96787e+06    2.32934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11127e+02   -2.07270e+02    2.74313e+01    5.66990e-06


DD  step 220074999 load imb.: force 16.1%  pme mesh/force 0.742
           Step           Time
      220075000   440150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02841e+03    1.94966e+04    1.28997e+04    1.14061e+03   -2.98931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83948e+03    9.26970e+04    3.98739e+05   -2.34491e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66042e+04   -2.44723e+06    4.77241e+05   -1.96999e+06    2.32940e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09404e+02   -2.08402e+02   -8.46382e+00    5.48267e-06


DD  step 220079999 load imb.: force 16.4%  pme mesh/force 0.780
           Step           Time
      220080000   440160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06116e+03    1.93276e+04    1.28793e+04    1.25921e+03   -3.04157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86538e+03    9.31589e+04    3.99766e+05   -2.33725e+04   -2.97443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64863e+04   -2.44504e+06    4.79146e+05   -1.96589e+06    2.32946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.07044e+02   -2.43795e+01    5.64154e-06


DD  step 220084999 load imb.: force 16.7%  pme mesh/force 0.799
           Step           Time
      220085000   440170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22695e+03    1.92395e+04    1.30127e+04    1.18822e+03   -3.02100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78219e+03    9.24528e+04    3.97379e+05   -2.33778e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65068e+04   -2.44833e+06    4.81840e+05   -1.96649e+06    2.32951e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12385e+02   -2.07137e+02   -1.63005e+02    5.45470e-06


DD  step 220089999 load imb.: force 13.8%  pme mesh/force 0.736
           Step           Time
      220090000   440180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15552e+03    1.94678e+04    1.30428e+04    1.14782e+03   -2.92368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91917e+03    9.33915e+04    4.01440e+05   -2.34202e+04   -2.98149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64105e+04   -2.44986e+06    4.81577e+05   -1.96829e+06    2.32957e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12215e+02   -2.07888e+02    5.12616e+01    5.55894e-06


DD  step 220094999 load imb.: force 16.0%  pme mesh/force 0.786
           Step           Time
      220095000   440190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99750e+03    1.97913e+04    1.27382e+04    1.16223e+03   -3.07780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70415e+03    9.22764e+04    4.04437e+05   -2.33851e+04   -2.98274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64716e+04   -2.44962e+06    4.79551e+05   -1.97007e+06    2.32963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.07267e+02    7.15854e+01    5.51795e-06


DD  step 220099999 load imb.: force 18.1%  pme mesh/force 0.800
           Step           Time
      220100000   440200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75585e+03    1.93793e+04    1.30396e+04    1.17586e+03   -3.03277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90627e+03    9.30907e+04    4.00972e+05   -2.33994e+04   -2.98049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64570e+04   -2.45014e+06    4.77832e+05   -1.97231e+06    2.32969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09787e+02   -2.07521e+02   -1.51433e+00    5.46809e-06


DD  step 220104999 load imb.: force 16.5%  pme mesh/force 0.768
           Step           Time
      220105000   440210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11052e+03    1.95431e+04    1.27744e+04    1.14421e+03   -2.96868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82252e+03    9.25061e+04    3.99236e+05   -2.33367e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65122e+04   -2.44600e+06    4.78264e+05   -1.96773e+06    2.32975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10067e+02   -2.06412e+02   -4.68803e+01    5.64176e-06


DD  step 220109999 load imb.: force 14.1%  pme mesh/force 0.733
           Step           Time
      220110000   440220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19247e+03    1.93369e+04    1.30721e+04    1.14781e+03   -3.05066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84591e+03    9.28911e+04    3.99433e+05   -2.33616e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65765e+04   -2.44871e+06    4.79597e+05   -1.96911e+06    2.32981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.06851e+02   -4.29887e+01    5.79429e-06

Writing checkpoint, step 220113700 at Tue Nov  7 19:31:28 2023



DD  step 220114999 load imb.: force 14.8%  pme mesh/force 0.760
           Step           Time
      220115000   440230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96747e+03    1.94222e+04    1.28616e+04    1.20429e+03   -3.05311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79635e+03    9.35089e+04    4.02833e+05   -2.34197e+04   -2.98092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63668e+04   -2.44843e+06    4.80429e+05   -1.96800e+06    2.32986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11471e+02   -2.07880e+02    1.08881e+02    5.52503e-06


DD  step 220119999 load imb.: force 16.0%  pme mesh/force 0.789
           Step           Time
      220120000   440240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.48491e+03    1.89755e+04    1.28337e+04    1.17985e+03   -2.94893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76607e+03    9.32863e+04    3.98558e+05   -2.33666e+04   -2.97318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64758e+04   -2.44493e+06    4.77862e+05   -1.96707e+06    2.32992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09806e+02   -2.06940e+02   -9.85695e+01    5.45962e-06


DD  step 220124999 load imb.: force 16.9%  pme mesh/force 0.774
           Step           Time
      220125000   440250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88862e+03    1.93860e+04    1.31654e+04    1.26022e+03   -2.94925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82461e+03    9.31422e+04    3.97563e+05   -2.34130e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65142e+04   -2.44760e+06    4.79966e+05   -1.96763e+06    2.32998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.07761e+02   -4.57473e+01    5.55166e-06


DD  step 220129999 load imb.: force 17.5%  pme mesh/force 0.763
           Step           Time
      220130000   440260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72808e+03    1.93572e+04    1.30601e+04    1.17815e+03   -2.99593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.08559e+03    9.30573e+04    3.99481e+05   -2.33740e+04   -2.97519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66056e+04   -2.44600e+06    4.79007e+05   -1.96700e+06    2.33003e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10549e+02   -2.07071e+02    3.54995e+01    5.66297e-06


DD  step 220134999 load imb.: force 15.8%  pme mesh/force 0.746
           Step           Time
      220135000   440270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19514e+03    1.95909e+04    1.30399e+04    1.22179e+03   -2.99405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89469e+03    9.24034e+04    4.00169e+05   -2.34128e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63967e+04   -2.44746e+06    4.79987e+05   -1.96747e+06    2.33009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11184e+02   -2.07757e+02   -2.63280e+01    5.64827e-06


DD  step 220139999 load imb.: force 18.2%  pme mesh/force 0.765
           Step           Time
      220140000   440280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89753e+03    1.94802e+04    1.29874e+04    1.13240e+03   -3.01274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81511e+03    9.28820e+04    4.01382e+05   -2.33425e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65465e+04   -2.44584e+06    4.79992e+05   -1.96585e+06    2.33014e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11187e+02   -2.06513e+02    1.42781e+01    5.78771e-06


DD  step 220144999 load imb.: force 18.3%  pme mesh/force 0.775
           Step           Time
      220145000   440290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96035e+03    1.99539e+04    1.30937e+04    1.21090e+03   -3.02948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70912e+03    9.26810e+04    4.00330e+05   -2.33854e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64575e+04   -2.44839e+06    4.79350e+05   -1.96904e+06    2.33021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10771e+02   -2.07272e+02   -4.98174e+00    5.57663e-06


DD  step 220149999 load imb.: force 17.9%  pme mesh/force 0.781
           Step           Time
      220150000   440300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95380e+03    1.97919e+04    1.31922e+04    1.21383e+03   -3.01568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86390e+03    9.24565e+04    3.97378e+05   -2.33359e+04   -2.97151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64474e+04   -2.44456e+06    4.78118e+05   -1.96644e+06    2.33027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09972e+02   -2.06397e+02   -9.19629e+01    5.70115e-06


DD  step 220154999 load imb.: force 17.2%  pme mesh/force 0.761
           Step           Time
      220155000   440310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26129e+03    1.91137e+04    1.30748e+04    1.20024e+03   -3.00274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77977e+03    9.28448e+04    4.00365e+05   -2.34291e+04   -2.97853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65611e+04   -2.44877e+06    4.79644e+05   -1.96912e+06    2.33032e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10962e+02   -2.08046e+02   -1.83331e+01    5.60491e-06


DD  step 220159999 load imb.: force 17.0%  pme mesh/force 0.743
           Step           Time
      220160000   440320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67252e+03    1.94881e+04    1.30499e+04    1.12803e+03   -2.96020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85098e+03    9.29672e+04    3.99045e+05   -2.33668e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66093e+04   -2.44947e+06    4.78486e+05   -1.97098e+06    2.33038e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.06944e+02   -8.50735e+01    5.66721e-06


DD  step 220164999 load imb.: force 17.8%  pme mesh/force 0.744
           Step           Time
      220165000   440330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02863e+03    1.96566e+04    1.30749e+04    1.14441e+03   -2.99887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77602e+03    9.26957e+04    3.99709e+05   -2.34085e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65300e+04   -2.44712e+06    4.79749e+05   -1.96738e+06    2.33044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.07682e+02   -3.02401e+01    5.65950e-06


DD  step 220169999 load imb.: force 15.2%  pme mesh/force 0.718
           Step           Time
      220170000   440340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24658e+03    1.93124e+04    1.29826e+04    1.15812e+03   -2.88141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83019e+03    9.29135e+04    3.99866e+05   -2.33072e+04   -2.97414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67691e+04   -2.44426e+06    4.79191e+05   -1.96506e+06    2.33050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.05891e+02   -4.70529e+01    5.69010e-06


DD  step 220174999 load imb.: force 17.6%  pme mesh/force 0.752
           Step           Time
      220175000   440350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97026e+03    1.92690e+04    1.31681e+04    1.14560e+03   -3.00817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82066e+03    9.31068e+04    4.00816e+05   -2.34115e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67499e+04   -2.44743e+06    4.80835e+05   -1.96659e+06    2.33055e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11734e+02   -2.07734e+02    9.53468e+00    5.66774e-06


DD  step 220179999 load imb.: force 16.1%  pme mesh/force 0.758
           Step           Time
      220180000   440360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01914e+03    1.94007e+04    1.31367e+04    1.23526e+03   -3.05062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86262e+03    9.26638e+04    4.03967e+05   -2.33390e+04   -2.98133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66183e+04   -2.44781e+06    4.79708e+05   -1.96810e+06    2.33061e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11003e+02   -2.06452e+02    4.45644e+01    5.60577e-06


DD  step 220184999 load imb.: force 17.2%  pme mesh/force 0.780
           Step           Time
      220185000   440370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21581e+03    1.95760e+04    1.31106e+04    1.18648e+03   -3.09793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80137e+03    9.26260e+04    4.01022e+05   -2.33264e+04   -2.97234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67509e+04   -2.44148e+06    4.78804e+05   -1.96267e+06    2.33067e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10417e+02   -2.06230e+02    2.99724e+01    5.72235e-06


DD  step 220189999 load imb.: force 17.1%  pme mesh/force 0.755
           Step           Time
      220190000   440380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06208e+03    1.93961e+04    1.31123e+04    1.24033e+03   -3.08294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81818e+03    9.33554e+04    4.00176e+05   -2.33817e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62625e+04   -2.44778e+06    4.79273e+05   -1.96850e+06    2.33073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10721e+02   -2.07206e+02    3.93214e+00    5.71692e-06


DD  step 220194999 load imb.: force 16.9%  pme mesh/force 0.785
           Step           Time
      220195000   440390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83235e+03    1.96368e+04    1.30272e+04    1.18606e+03   -3.05435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87519e+03    9.29760e+04    4.00876e+05   -2.33368e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63984e+04   -2.44928e+06    4.80371e+05   -1.96891e+06    2.33079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.06413e+02   -2.11816e+01    5.70533e-06


DD  step 220199999 load imb.: force 14.8%  pme mesh/force 0.733
           Step           Time
      220200000   440400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06689e+03    1.92841e+04    1.31398e+04    1.19908e+03   -3.11653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88739e+03    9.31805e+04    4.02594e+05   -2.33744e+04   -2.97916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64375e+04   -2.44686e+06    4.78326e+05   -1.96854e+06    2.33085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10107e+02   -2.07078e+02    2.88629e+01    5.56258e-06


DD  step 220204999 load imb.: force 15.4%  pme mesh/force 0.750
           Step           Time
      220205000   440410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01582e+03    1.92192e+04    1.30753e+04    1.17413e+03   -2.95850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93194e+03    9.26167e+04    4.00931e+05   -2.33610e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65237e+04   -2.44737e+06    4.78749e+05   -1.96862e+06    2.33091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10382e+02   -2.06841e+02    1.81473e+00    5.59243e-06


DD  step 220209999 load imb.: force 16.1%  pme mesh/force 0.764
           Step           Time
      220210000   440420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64162e+03    1.92880e+04    1.30920e+04    1.06772e+03   -3.07610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89521e+03    9.38610e+04    4.00849e+05   -2.33900e+04   -2.97956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64350e+04   -2.44890e+06    4.80746e+05   -1.96815e+06    2.33096e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11676e+02   -2.07353e+02    3.62085e+01    5.76522e-06


DD  step 220214999 load imb.: force 18.6%  pme mesh/force 0.790
           Step           Time
      220215000   440430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99031e+03    1.96346e+04    1.29767e+04    1.19104e+03   -3.05621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85584e+03    9.27930e+04    3.99893e+05   -2.33544e+04   -2.97359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65393e+04   -2.44412e+06    4.79461e+05   -1.96466e+06    2.33103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.06724e+02    1.18707e+01    5.67016e-06


DD  step 220219999 load imb.: force 15.8%  pme mesh/force 0.742
           Step           Time
      220220000   440440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99342e+03    1.91944e+04    1.33030e+04    1.22266e+03   -3.05451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97833e+03    9.27986e+04    3.99341e+05   -2.34104e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63276e+04   -2.44853e+06    4.76328e+05   -1.97220e+06    2.33108e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08812e+02   -2.07715e+02    1.90379e+01    5.61632e-06


DD  step 220224999 load imb.: force 16.0%  pme mesh/force 0.772
           Step           Time
      220225000   440450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93167e+03    1.95818e+04    1.31826e+04    1.21586e+03   -3.02153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90641e+03    9.24144e+04    3.99330e+05   -2.33820e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65540e+04   -2.44617e+06    4.79399e+05   -1.96677e+06    2.33115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10803e+02   -2.07213e+02    1.81971e+01    5.66524e-06


DD  step 220229999 load imb.: force 15.9%  pme mesh/force 0.762
           Step           Time
      220230000   440460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18432e+03    1.95285e+04    1.31882e+04    1.12090e+03   -3.01401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80949e+03    9.23882e+04    3.99695e+05   -2.34116e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64764e+04   -2.44743e+06    4.80853e+05   -1.96657e+06    2.33120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11745e+02   -2.07736e+02   -3.71075e+01    5.57179e-06


DD  step 220234999 load imb.: force 18.4%  pme mesh/force 0.771
           Step           Time
      220235000   440470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90882e+03    1.93839e+04    1.30789e+04    1.11766e+03   -3.04431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82240e+03    9.28249e+04    4.01035e+05   -2.33617e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66888e+04   -2.44489e+06    4.79594e+05   -1.96530e+06    2.33126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.06852e+02    7.77565e+01    5.86749e-06


DD  step 220239999 load imb.: force 16.9%  pme mesh/force 0.758
           Step           Time
      220240000   440480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09343e+03    1.92888e+04    1.29716e+04    1.15672e+03   -3.17300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69633e+03    9.27445e+04    4.01607e+05   -2.33747e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66496e+04   -2.44713e+06    4.79905e+05   -1.96723e+06    2.33132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.07083e+02   -2.16773e+01    5.71987e-06


DD  step 220244999 load imb.: force 16.5%  pme mesh/force 0.767
           Step           Time
      220245000   440490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95272e+03    1.94087e+04    1.29113e+04    1.19992e+03   -2.97166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73361e+03    9.29032e+04    3.98902e+05   -2.33543e+04   -2.97399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63942e+04   -2.44591e+06    4.78849e+05   -1.96706e+06    2.33137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10447e+02   -2.06722e+02   -3.87379e+01    5.67233e-06


DD  step 220249999 load imb.: force 18.8%  pme mesh/force 0.800
           Step           Time
      220250000   440500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72703e+03    1.92857e+04    1.29814e+04    1.18895e+03   -2.96025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89293e+03    9.30106e+04    4.00976e+05   -2.33563e+04   -2.97731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63732e+04   -2.44719e+06    4.79630e+05   -1.96756e+06    2.33143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10953e+02   -2.06758e+02    1.15843e+01    5.72208e-06


DD  step 220254999 load imb.: force 15.6%  pme mesh/force 0.754
           Step           Time
      220255000   440510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05066e+03    1.94272e+04    1.31562e+04    1.16250e+03   -3.08130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84204e+03    9.27391e+04    4.01894e+05   -2.33987e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64038e+04   -2.44870e+06    4.78179e+05   -1.97053e+06    2.33150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10012e+02   -2.07507e+02    3.53242e+00    5.59962e-06


DD  step 220259999 load imb.: force 16.6%  pme mesh/force 0.768
           Step           Time
      220260000   440520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00837e+03    1.97727e+04    1.30474e+04    1.16420e+03   -3.01288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86826e+03    9.29127e+04    4.01842e+05   -2.33614e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64370e+04   -2.44590e+06    4.80308e+05   -1.96559e+06    2.33156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11392e+02   -2.06848e+02    2.12549e+01    5.74984e-06


DD  step 220264999 load imb.: force 17.6%  pme mesh/force 0.763
           Step           Time
      220265000   440530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99213e+03    1.93643e+04    1.28764e+04    1.10425e+03   -2.95742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87490e+03    9.26891e+04    3.97879e+05   -2.33522e+04   -2.97357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66637e+04   -2.44643e+06    4.80230e+05   -1.96620e+06    2.33161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.06684e+02   -7.74806e+01    5.66518e-06


DD  step 220269999 load imb.: force 18.8%  pme mesh/force 0.787
           Step           Time
      220270000   440540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94063e+03    1.94153e+04    1.29986e+04    1.14736e+03   -3.07300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88736e+03    9.27682e+04    3.99037e+05   -2.33680e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62667e+04   -2.44676e+06    4.80906e+05   -1.96585e+06    2.33167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11780e+02   -2.06965e+02   -4.10315e+01    5.72400e-06


DD  step 220274999 load imb.: force 17.5%  pme mesh/force 0.749
           Step           Time
      220275000   440550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17615e+03    1.93573e+04    1.32011e+04    1.12307e+03   -3.07162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86780e+03    9.27378e+04    3.98221e+05   -2.33859e+04   -2.97401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66554e+04   -2.44613e+06    4.78925e+05   -1.96720e+06    2.33173e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.07282e+02   -4.89713e+01    5.65664e-06


DD  step 220279999 load imb.: force 17.3%  pme mesh/force 0.773
           Step           Time
      220280000   440560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85929e+03    1.94764e+04    1.29341e+04    1.17321e+03   -2.93836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87392e+03    9.30708e+04    3.97996e+05   -2.33335e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66040e+04   -2.44895e+06    4.80249e+05   -1.96870e+06    2.33179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11354e+02   -2.06355e+02   -8.60085e+01    5.57123e-06


DD  step 220284999 load imb.: force 16.6%  pme mesh/force 0.776
           Step           Time
      220285000   440570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17780e+03    2.01181e+04    1.31993e+04    1.15735e+03   -2.97158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73754e+03    9.30693e+04    4.01729e+05   -2.33541e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65413e+04   -2.44387e+06    4.82688e+05   -1.96118e+06    2.33185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12935e+02   -2.06718e+02   -1.40433e+01    5.65172e-06


DD  step 220289999 load imb.: force 19.1%  pme mesh/force 0.790
           Step           Time
      220290000   440580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04288e+03    1.93142e+04    1.29174e+04    1.18364e+03   -3.02179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71025e+03    9.34790e+04    3.98911e+05   -2.33095e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65821e+04   -2.44729e+06    4.77301e+05   -1.96999e+06    2.33191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09443e+02   -2.05930e+02   -1.33956e+02    5.58166e-06


DD  step 220294999 load imb.: force 17.6%  pme mesh/force 0.796
           Step           Time
      220295000   440590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89144e+03    1.94700e+04    1.31208e+04    1.13174e+03   -2.97123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.04352e+03    9.29365e+04    4.00844e+05   -2.34322e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65138e+04   -2.44636e+06    4.80704e+05   -1.96566e+06    2.33196e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11649e+02   -2.08102e+02    1.01549e+02    5.64301e-06


DD  step 220299999 load imb.: force 17.0%  pme mesh/force 0.784
           Step           Time
      220300000   440600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22990e+03    1.92184e+04    1.29576e+04    1.12847e+03   -2.97846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90312e+03    9.31469e+04    4.01986e+05   -2.33933e+04   -2.98045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65118e+04   -2.44874e+06    4.78954e+05   -1.96979e+06    2.33203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10514e+02   -2.07413e+02   -3.21074e+00    5.63631e-06


DD  step 220304999 load imb.: force 16.6%  pme mesh/force 0.767
           Step           Time
      220305000   440610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95195e+03    1.94040e+04    1.31175e+04    1.07556e+03   -3.05910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95958e+03    9.36124e+04    3.97680e+05   -2.33345e+04   -2.97396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65230e+04   -2.44603e+06    4.78674e+05   -1.96735e+06    2.33208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10333e+02   -2.06373e+02   -7.88952e+01    5.54382e-06


DD  step 220309999 load imb.: force 18.2%  pme mesh/force 0.816
           Step           Time
      220310000   440620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00711e+03    1.93010e+04    1.29813e+04    1.14376e+03   -3.04071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71814e+03    9.38307e+04    4.01081e+05   -2.34041e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65084e+04   -2.44680e+06    4.79417e+05   -1.96738e+06    2.33214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10815e+02   -2.07604e+02    1.35119e+01    5.77594e-06


DD  step 220314999 load imb.: force 17.6%  pme mesh/force 0.793
           Step           Time
      220315000   440630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25941e+03    1.96570e+04    1.29963e+04    1.22693e+03   -3.05136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82539e+03    9.29469e+04    4.00327e+05   -2.33856e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66573e+04   -2.44456e+06    4.81189e+05   -1.96337e+06    2.33220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11963e+02   -2.07276e+02    1.00899e+01    5.68516e-06


DD  step 220319999 load imb.: force 16.8%  pme mesh/force 0.791
           Step           Time
      220320000   440640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80619e+03    1.94031e+04    1.30359e+04    1.15094e+03   -2.95684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93522e+03    9.29732e+04    4.01167e+05   -2.33687e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64482e+04   -2.44802e+06    4.79834e+05   -1.96818e+06    2.33226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11085e+02   -2.06977e+02    4.52272e+00    5.56818e-06


DD  step 220324999 load imb.: force 17.7%  pme mesh/force 0.792
           Step           Time
      220325000   440650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14377e+03    1.92579e+04    1.29971e+04    1.15705e+03   -3.01328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70283e+03    9.34425e+04    3.98901e+05   -2.33621e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64961e+04   -2.44734e+06    4.80116e+05   -1.96722e+06    2.33231e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.06860e+02   -9.65501e+01    5.74555e-06


DD  step 220329999 load imb.: force 16.9%  pme mesh/force 0.778
           Step           Time
      220330000   440660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04443e+03    1.91926e+04    1.32195e+04    1.17243e+03   -3.00701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92453e+03    9.37724e+04    3.98830e+05   -2.33769e+04   -2.97271e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65553e+04   -2.44338e+06    4.81317e+05   -1.96206e+06    2.33237e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12046e+02   -2.07122e+02   -2.52777e+01    5.83299e-06


DD  step 220334999 load imb.: force 17.8%  pme mesh/force 0.791
           Step           Time
      220335000   440670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94792e+03    1.95084e+04    1.30704e+04    1.16810e+03   -3.08682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84339e+03    9.26301e+04    4.01421e+05   -2.33776e+04   -2.97994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63963e+04   -2.44942e+06    4.79766e+05   -1.96965e+06    2.33243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.07135e+02    3.70003e+00    5.81016e-06


DD  step 220339999 load imb.: force 16.7%  pme mesh/force 0.805
           Step           Time
      220340000   440680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07471e+03    1.98910e+04    1.31684e+04    1.13661e+03   -3.09855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87320e+03    9.27014e+04    4.02934e+05   -2.33797e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66754e+04   -2.44513e+06    4.81172e+05   -1.96395e+06    2.33248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.07172e+02    9.15048e+01    5.52058e-06


DD  step 220344999 load imb.: force 17.6%  pme mesh/force 0.799
           Step           Time
      220345000   440690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07000e+03    1.95844e+04    1.32028e+04    1.19529e+03   -3.04518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82051e+03    9.24714e+04    4.00565e+05   -2.33486e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63776e+04   -2.44583e+06    4.78216e+05   -1.96761e+06    2.33254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10036e+02   -2.06621e+02   -8.78046e+00    5.69354e-06


DD  step 220349999 load imb.: force 15.6%  pme mesh/force 0.772
           Step           Time
      220350000   440700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86713e+03    1.94166e+04    1.29696e+04    1.15790e+03   -2.98902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89523e+03    9.26904e+04    3.99672e+05   -2.33907e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63191e+04   -2.44829e+06    4.77957e+05   -1.97033e+06    2.33260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09868e+02   -2.07365e+02   -1.77682e+01    5.59613e-06


DD  step 220354999 load imb.: force 17.9%  pme mesh/force 0.817
           Step           Time
      220355000   440710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24869e+03    1.95337e+04    1.30566e+04    1.14218e+03   -3.03260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91449e+03    9.25525e+04    4.00013e+05   -2.33300e+04   -2.97430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68317e+04   -2.44437e+06    4.79167e+05   -1.96521e+06    2.33266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10652e+02   -2.06293e+02   -7.29295e+01    5.85337e-06


DD  step 220359999 load imb.: force 15.8%  pme mesh/force 0.764
           Step           Time
      220360000   440720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10187e+03    1.89135e+04    1.29277e+04    1.20377e+03   -3.05302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85275e+03    9.31057e+04    4.00152e+05   -2.34150e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65098e+04   -2.44691e+06    4.78863e+05   -1.96805e+06    2.33272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10455e+02   -2.07798e+02    2.06981e+01    5.68662e-06


DD  step 220364999 load imb.: force 16.3%  pme mesh/force 0.782
           Step           Time
      220365000   440730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79104e+03    1.92541e+04    1.30408e+04    1.12638e+03   -3.01558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92075e+03    9.33135e+04    3.98528e+05   -2.33829e+04   -2.97313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64868e+04   -2.44507e+06    4.78662e+05   -1.96640e+06    2.33278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10325e+02   -2.07228e+02   -2.18306e+01    5.67267e-06


DD  step 220369999 load imb.: force 16.1%  pme mesh/force 0.762
           Step           Time
      220370000   440740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85401e+03    1.96524e+04    1.28964e+04    1.22614e+03   -3.02374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85661e+03    9.28458e+04    4.00482e+05   -2.33898e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62451e+04   -2.44985e+06    4.81297e+05   -1.96855e+06    2.33283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12033e+02   -2.07350e+02   -5.36680e+01    5.70456e-06


DD  step 220374999 load imb.: force 20.1%  pme mesh/force 0.802
           Step           Time
      220375000   440750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14086e+03    1.91497e+04    1.31305e+04    1.10531e+03   -3.00726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83692e+03    9.27988e+04    4.02943e+05   -2.34282e+04   -2.98063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67737e+04   -2.44819e+06    4.78997e+05   -1.96919e+06    2.33289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10542e+02   -2.08030e+02    1.01052e+02    5.53470e-06


DD  step 220379999 load imb.: force 18.4%  pme mesh/force 0.811
           Step           Time
      220380000   440760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03599e+03    1.94621e+04    1.31657e+04    1.33176e+03   -3.03271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75775e+03    9.26339e+04    4.00937e+05   -2.33448e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66124e+04   -2.44478e+06    4.78684e+05   -1.96609e+06    2.33295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.06554e+02    2.35158e+00    5.69782e-06


DD  step 220384999 load imb.: force 18.0%  pme mesh/force 0.767
           Step           Time
      220385000   440770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02909e+03    1.94220e+04    1.30422e+04    1.17496e+03   -3.03903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82071e+03    9.27479e+04    3.99581e+05   -2.33959e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64706e+04   -2.44598e+06    4.78949e+05   -1.96703e+06    2.33301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10511e+02   -2.07459e+02   -1.57194e+01    5.65707e-06


DD  step 220389999 load imb.: force 18.8%  pme mesh/force 0.797
           Step           Time
      220390000   440780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98864e+03    1.96290e+04    1.30159e+04    1.11059e+03   -3.04403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89197e+03    9.31123e+04    4.01092e+05   -2.34257e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65027e+04   -2.44696e+06    4.77082e+05   -1.96988e+06    2.33307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09301e+02   -2.07987e+02    4.18101e+01    5.64555e-06


DD  step 220394999 load imb.: force 18.8%  pme mesh/force 0.842
           Step           Time
      220395000   440790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10347e+03    1.94512e+04    1.29442e+04    1.22879e+03   -2.98508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88067e+03    9.29291e+04    3.99890e+05   -2.33792e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65212e+04   -2.44652e+06    4.80015e+05   -1.96651e+06    2.33312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11202e+02   -2.07163e+02    2.64069e+00    5.78840e-06


DD  step 220399999 load imb.: force 18.2%  pme mesh/force 0.828
           Step           Time
      220400000   440800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95808e+03    1.93735e+04    1.30605e+04    1.18769e+03   -3.08016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82864e+03    9.32289e+04    4.00858e+05   -2.33722e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62567e+04   -2.44756e+06    4.81450e+05   -1.96611e+06    2.33318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12132e+02   -2.07040e+02    2.12516e+01    5.63818e-06


DD  step 220404999 load imb.: force 16.4%  pme mesh/force 0.743
           Step           Time
      220405000   440810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04808e+03    1.97523e+04    1.30919e+04    1.19497e+03   -3.09332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95367e+03    9.23093e+04    4.00405e+05   -2.33974e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65308e+04   -2.44646e+06    4.79736e+05   -1.96672e+06    2.33324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.07485e+02    1.05416e+01    5.60601e-06


DD  step 220409999 load imb.: force 18.9%  pme mesh/force 0.803
           Step           Time
      220410000   440820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99461e+03    1.97528e+04    1.30168e+04    1.13237e+03   -2.96191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76169e+03    9.27749e+04    3.98413e+05   -2.33905e+04   -2.97076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64217e+04   -2.44284e+06    4.79983e+05   -1.96286e+06    2.33330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.07362e+02   -2.57428e+01    5.75262e-06


DD  step 220414999 load imb.: force 17.4%  pme mesh/force 0.793
           Step           Time
      220415000   440830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05778e+03    1.98770e+04    1.31080e+04    1.20875e+03   -2.97045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89208e+03    9.23880e+04    4.02131e+05   -2.33948e+04   -2.97525e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66044e+04   -2.44335e+06    4.79895e+05   -1.96345e+06    2.33336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11124e+02   -2.07439e+02    9.54459e+01    5.69326e-06


DD  step 220419999 load imb.: force 18.8%  pme mesh/force 0.802
           Step           Time
      220420000   440840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01084e+03    1.96197e+04    1.31059e+04    1.21450e+03   -3.08468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90957e+03    9.25647e+04    4.01322e+05   -2.34279e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63434e+04   -2.44665e+06    4.79525e+05   -1.96713e+06    2.33341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.08026e+02    9.47344e+01    5.64106e-06


DD  step 220424999 load imb.: force 17.6%  pme mesh/force 0.806
           Step           Time
      220425000   440850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21476e+03    1.92530e+04    1.29980e+04    1.15323e+03   -3.01317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81208e+03    9.31023e+04    4.01118e+05   -2.33477e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64439e+04   -2.44566e+06    4.80135e+05   -1.96552e+06    2.33347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11280e+02   -2.06605e+02    3.94439e+01    5.60540e-06


DD  step 220429999 load imb.: force 18.6%  pme mesh/force 0.797
           Step           Time
      220430000   440860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96300e+03    1.93173e+04    1.28866e+04    1.19636e+03   -2.94960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90147e+03    9.31415e+04    4.00504e+05   -2.34336e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62343e+04   -2.44698e+06    4.79733e+05   -1.96725e+06    2.33353e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.08126e+02    3.35315e+01    5.70709e-06


DD  step 220434999 load imb.: force 16.8%  pme mesh/force 0.768
           Step           Time
      220435000   440870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97565e+03    1.93462e+04    1.32748e+04    1.19339e+03   -3.06039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91052e+03    9.28387e+04    4.00127e+05   -2.33697e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64744e+04   -2.44619e+06    4.80437e+05   -1.96575e+06    2.33359e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11476e+02   -2.06995e+02   -1.40707e+01    5.52157e-06


DD  step 220439999 load imb.: force 21.7%  pme mesh/force 0.831
           Step           Time
      220440000   440880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14704e+03    1.92707e+04    1.31850e+04    1.15553e+03   -2.93111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93146e+03    9.23795e+04    4.02717e+05   -2.34332e+04   -2.98078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63026e+04   -2.44905e+06    4.79575e+05   -1.96948e+06    2.33364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.08120e+02    4.66746e+01    5.54620e-06

Writing checkpoint, step 220443150 at Tue Nov  7 19:46:28 2023



DD  step 220444999 load imb.: force 19.5%  pme mesh/force 0.792
           Step           Time
      220445000   440890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33501e+03    1.93752e+04    1.29724e+04    1.15152e+03   -3.06961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77163e+03    9.23661e+04    4.03036e+05   -2.33857e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63359e+04   -2.44797e+06    4.79041e+05   -1.96893e+06    2.33370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.07277e+02    1.05400e+01    5.58667e-06


DD  step 220449999 load imb.: force 18.8%  pme mesh/force 0.827
           Step           Time
      220450000   440900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34517e+03    1.92737e+04    1.30426e+04    1.20501e+03   -3.02620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68977e+03    9.24883e+04    3.99220e+05   -2.33907e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66240e+04   -2.44885e+06    4.81657e+05   -1.96720e+06    2.33375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12267e+02   -2.07367e+02   -6.85373e+01    5.70122e-06


DD  step 220454999 load imb.: force 15.6%  pme mesh/force 0.771
           Step           Time
      220455000   440910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01733e+03    1.93913e+04    1.31741e+04    1.16049e+03   -3.05710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87664e+03    9.23484e+04    4.03340e+05   -2.33800e+04   -2.98296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64094e+04   -2.45068e+06    4.78895e+05   -1.97179e+06    2.33382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10476e+02   -2.07176e+02    3.68937e+01    5.60814e-06


DD  step 220459999 load imb.: force 18.2%  pme mesh/force 0.817
           Step           Time
      220460000   440920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80681e+03    1.95151e+04    1.32031e+04    1.23342e+03   -3.05133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86527e+03    9.29576e+04    4.02770e+05   -2.34068e+04   -2.98251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62304e+04   -2.45039e+06    4.81065e+05   -1.96932e+06    2.33387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11883e+02   -2.07651e+02    6.07936e+01    5.69371e-06


DD  step 220464999 load imb.: force 18.7%  pme mesh/force 0.800
           Step           Time
      220465000   440930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77750e+03    1.92706e+04    1.29697e+04    1.28530e+03   -3.12661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93005e+03    9.30677e+04    3.99201e+05   -2.33648e+04   -2.97563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65831e+04   -2.44704e+06    4.78894e+05   -1.96815e+06    2.33393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.06907e+02    1.40959e+01    5.58450e-06


DD  step 220469999 load imb.: force 17.6%  pme mesh/force 0.816
           Step           Time
      220470000   440940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08618e+03    1.95399e+04    1.30063e+04    1.18739e+03   -3.05456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82312e+03    9.30017e+04    3.97949e+05   -2.33485e+04   -2.97033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63654e+04   -2.44277e+06    4.81398e+05   -1.96137e+06    2.33399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12099e+02   -2.06620e+02   -6.84979e+01    5.77883e-06


DD  step 220474999 load imb.: force 17.9%  pme mesh/force 0.795
           Step           Time
      220475000   440950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87185e+03    1.96600e+04    1.29488e+04    1.17917e+03   -3.04826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76647e+03    9.29316e+04    3.97786e+05   -2.33667e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65938e+04   -2.44840e+06    4.79685e+05   -1.96871e+06    2.33405e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10989e+02   -2.06942e+02   -7.76800e+01    5.52523e-06


DD  step 220479999 load imb.: force 18.7%  pme mesh/force 0.813
           Step           Time
      220480000   440960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01983e+03    1.96080e+04    1.29617e+04    1.17020e+03   -3.00616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01762e+03    9.29409e+04    3.98286e+05   -2.33699e+04   -2.97202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64279e+04   -2.44397e+06    4.80281e+05   -1.96369e+06    2.33411e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.06998e+02   -9.10794e+00    5.62153e-06


DD  step 220484999 load imb.: force 16.7%  pme mesh/force 0.772
           Step           Time
      220485000   440970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91095e+03    1.97377e+04    1.30353e+04    1.17489e+03   -3.06267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72015e+03    9.27718e+04    4.01835e+05   -2.34076e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65090e+04   -2.44755e+06    4.79487e+05   -1.96807e+06    2.33417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.07666e+02    5.91384e+01    5.48767e-06


DD  step 220489999 load imb.: force 18.1%  pme mesh/force 0.786
           Step           Time
      220490000   440980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99364e+03    1.91879e+04    1.33028e+04    1.13633e+03   -3.05591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78296e+03    9.29447e+04    4.00742e+05   -2.33853e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63464e+04   -2.44651e+06    4.79456e+05   -1.96705e+06    2.33423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10840e+02   -2.07272e+02    1.62285e+00    5.41810e-06


DD  step 220494999 load imb.: force 19.9%  pme mesh/force 0.789
           Step           Time
      220495000   440990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97777e+03    1.95419e+04    1.29010e+04    1.18757e+03   -3.02525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90904e+03    9.27832e+04    3.97734e+05   -2.34130e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62259e+04   -2.44824e+06    4.79501e+05   -1.96874e+06    2.33429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.07761e+02   -6.59387e+01    5.76060e-06


DD  step 220499999 load imb.: force 18.3%  pme mesh/force 0.822
           Step           Time
      220500000   441000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89757e+03    1.94211e+04    1.30288e+04    1.28505e+03   -3.11914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82911e+03    9.26219e+04    4.01205e+05   -2.33886e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62590e+04   -2.44805e+06    4.80414e+05   -1.96764e+06    2.33435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11461e+02   -2.07329e+02    3.05037e+01    5.47978e-06


DD  step 220504999 load imb.: force 19.4%  pme mesh/force 0.840
           Step           Time
      220505000   441010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97412e+03    1.97685e+04    1.28470e+04    1.15626e+03   -2.95607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90020e+03    9.25476e+04    4.00139e+05   -2.34250e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64779e+04   -2.44689e+06    4.80443e+05   -1.96645e+06    2.33441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11479e+02   -2.07974e+02    7.44567e+01    5.45188e-06


DD  step 220509999 load imb.: force 19.0%  pme mesh/force 0.804
           Step           Time
      220510000   441020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29665e+03    1.96033e+04    1.30850e+04    1.12512e+03   -3.04719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79352e+03    9.24015e+04    4.03080e+05   -2.34295e+04   -2.98233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62450e+04   -2.45018e+06    4.79738e+05   -1.97044e+06    2.33446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.08053e+02    1.41112e+01    5.51122e-06


DD  step 220514999 load imb.: force 18.3%  pme mesh/force 0.802
           Step           Time
      220515000   441030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94781e+03    1.93078e+04    1.30313e+04    1.17818e+03   -3.10219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78263e+03    9.28580e+04    4.01641e+05   -2.34409e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61382e+04   -2.44892e+06    4.81031e+05   -1.96789e+06    2.33452e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11861e+02   -2.08256e+02    7.33035e+01    5.52725e-06


DD  step 220519999 load imb.: force 17.6%  pme mesh/force 0.781
           Step           Time
      220520000   441040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87538e+03    1.90341e+04    1.31300e+04    1.22705e+03   -3.13322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94167e+03    9.33465e+04    4.00595e+05   -2.33705e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63900e+04   -2.44777e+06    4.80381e+05   -1.96739e+06    2.33458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11440e+02   -2.07008e+02   -2.88835e+01    5.47190e-06


DD  step 220524999 load imb.: force 16.9%  pme mesh/force 0.764
           Step           Time
      220525000   441050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06118e+03    1.92668e+04    1.29688e+04    1.29568e+03   -3.08683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90532e+03    9.29458e+04    4.00666e+05   -2.33622e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66598e+04   -2.44804e+06    4.80042e+05   -1.96800e+06    2.33464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.06861e+02    1.72952e+00    5.49594e-06


DD  step 220529999 load imb.: force 15.5%  pme mesh/force 0.725
           Step           Time
      220530000   441060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95406e+03    1.94518e+04    1.31361e+04    1.27812e+03   -2.97344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83615e+03    9.31614e+04    3.98690e+05   -2.33475e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63213e+04   -2.44673e+06    4.81358e+05   -1.96537e+06    2.33470e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12073e+02   -2.06602e+02   -8.44323e+01    5.55863e-06


DD  step 220534999 load imb.: force 18.2%  pme mesh/force 0.789
           Step           Time
      220535000   441070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23126e+03    1.98965e+04    1.29696e+04    1.20543e+03   -3.03351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85775e+03    9.24148e+04    4.01436e+05   -2.33842e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63588e+04   -2.44534e+06    4.79822e+05   -1.96552e+06    2.33475e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.07252e+02    5.40284e+01    5.59313e-06


DD  step 220539999 load imb.: force 16.8%  pme mesh/force 0.771
           Step           Time
      220540000   441080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29916e+03    1.98628e+04    1.29640e+04    1.17439e+03   -3.02109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77968e+03    9.29529e+04    4.01598e+05   -2.33702e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64061e+04   -2.44474e+06    4.80363e+05   -1.96438e+06    2.33482e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.07004e+02    2.88610e+01    5.60239e-06


DD  step 220544999 load imb.: force 16.8%  pme mesh/force 0.745
           Step           Time
      220545000   441090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13277e+03    1.93138e+04    1.30460e+04    1.18107e+03   -3.15555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79206e+03    9.26733e+04    4.01195e+05   -2.33762e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64942e+04   -2.44837e+06    4.80231e+05   -1.96814e+06    2.33487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11343e+02   -2.07110e+02   -1.77239e+01    5.58880e-06


DD  step 220549999 load imb.: force 17.0%  pme mesh/force 0.761
           Step           Time
      220550000   441100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91097e+03    1.90802e+04    1.30896e+04    1.21276e+03   -3.13856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96121e+03    9.32186e+04    3.99608e+05   -2.33770e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64124e+04   -2.44763e+06    4.80169e+05   -1.96746e+06    2.33492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11302e+02   -2.07124e+02    1.00169e+01    5.49379e-06


DD  step 220554999 load imb.: force 17.0%  pme mesh/force 0.800
           Step           Time
      220555000   441110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92195e+03    1.93792e+04    1.31365e+04    1.23308e+03   -3.13530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86733e+03    9.24781e+04    4.00463e+05   -2.33744e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63320e+04   -2.44999e+06    4.78797e+05   -1.97119e+06    2.33498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10413e+02   -2.07077e+02   -3.62003e+01    5.61448e-06


DD  step 220559999 load imb.: force 18.4%  pme mesh/force 0.780
           Step           Time
      220560000   441120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02236e+03    1.95262e+04    1.30022e+04    1.11635e+03   -3.07548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81604e+03    9.26538e+04    3.99418e+05   -2.34189e+04   -2.97593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63785e+04   -2.44750e+06    4.79631e+05   -1.96786e+06    2.33504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10953e+02   -2.07866e+02   -3.29599e+00    5.54852e-06


DD  step 220564999 load imb.: force 18.0%  pme mesh/force 0.815
           Step           Time
      220565000   441130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13651e+03    1.89725e+04    1.29108e+04    1.15326e+03   -3.03024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71164e+03    9.26546e+04    3.97117e+05   -2.33909e+04   -2.97233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63861e+04   -2.44670e+06    4.77025e+05   -1.96968e+06    2.33510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09264e+02   -2.07370e+02   -7.26642e+01    5.49304e-06


DD  step 220569999 load imb.: force 17.3%  pme mesh/force 0.762
           Step           Time
      220570000   441140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13727e+03    1.93835e+04    1.30644e+04    1.13421e+03   -3.16924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93024e+03    9.31665e+04    3.99251e+05   -2.33531e+04   -2.97427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66617e+04   -2.44506e+06    4.80729e+05   -1.96433e+06    2.33515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11665e+02   -2.06701e+02   -3.67368e+00    5.87802e-06


DD  step 220574999 load imb.: force 17.6%  pme mesh/force 0.777
           Step           Time
      220575000   441150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81548e+03    1.94360e+04    1.29885e+04    1.14116e+03   -3.04981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88591e+03    9.31910e+04    4.00486e+05   -2.33638e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67344e+04   -2.44659e+06    4.80215e+05   -1.96638e+06    2.33521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11332e+02   -2.06891e+02   -1.83934e+00    5.55948e-06


DD  step 220579999 load imb.: force 18.4%  pme mesh/force 0.793
           Step           Time
      220580000   441160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58956e+03    1.91683e+04    1.31225e+04    1.19874e+03   -3.02490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84555e+03    9.29336e+04    4.01528e+05   -2.33832e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65420e+04   -2.44831e+06    4.78099e+05   -1.97021e+06    2.33527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09960e+02   -2.07234e+02    8.89342e+00    5.58053e-06


DD  step 220584999 load imb.: force 17.4%  pme mesh/force 0.802
           Step           Time
      220585000   441170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91309e+03    1.95244e+04    1.31567e+04    1.16229e+03   -3.08126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94140e+03    9.33460e+04    4.01872e+05   -2.34162e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65388e+04   -2.44777e+06    4.79249e+05   -1.96852e+06    2.33533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10706e+02   -2.07819e+02    5.88562e+01    5.66690e-06


DD  step 220589999 load imb.: force 19.0%  pme mesh/force 0.786
           Step           Time
      220590000   441180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04102e+03    1.94511e+04    1.30346e+04    1.15291e+03   -3.03382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87262e+03    9.26362e+04    4.01346e+05   -2.34098e+04   -2.97896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65844e+04   -2.44828e+06    4.78843e+05   -1.96944e+06    2.33539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.07704e+02    3.78542e+01    5.52516e-06


DD  step 220594999 load imb.: force 19.7%  pme mesh/force 0.802
           Step           Time
      220595000   441190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86224e+03    1.95490e+04    1.29809e+04    1.25671e+03   -3.05053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96829e+03    9.31143e+04    3.98261e+05   -2.33557e+04   -2.97290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63780e+04   -2.44493e+06    4.81345e+05   -1.96359e+06    2.33545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.06747e+02   -2.71083e+01    5.51097e-06


DD  step 220599999 load imb.: force 19.3%  pme mesh/force 0.788
           Step           Time
      220600000   441200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03286e+03    1.91769e+04    1.30571e+04    1.21854e+03   -3.09811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89703e+03    9.28495e+04    4.00069e+05   -2.33637e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63732e+04   -2.44751e+06    4.78724e+05   -1.96879e+06    2.33551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10365e+02   -2.06888e+02   -1.06873e+01    5.61291e-06


DD  step 220604999 load imb.: force 18.3%  pme mesh/force 0.808
           Step           Time
      220605000   441210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11458e+03    1.94542e+04    1.29759e+04    1.17948e+03   -3.03975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85782e+03    9.28847e+04    3.99956e+05   -2.34089e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64142e+04   -2.44647e+06    4.78804e+05   -1.96767e+06    2.33557e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10417e+02   -2.07689e+02   -1.87733e+01    5.54737e-06


DD  step 220609999 load imb.: force 18.6%  pme mesh/force 0.799
           Step           Time
      220610000   441220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26784e+03    1.98635e+04    1.32906e+04    1.21201e+03   -3.16600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71905e+03    9.24919e+04    3.98670e+05   -2.33947e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64237e+04   -2.44734e+06    4.81170e+05   -1.96617e+06    2.33563e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11951e+02   -2.07437e+02   -7.52661e+01    5.59102e-06


DD  step 220614999 load imb.: force 18.3%  pme mesh/force 0.779
           Step           Time
      220615000   441230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.44435e+03    1.91455e+04    1.30269e+04    1.15405e+03   -3.05404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71259e+03    9.30112e+04    4.02052e+05   -2.34183e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66970e+04   -2.44690e+06    4.79871e+05   -1.96703e+06    2.33568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.07856e+02    2.75168e+01    5.52180e-06


DD  step 220619999 load imb.: force 16.5%  pme mesh/force 0.783
           Step           Time
      220620000   441240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01719e+03    1.94563e+04    1.31757e+04    1.22495e+03   -3.09472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94303e+03    9.25251e+04    3.98810e+05   -2.33808e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64305e+04   -2.44715e+06    4.77879e+05   -1.96927e+06    2.33574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09817e+02   -2.07192e+02   -3.59197e+01    5.66645e-06


DD  step 220624999 load imb.: force 16.1%  pme mesh/force 0.775
           Step           Time
      220625000   441250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20449e+03    1.87859e+04    1.30597e+04    1.17118e+03   -2.96793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80282e+03    9.33555e+04    3.98899e+05   -2.33736e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63977e+04   -2.44666e+06    4.80740e+05   -1.96592e+06    2.33579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11672e+02   -2.07064e+02   -5.49858e+01    5.61772e-06


DD  step 220629999 load imb.: force 17.9%  pme mesh/force 0.813
           Step           Time
      220630000   441260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97437e+03    1.95541e+04    1.31236e+04    1.23124e+03   -2.96906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81872e+03    9.26076e+04    3.97304e+05   -2.33801e+04   -2.97216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66426e+04   -2.44525e+06    4.80781e+05   -1.96447e+06    2.33585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11699e+02   -2.07178e+02   -7.39024e+01    5.55102e-06


DD  step 220634999 load imb.: force 17.6%  pme mesh/force 0.792
           Step           Time
      220635000   441270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06029e+03    1.95554e+04    1.31161e+04    1.23662e+03   -2.96048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82276e+03    9.26359e+04    4.00225e+05   -2.33570e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64873e+04   -2.44554e+06    4.79667e+05   -1.96588e+06    2.33591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10977e+02   -2.06769e+02   -6.45447e-01    5.60988e-06


DD  step 220639999 load imb.: force 15.9%  pme mesh/force 0.786
           Step           Time
      220640000   441280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01481e+03    1.95455e+04    1.31149e+04    1.16179e+03   -3.06292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77505e+03    9.28433e+04    4.02346e+05   -2.34268e+04   -2.98120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63374e+04   -2.44956e+06    4.80459e+05   -1.96910e+06    2.33597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11490e+02   -2.08007e+02    6.05554e+01    5.54531e-06


DD  step 220644999 load imb.: force 17.1%  pme mesh/force 0.818
           Step           Time
      220645000   441290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08438e+03    1.97506e+04    1.31048e+04    1.22904e+03   -3.01739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98972e+03    9.26852e+04    3.99308e+05   -2.33776e+04   -2.97321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63363e+04   -2.44412e+06    4.81254e+05   -1.96287e+06    2.33603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12006e+02   -2.07133e+02   -1.02424e+01    5.62927e-06


DD  step 220649999 load imb.: force 18.0%  pme mesh/force 0.805
           Step           Time
      220650000   441300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21114e+03    1.92310e+04    1.28380e+04    1.16716e+03   -3.01170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74495e+03    9.31944e+04    4.00630e+05   -2.34135e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63839e+04   -2.44707e+06    4.79768e+05   -1.96730e+06    2.33609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11042e+02   -2.07770e+02    3.13637e+01    5.34264e-06


DD  step 220654999 load imb.: force 19.4%  pme mesh/force 0.822
           Step           Time
      220655000   441310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93025e+03    1.90369e+04    1.28964e+04    1.21025e+03   -2.97009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79950e+03    9.30589e+04    3.97601e+05   -2.33561e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64865e+04   -2.44814e+06    4.79457e+05   -1.96868e+06    2.33614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10840e+02   -2.06754e+02   -1.08452e+02    5.45798e-06


DD  step 220659999 load imb.: force 18.9%  pme mesh/force 0.790
           Step           Time
      220660000   441320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88831e+03    1.91154e+04    1.29512e+04    1.16306e+03   -3.06345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99072e+03    9.25581e+04    4.02588e+05   -2.34119e+04   -2.98037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63788e+04   -2.44921e+06    4.80330e+05   -1.96888e+06    2.33620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11407e+02   -2.07742e+02    6.28078e+01    5.53474e-06


DD  step 220664999 load imb.: force 18.2%  pme mesh/force 0.781
           Step           Time
      220665000   441330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87398e+03    1.97062e+04    1.29168e+04    1.16018e+03   -3.14615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88927e+03    9.31159e+04    4.02375e+05   -2.34065e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63931e+04   -2.44649e+06    4.81578e+05   -1.96491e+06    2.33626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12216e+02   -2.07646e+02    1.36021e+02    5.64524e-06


DD  step 220669999 load imb.: force 19.1%  pme mesh/force 0.818
           Step           Time
      220670000   441340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11481e+03    1.98572e+04    1.30112e+04    1.19976e+03   -3.07293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78990e+03    9.26902e+04    4.00776e+05   -2.33750e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63817e+04   -2.44574e+06    4.81840e+05   -1.96390e+06    2.33632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12386e+02   -2.07087e+02    5.96255e+01    5.65498e-06


DD  step 220674999 load imb.: force 17.3%  pme mesh/force 0.777
           Step           Time
      220675000   441350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94164e+03    1.94504e+04    1.31658e+04    1.19880e+03   -2.90187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88131e+03    9.26861e+04    4.03328e+05   -2.34107e+04   -2.98242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64458e+04   -2.44963e+06    4.80991e+05   -1.96864e+06    2.33638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.07720e+02    5.32286e+01    5.30937e-06


DD  step 220679999 load imb.: force 19.7%  pme mesh/force 0.808
           Step           Time
      220680000   441360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02708e+03    1.95159e+04    1.29988e+04    1.15285e+03   -2.99833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79728e+03    9.26421e+04    3.98966e+05   -2.33534e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65773e+04   -2.44681e+06    4.81521e+05   -1.96529e+06    2.33644e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12179e+02   -2.06706e+02   -1.22294e+02    5.68140e-06


DD  step 220684999 load imb.: force 17.3%  pme mesh/force 0.778
           Step           Time
      220685000   441370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12249e+03    1.94843e+04    1.32294e+04    1.21986e+03   -3.06328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70480e+03    9.23420e+04    3.99830e+05   -2.34022e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65267e+04   -2.44726e+06    4.79576e+05   -1.96769e+06    2.33649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.07569e+02   -6.36835e+00    5.44981e-06


DD  step 220689999 load imb.: force 16.5%  pme mesh/force 0.801
           Step           Time
      220690000   441380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97762e+03    1.92781e+04    1.32702e+04    1.17167e+03   -3.05450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85200e+03    9.34151e+04    3.99443e+05   -2.33893e+04   -2.97295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66951e+04   -2.44329e+06    4.79858e+05   -1.96343e+06    2.33655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11100e+02   -2.07341e+02    1.17242e+01    5.56169e-06


DD  step 220694999 load imb.: force 17.6%  pme mesh/force 0.791
           Step           Time
      220695000   441390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28208e+03    1.96964e+04    1.33335e+04    1.20746e+03   -3.00004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76670e+03    9.24836e+04    4.00661e+05   -2.34110e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64189e+04   -2.44518e+06    4.79181e+05   -1.96600e+06    2.33661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10662e+02   -2.07725e+02   -3.69273e+00    5.50816e-06


DD  step 220699999 load imb.: force 16.9%  pme mesh/force 0.801
           Step           Time
      220700000   441400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93977e+03    1.97448e+04    1.28649e+04    1.12100e+03   -3.04093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72963e+03    9.27078e+04    4.03196e+05   -2.33450e+04   -2.98108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64675e+04   -2.44870e+06    4.78256e+05   -1.97044e+06    2.33667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10062e+02   -2.06557e+02   -7.45789e-01    5.47979e-06


DD  step 220704999 load imb.: force 19.6%  pme mesh/force 0.800
           Step           Time
      220705000   441410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08634e+03    1.97337e+04    1.30171e+04    1.22953e+03   -2.99977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90381e+03    9.29805e+04    3.99532e+05   -2.34328e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66916e+04   -2.44603e+06    4.79915e+05   -1.96611e+06    2.33673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11137e+02   -2.08112e+02    2.46456e+01    5.58837e-06


DD  step 220709999 load imb.: force 18.5%  pme mesh/force 0.794
           Step           Time
      220710000   441420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95144e+03    1.97241e+04    1.28270e+04    1.24367e+03   -3.06777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85011e+03    9.26817e+04    4.00354e+05   -2.33609e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66459e+04   -2.44664e+06    4.79778e+05   -1.96686e+06    2.33679e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11049e+02   -2.06839e+02   -4.00633e+01    5.70587e-06


DD  step 220714999 load imb.: force 17.6%  pme mesh/force 0.814
           Step           Time
      220715000   441430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95096e+03    1.97293e+04    1.29229e+04    1.21188e+03   -3.01420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77493e+03    9.23654e+04    4.02698e+05   -2.33972e+04   -2.98015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64741e+04   -2.44843e+06    4.80214e+05   -1.96822e+06    2.33685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11331e+02   -2.07482e+02    4.71145e+01    5.63899e-06


DD  step 220719999 load imb.: force 19.3%  pme mesh/force 0.824
           Step           Time
      220720000   441440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75837e+03    1.93096e+04    1.32678e+04    1.12125e+03   -3.00627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82020e+03    9.29513e+04    3.97481e+05   -2.33618e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67903e+04   -2.44917e+06    4.80383e+05   -1.96879e+06    2.33690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11441e+02   -2.06856e+02   -1.10360e+02    5.42121e-06


DD  step 220724999 load imb.: force 17.7%  pme mesh/force 0.808
           Step           Time
      220725000   441450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03931e+03    1.92375e+04    1.29534e+04    1.19019e+03   -3.05755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83999e+03    9.32153e+04    3.98539e+05   -2.33665e+04   -2.97307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65376e+04   -2.44494e+06    4.81714e+05   -1.96323e+06    2.33696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12304e+02   -2.06938e+02   -3.62772e+01    5.59580e-06


DD  step 220729999 load imb.: force 19.3%  pme mesh/force 0.805
           Step           Time
      220730000   441460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98235e+03    1.93755e+04    1.30698e+04    1.20843e+03   -3.02042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85134e+03    9.30591e+04    3.99761e+05   -2.33129e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63491e+04   -2.44813e+06    4.79907e+05   -1.96823e+06    2.33702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.05991e+02   -4.10162e+01    5.49862e-06


DD  step 220734999 load imb.: force 18.6%  pme mesh/force 0.797
           Step           Time
      220735000   441470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05567e+03    1.92594e+04    1.31323e+04    1.21825e+03   -3.09724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78671e+03    9.30061e+04    4.02169e+05   -2.33794e+04   -2.98032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64700e+04   -2.44870e+06    4.81865e+05   -1.96684e+06    2.33708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12402e+02   -2.07166e+02    1.99290e+01    5.65817e-06


DD  step 220739999 load imb.: force 19.7%  pme mesh/force 0.803
           Step           Time
      220740000   441480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13212e+03    1.97251e+04    1.31257e+04    1.22264e+03   -3.08516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62303e+03    9.26675e+04    3.99936e+05   -2.33356e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63778e+04   -2.44549e+06    4.79027e+05   -1.96646e+06    2.33714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10562e+02   -2.06392e+02   -1.04393e+02    5.59582e-06


DD  step 220744999 load imb.: force 15.2%  pme mesh/force 0.760
           Step           Time
      220745000   441490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89162e+03    1.98848e+04    1.30241e+04    1.14489e+03   -3.05061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82616e+03    9.26642e+04    4.01808e+05   -2.33923e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66734e+04   -2.44666e+06    4.81276e+05   -1.96539e+06    2.33719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12020e+02   -2.07394e+02    4.70174e+01    5.62730e-06


DD  step 220749999 load imb.: force 17.9%  pme mesh/force 0.777
           Step           Time
      220750000   441500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98727e+03    1.94206e+04    1.29742e+04    1.19137e+03   -3.03633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83871e+03    9.29463e+04    4.00214e+05   -2.34256e+04   -2.97965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65184e+04   -2.45002e+06    4.79431e+05   -1.97059e+06    2.33725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10824e+02   -2.07985e+02   -4.00889e+01    5.64352e-06


DD  step 220754999 load imb.: force 18.2%  pme mesh/force 0.791
           Step           Time
      220755000   441510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86879e+03    1.94501e+04    1.29301e+04    1.22475e+03   -2.90781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90180e+03    9.28441e+04    4.00039e+05   -2.33686e+04   -2.97443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66653e+04   -2.44478e+06    4.79078e+05   -1.96570e+06    2.33731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10595e+02   -2.06976e+02    2.51187e+01    5.64690e-06


DD  step 220759999 load imb.: force 16.7%  pme mesh/force 0.767
           Step           Time
      220760000   441520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16002e+03    1.93324e+04    1.30546e+04    1.16461e+03   -3.02012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93036e+03    9.30986e+04    4.01177e+05   -2.34073e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65972e+04   -2.44974e+06    4.78882e+05   -1.97085e+06    2.33737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.07661e+02    1.70157e+01    5.61882e-06


DD  step 220764999 load imb.: force 16.2%  pme mesh/force 0.762
           Step           Time
      220765000   441530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32773e+03    1.94949e+04    1.30562e+04    1.22366e+03   -3.02120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78007e+03    9.30576e+04    4.01539e+05   -2.33792e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66096e+04   -2.44467e+06    4.79776e+05   -1.96489e+06    2.33743e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.07163e+02    4.64489e+01    5.72374e-06


DD  step 220769999 load imb.: force 18.5%  pme mesh/force 0.817
           Step           Time
      220770000   441540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90576e+03    1.95031e+04    1.30994e+04    1.13073e+03   -3.19695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90481e+03    9.28096e+04    3.99273e+05   -2.33760e+04   -2.97437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67596e+04   -2.44555e+06    4.78749e+05   -1.96680e+06    2.33748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.07106e+02   -5.11186e+01    5.60241e-06

Writing checkpoint, step 220770800 at Tue Nov  7 20:01:28 2023



DD  step 220774999 load imb.: force 16.3%  pme mesh/force 0.781
           Step           Time
      220775000   441550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93817e+03    1.93451e+04    1.30868e+04    1.21234e+03   -3.04038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90234e+03    9.31169e+04    4.02512e+05   -2.33579e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65491e+04   -2.44623e+06    4.81151e+05   -1.96508e+06    2.33754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11939e+02   -2.06785e+02    7.17854e+01    5.66448e-06


DD  step 220779999 load imb.: force 18.0%  pme mesh/force 0.801
           Step           Time
      220780000   441560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03396e+03    1.93186e+04    1.31989e+04    1.15132e+03   -3.07738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84669e+03    9.25985e+04    4.01773e+05   -2.33293e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65913e+04   -2.44725e+06    4.80588e+05   -1.96666e+06    2.33760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11574e+02   -2.06280e+02    1.38893e+01    5.50744e-06


DD  step 220784999 load imb.: force 16.3%  pme mesh/force 0.787
           Step           Time
      220785000   441570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03203e+03    1.95939e+04    1.30310e+04    1.29451e+03   -3.11802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85671e+03    9.31619e+04    3.97868e+05   -2.33821e+04   -2.97437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63990e+04   -2.44663e+06    4.79332e+05   -1.96730e+06    2.33765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.07214e+02   -9.32492e+01    5.73412e-06


DD  step 220789999 load imb.: force 16.8%  pme mesh/force 0.803
           Step           Time
      220790000   441580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97298e+03    1.93992e+04    1.31457e+04    1.27811e+03   -3.04531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91021e+03    9.24093e+04    4.02224e+05   -2.34018e+04   -2.97904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64399e+04   -2.44771e+06    4.78374e+05   -1.96934e+06    2.33771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10138e+02   -2.07563e+02    5.57937e+01    5.62762e-06


DD  step 220794999 load imb.: force 18.6%  pme mesh/force 0.793
           Step           Time
      220795000   441590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16970e+03    1.95989e+04    1.31454e+04    1.22869e+03   -3.04225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78046e+03    9.22591e+04    4.02084e+05   -2.33976e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64227e+04   -2.44786e+06    4.79510e+05   -1.96835e+06    2.33777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.07488e+02    5.95242e+01    5.51195e-06


DD  step 220799999 load imb.: force 16.1%  pme mesh/force 0.770
           Step           Time
      220800000   441600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11421e+03    1.95068e+04    1.29652e+04    1.19276e+03   -3.03429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82232e+03    9.29902e+04    4.01415e+05   -2.34124e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65478e+04   -2.44624e+06    4.80837e+05   -1.96540e+06    2.33783e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.07750e+02    2.54288e+01    5.84904e-06


DD  step 220804999 load imb.: force 19.0%  pme mesh/force 0.788
           Step           Time
      220805000   441610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05380e+03    1.92993e+04    1.29174e+04    1.19142e+03   -2.96624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80419e+03    9.31534e+04    4.00095e+05   -2.33611e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65400e+04   -2.44716e+06    4.78407e+05   -1.96875e+06    2.33789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10160e+02   -2.06842e+02    2.46465e+01    5.50337e-06


DD  step 220809999 load imb.: force 19.5%  pme mesh/force 0.776
           Step           Time
      220810000   441620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90491e+03    1.97552e+04    1.29666e+04    1.16001e+03   -3.01477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89850e+03    9.26672e+04    3.97578e+05   -2.33288e+04   -2.97006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67275e+04   -2.44274e+06    4.79508e+05   -1.96324e+06    2.33794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10874e+02   -2.06271e+02   -9.30905e+00    5.81471e-06


DD  step 220814999 load imb.: force 21.5%  pme mesh/force 0.810
           Step           Time
      220815000   441630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13695e+03    1.94936e+04    1.30082e+04    1.22300e+03   -3.01118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85543e+03    9.25903e+04    4.04442e+05   -2.34087e+04   -2.98244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65243e+04   -2.44858e+06    4.78522e+05   -1.97006e+06    2.33800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.07685e+02    1.02323e+02    5.71132e-06


DD  step 220819999 load imb.: force 17.8%  pme mesh/force 0.769
           Step           Time
      220820000   441640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91787e+03    1.96463e+04    1.29187e+04    1.12564e+03   -2.95842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98476e+03    9.32585e+04    4.01194e+05   -2.33797e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66334e+04   -2.44578e+06    4.79023e+05   -1.96676e+06    2.33806e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10559e+02   -2.07171e+02    4.48780e+01    5.77135e-06


DD  step 220824999 load imb.: force 18.2%  pme mesh/force 0.804
           Step           Time
      220825000   441650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17781e+03    1.92322e+04    1.29171e+04    1.27789e+03   -3.07468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76259e+03    9.33790e+04    4.02405e+05   -2.34041e+04   -2.98177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65155e+04   -2.44958e+06    4.79791e+05   -1.96979e+06    2.33812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.07603e+02    3.42948e+01    5.50833e-06


DD  step 220829999 load imb.: force 19.1%  pme mesh/force 0.799
           Step           Time
      220830000   441660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94931e+03    1.93890e+04    1.31415e+04    1.18822e+03   -3.12188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84765e+03    9.23599e+04    3.99897e+05   -2.33793e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63748e+04   -2.44891e+06    4.80607e+05   -1.96830e+06    2.33817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.07164e+02   -3.64197e+01    5.72560e-06


DD  step 220834999 load imb.: force 18.1%  pme mesh/force 0.780
           Step           Time
      220835000   441670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95796e+03    1.94208e+04    1.29235e+04    1.17663e+03   -3.08376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02228e+03    9.27550e+04    4.00889e+05   -2.33668e+04   -2.97925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66284e+04   -2.44893e+06    4.79286e+05   -1.96964e+06    2.33823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10730e+02   -2.06943e+02    3.89353e+01    5.54297e-06


DD  step 220839999 load imb.: force 19.3%  pme mesh/force 0.794
           Step           Time
      220840000   441680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96559e+03    1.94895e+04    1.31657e+04    1.29648e+03   -2.88362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81884e+03    9.22711e+04    4.00872e+05   -2.33507e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66287e+04   -2.44706e+06    4.77488e+05   -1.96957e+06    2.33829e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09564e+02   -2.06659e+02   -4.43011e+01    5.57689e-06


DD  step 220844999 load imb.: force 17.5%  pme mesh/force 0.779
           Step           Time
      220845000   441690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88221e+03    1.97460e+04    1.29975e+04    1.26101e+03   -2.94935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87368e+03    9.22785e+04    3.99787e+05   -2.33564e+04   -2.97159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65749e+04   -2.44249e+06    4.79945e+05   -1.96255e+06    2.33835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11157e+02   -2.06760e+02    2.06905e+01    5.57755e-06


DD  step 220849999 load imb.: force 18.6%  pme mesh/force 0.838
           Step           Time
      220850000   441700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22446e+03    1.95840e+04    1.29215e+04    1.22436e+03   -2.98803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84431e+03    9.21181e+04    4.02711e+05   -2.33685e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67923e+04   -2.44673e+06    4.77405e+05   -1.96932e+06    2.33841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09510e+02   -2.06974e+02    4.26910e+01    5.55848e-06


DD  step 220854999 load imb.: force 18.1%  pme mesh/force 0.763
           Step           Time
      220855000   441710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22203e+03    1.93804e+04    1.31241e+04    1.11696e+03   -3.07683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82149e+03    9.26869e+04    3.98479e+05   -2.33188e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64967e+04   -2.44788e+06    4.78459e+05   -1.96943e+06    2.33846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10193e+02   -2.06094e+02   -9.43257e+01    5.41308e-06


DD  step 220859999 load imb.: force 18.7%  pme mesh/force 0.794
           Step           Time
      220860000   441720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33078e+03    1.91211e+04    1.31229e+04    1.18320e+03   -3.01741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90540e+03    9.25809e+04    4.00005e+05   -2.33738e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63393e+04   -2.44574e+06    4.80470e+05   -1.96527e+06    2.33852e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11498e+02   -2.07068e+02   -4.49777e+01    5.69966e-06


DD  step 220864999 load imb.: force 16.7%  pme mesh/force 0.755
           Step           Time
      220865000   441730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11323e+03    1.91226e+04    1.31716e+04    1.18706e+03   -3.12384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90414e+03    9.25014e+04    3.98790e+05   -2.33575e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67494e+04   -2.44788e+06    4.79835e+05   -1.96804e+06    2.33858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11085e+02   -2.06778e+02   -5.80946e+01    5.48933e-06


DD  step 220869999 load imb.: force 17.3%  pme mesh/force 0.781
           Step           Time
      220870000   441740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95318e+03    1.95567e+04    1.30418e+04    1.19957e+03   -3.14557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96904e+03    9.22468e+04    4.03508e+05   -2.34413e+04   -2.98100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64644e+04   -2.44864e+06    4.79377e+05   -1.96927e+06    2.33864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.08264e+02    1.25961e+02    5.64229e-06


DD  step 220874999 load imb.: force 17.7%  pme mesh/force 0.782
           Step           Time
      220875000   441750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00905e+03    1.94704e+04    1.29415e+04    1.18142e+03   -3.03346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71128e+03    9.24355e+04    4.01898e+05   -2.34150e+04   -2.98005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66923e+04   -2.44916e+06    4.77572e+05   -1.97159e+06    2.33870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09618e+02   -2.07796e+02    1.59923e+01    5.60423e-06


DD  step 220879999 load imb.: force 18.5%  pme mesh/force 0.804
           Step           Time
      220880000   441760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12806e+03    1.94882e+04    1.30490e+04    1.28788e+03   -3.08482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86218e+03    9.23063e+04    4.00354e+05   -2.34031e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64127e+04   -2.44659e+06    4.80505e+05   -1.96609e+06    2.33876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.07586e+02    3.98415e+01    5.63792e-06


DD  step 220884999 load imb.: force 17.9%  pme mesh/force 0.763
           Step           Time
      220885000   441770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83902e+03    1.91548e+04    1.30499e+04    1.16651e+03   -2.98925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81117e+03    9.28407e+04    3.99643e+05   -2.33950e+04   -2.97504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66046e+04   -2.44631e+06    4.79788e+05   -1.96652e+06    2.33882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11055e+02   -2.07442e+02    1.74943e+01    5.64999e-06


DD  step 220889999 load imb.: force 16.3%  pme mesh/force 0.750
           Step           Time
      220890000   441780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90680e+03    1.94458e+04    1.32375e+04    1.19140e+03   -3.11901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88763e+03    9.27279e+04    4.01044e+05   -2.33754e+04   -2.97799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63955e+04   -2.44765e+06    4.80410e+05   -1.96724e+06    2.33887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11458e+02   -2.07096e+02    4.50848e+01    5.86665e-06


DD  step 220894999 load imb.: force 17.3%  pme mesh/force 0.765
           Step           Time
      220895000   441790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92955e+03    1.97287e+04    1.31834e+04    1.16923e+03   -3.05469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75453e+03    9.27704e+04    3.97160e+05   -2.33514e+04   -2.97250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65156e+04   -2.44569e+06    4.79520e+05   -1.96617e+06    2.33893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10881e+02   -2.06671e+02   -1.37909e+02    5.58352e-06


DD  step 220899999 load imb.: force 16.8%  pme mesh/force 0.757
           Step           Time
      220900000   441800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02023e+03    1.94965e+04    1.29535e+04    1.11692e+03   -3.06963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75419e+03    9.26817e+04    3.99537e+05   -2.33922e+04   -2.97618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63403e+04   -2.44774e+06    4.79150e+05   -1.96859e+06    2.33899e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.07393e+02   -3.88680e+01    5.53825e-06


DD  step 220904999 load imb.: force 18.0%  pme mesh/force 0.789
           Step           Time
      220905000   441810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07690e+03    1.95687e+04    1.29887e+04    1.16564e+03   -3.04606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81153e+03    9.25588e+04    3.98047e+05   -2.33725e+04   -2.97299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64718e+04   -2.44572e+06    4.80202e+05   -1.96551e+06    2.33905e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.07044e+02   -9.09845e+01    5.62527e-06


DD  step 220909999 load imb.: force 16.9%  pme mesh/force 0.763
           Step           Time
      220910000   441820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11052e+03    1.92460e+04    1.30403e+04    1.18784e+03   -3.02460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79792e+03    9.30626e+04    3.99315e+05   -2.33696e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64473e+04   -2.44763e+06    4.79183e+05   -1.96845e+06    2.33911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.06994e+02   -2.80520e+01    5.65350e-06


DD  step 220914999 load imb.: force 17.7%  pme mesh/force 0.794
           Step           Time
      220915000   441830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10485e+03    1.96790e+04    1.32908e+04    1.17998e+03   -3.04927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77317e+03    9.25659e+04    4.00957e+05   -2.33892e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64683e+04   -2.44699e+06    4.78504e+05   -1.96848e+06    2.33917e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10223e+02   -2.07340e+02    1.83928e+01    5.65695e-06


DD  step 220919999 load imb.: force 16.7%  pme mesh/force 0.756
           Step           Time
      220920000   441840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04708e+03    1.94827e+04    1.30039e+04    1.11035e+03   -3.12045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91881e+03    9.26526e+04    4.02285e+05   -2.33973e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66160e+04   -2.44629e+06    4.79558e+05   -1.96673e+06    2.33923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10906e+02   -2.07484e+02    6.73772e+01    5.80331e-06


DD  step 220924999 load imb.: force 17.8%  pme mesh/force 0.814
           Step           Time
      220925000   441850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07959e+03    1.95372e+04    1.30001e+04    1.05909e+03   -3.09756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73842e+03    9.26499e+04    4.01532e+05   -2.33324e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65918e+04   -2.44665e+06    4.78662e+05   -1.96798e+06    2.33928e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10325e+02   -2.06335e+02   -1.04467e+01    5.57065e-06


DD  step 220929999 load imb.: force 16.8%  pme mesh/force 0.786
           Step           Time
      220930000   441860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01942e+03    1.95267e+04    1.29445e+04    1.29163e+03   -3.10369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76730e+03    9.27133e+04    4.03017e+05   -2.33988e+04   -2.98106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65750e+04   -2.44871e+06    4.80800e+05   -1.96791e+06    2.33934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11711e+02   -2.07509e+02    4.19177e+01    5.65475e-06


DD  step 220934999 load imb.: force 16.6%  pme mesh/force 0.786
           Step           Time
      220935000   441870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05269e+03    1.95667e+04    1.29642e+04    1.17130e+03   -3.02312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95383e+03    9.16111e+04    4.01373e+05   -2.34005e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65779e+04   -2.44752e+06    4.80299e+05   -1.96722e+06    2.33940e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11386e+02   -2.07540e+02    5.90896e+01    5.67413e-06


DD  step 220939999 load imb.: force 17.4%  pme mesh/force 0.777
           Step           Time
      220940000   441880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17139e+03    1.94688e+04    1.32008e+04    1.29500e+03   -3.09857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86799e+03    9.21960e+04    4.00062e+05   -2.33526e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68404e+04   -2.44692e+06    4.80483e+05   -1.96644e+06    2.33946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11506e+02   -2.06693e+02   -3.85048e+00    5.75307e-06


DD  step 220944999 load imb.: force 19.6%  pme mesh/force 0.824
           Step           Time
      220945000   441890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07046e+03    1.96546e+04    1.29093e+04    1.20432e+03   -3.04951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86750e+03    9.25561e+04    4.00537e+05   -2.33936e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65838e+04   -2.44734e+06    4.79476e+05   -1.96786e+06    2.33952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.07417e+02   -2.75818e-01    5.65456e-06


DD  step 220949999 load imb.: force 18.7%  pme mesh/force 0.820
           Step           Time
      220950000   441900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92752e+03    1.95733e+04    1.32780e+04    1.08767e+03   -3.05473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82927e+03    9.30553e+04    4.00326e+05   -2.33581e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66759e+04   -2.44397e+06    4.79109e+05   -1.96486e+06    2.33958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10615e+02   -2.06790e+02    7.27370e+01    5.71179e-06


DD  step 220954999 load imb.: force 16.5%  pme mesh/force 0.769
           Step           Time
      220955000   441910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18343e+03    1.90747e+04    1.29024e+04    1.17074e+03   -3.04009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94665e+03    9.26938e+04    4.00670e+05   -2.34112e+04   -2.97903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64853e+04   -2.44935e+06    4.77610e+05   -1.97174e+06    2.33964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09643e+02   -2.07730e+02   -2.90772e+01    5.72789e-06


DD  step 220959999 load imb.: force 16.2%  pme mesh/force 0.780
           Step           Time
      220960000   441920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07073e+03    1.98105e+04    1.28427e+04    1.24028e+03   -3.23817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83582e+03    9.25335e+04    4.02689e+05   -2.34192e+04   -2.98007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63608e+04   -2.44835e+06    4.81949e+05   -1.96640e+06    2.33970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12456e+02   -2.07872e+02    1.03008e+02    5.52185e-06


DD  step 220964999 load imb.: force 18.2%  pme mesh/force 0.780
           Step           Time
      220965000   441930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18493e+03    1.94017e+04    1.29438e+04    1.17811e+03   -3.06047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81280e+03    9.22871e+04    4.00512e+05   -2.33846e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65730e+04   -2.44777e+06    4.79713e+05   -1.96806e+06    2.33976e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11007e+02   -2.07258e+02    1.25716e+01    5.59538e-06


DD  step 220969999 load imb.: force 16.7%  pme mesh/force 0.774
           Step           Time
      220970000   441940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06956e+03    1.95625e+04    1.29761e+04    1.15043e+03   -3.02023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87618e+03    9.25778e+04    4.01709e+05   -2.33372e+04   -2.97751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63827e+04   -2.44657e+06    4.78942e+05   -1.96762e+06    2.33981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10506e+02   -2.06421e+02   -1.19441e+00    5.67529e-06


DD  step 220974999 load imb.: force 18.2%  pme mesh/force 0.791
           Step           Time
      220975000   441950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72985e+03    1.95775e+04    1.30341e+04    1.11684e+03   -2.98478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85998e+03    9.21587e+04    3.96953e+05   -2.33943e+04   -2.97465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65944e+04   -2.44901e+06    4.78612e+05   -1.97040e+06    2.33986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10292e+02   -2.07431e+02   -5.92386e+01    5.81067e-06


DD  step 220979999 load imb.: force 17.0%  pme mesh/force 0.744
           Step           Time
      220980000   441960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06913e+03    1.98209e+04    1.28334e+04    1.18990e+03   -3.07207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83374e+03    9.22292e+04    4.03142e+05   -2.33819e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63276e+04   -2.44636e+06    4.79688e+05   -1.96667e+06    2.33993e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10991e+02   -2.07211e+02    8.84387e+01    5.70934e-06


DD  step 220984999 load imb.: force 17.5%  pme mesh/force 0.736
           Step           Time
      220985000   441970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91039e+03    1.96302e+04    1.29137e+04    1.12618e+03   -3.18791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80012e+03    9.24054e+04    4.01461e+05   -2.33670e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64011e+04   -2.44858e+06    4.80380e+05   -1.96820e+06    2.33998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11439e+02   -2.06947e+02   -4.85869e+00    5.64597e-06


DD  step 220989999 load imb.: force 17.6%  pme mesh/force 0.810
           Step           Time
      220990000   441980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09956e+03    1.93716e+04    1.30832e+04    1.20591e+03   -3.02148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98690e+03    9.26491e+04    3.98908e+05   -2.33632e+04   -2.97373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66081e+04   -2.44520e+06    4.80628e+05   -1.96457e+06    2.34004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11600e+02   -2.06879e+02    4.51040e+01    5.64046e-06


DD  step 220994999 load imb.: force 18.5%  pme mesh/force 0.817
           Step           Time
      220995000   441990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87257e+03    1.96383e+04    1.29578e+04    1.16311e+03   -2.99603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77263e+03    9.25095e+04    3.98067e+05   -2.33326e+04   -2.97175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66276e+04   -2.44447e+06    4.82605e+05   -1.96187e+06    2.34009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12881e+02   -2.06339e+02   -5.61750e+01    5.55518e-06


DD  step 220999999 load imb.: force 17.1%  pme mesh/force 0.735
           Step           Time
      221000000   442000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01570e+03    1.97478e+04    1.28526e+04    1.15695e+03   -2.95048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91950e+03    9.27846e+04    4.02217e+05   -2.34275e+04   -2.97792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63261e+04   -2.44627e+06    4.81634e+05   -1.96464e+06    2.34015e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12252e+02   -2.08018e+02    1.04794e+02    5.66085e-06


DD  step 221004999 load imb.: force 17.2%  pme mesh/force 0.766
           Step           Time
      221005000   442010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12083e+03    1.91124e+04    1.33568e+04    1.23315e+03   -3.01141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89486e+03    9.29026e+04    3.98678e+05   -2.33669e+04   -2.97301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65601e+04   -2.44453e+06    4.81399e+05   -1.96313e+06    2.34021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12099e+02   -2.06945e+02   -4.63695e+01    5.64252e-06


DD  step 221009999 load imb.: force 17.8%  pme mesh/force 0.824
           Step           Time
      221010000   442020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95639e+03    1.89034e+04    1.29559e+04    1.25568e+03   -3.03751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90496e+03    9.27000e+04    4.01725e+05   -2.33538e+04   -2.97978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64221e+04   -2.44935e+06    4.80260e+05   -1.96909e+06    2.34027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11361e+02   -2.06714e+02    1.59854e+01    5.64503e-06


DD  step 221014999 load imb.: force 16.7%  pme mesh/force 0.793
           Step           Time
      221015000   442030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04311e+03    1.96116e+04    1.31549e+04    1.22172e+03   -3.05126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79051e+03    9.26446e+04    3.99903e+05   -2.33529e+04   -2.97219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67532e+04   -2.44248e+06    4.79553e+05   -1.96292e+06    2.34033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10903e+02   -2.06698e+02   -9.16478e+00    5.58505e-06


DD  step 221019999 load imb.: force 16.8%  pme mesh/force 0.787
           Step           Time
      221020000   442040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95170e+03    1.96228e+04    1.30322e+04    1.26250e+03   -3.13258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92022e+03    9.25112e+04    4.02167e+05   -2.33926e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63792e+04   -2.44702e+06    4.79223e+05   -1.96780e+06    2.34039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.07400e+02    6.78089e+01    5.52372e-06


DD  step 221024999 load imb.: force 17.2%  pme mesh/force 0.789
           Step           Time
      221025000   442050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01883e+03    1.96199e+04    1.31086e+04    1.22565e+03   -3.07859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77634e+03    9.21413e+04    3.99497e+05   -2.33366e+04   -2.97518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66041e+04   -2.44661e+06    4.79642e+05   -1.96697e+06    2.34044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.06410e+02   -3.37830e+01    5.71234e-06


DD  step 221029999 load imb.: force 16.9%  pme mesh/force 0.792
           Step           Time
      221030000   442060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95491e+03    1.95750e+04    1.30970e+04    1.11820e+03   -3.06897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89636e+03    9.25751e+04    4.00033e+05   -2.33689e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63934e+04   -2.44664e+06    4.81446e+05   -1.96520e+06    2.34050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12130e+02   -2.06981e+02    3.54961e+00    5.68925e-06


DD  step 221034999 load imb.: force 16.4%  pme mesh/force 0.738
           Step           Time
      221035000   442070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18197e+03    1.95178e+04    1.30677e+04    1.21712e+03   -3.03386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80441e+03    9.21596e+04    4.00221e+05   -2.33504e+04   -2.97346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63132e+04   -2.44437e+06    4.77446e+05   -1.96692e+06    2.34056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09537e+02   -2.06653e+02   -4.23442e+01    5.71336e-06


DD  step 221039999 load imb.: force 16.9%  pme mesh/force 0.789
           Step           Time
      221040000   442080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91550e+03    1.95685e+04    1.30732e+04    1.26754e+03   -3.09783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93280e+03    9.22768e+04    4.02140e+05   -2.33681e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66371e+04   -2.44648e+06    4.80446e+05   -1.96604e+06    2.34061e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11482e+02   -2.06966e+02    9.65594e+01    5.80195e-06


DD  step 221044999 load imb.: force 16.7%  pme mesh/force 0.777
           Step           Time
      221045000   442090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89549e+03    1.94377e+04    1.27528e+04    1.19382e+03   -3.07498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85908e+03    9.22845e+04    4.02797e+05   -2.33504e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65757e+04   -2.44696e+06    4.80559e+05   -1.96640e+06    2.34067e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11555e+02   -2.06653e+02    7.21758e+01    5.64923e-06


DD  step 221049999 load imb.: force 18.0%  pme mesh/force 0.746
           Step           Time
      221050000   442100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13203e+03    2.00423e+04    1.30150e+04    1.17654e+03   -3.02039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84466e+03    9.18645e+04    3.98904e+05   -2.33547e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66700e+04   -2.44523e+06    4.80525e+05   -1.96470e+06    2.34073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.06730e+02   -9.90733e+00    5.57668e-06


DD  step 221054999 load imb.: force 17.0%  pme mesh/force 0.787
           Step           Time
      221055000   442110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16758e+03    1.95017e+04    1.30197e+04    1.16685e+03   -3.07366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89121e+03    9.25480e+04    4.03351e+05   -2.34293e+04   -2.98038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63089e+04   -2.44793e+06    4.78816e+05   -1.96911e+06    2.34079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.08051e+02    1.07695e+02    5.67723e-06


DD  step 221059999 load imb.: force 17.2%  pme mesh/force 0.795
           Step           Time
      221060000   442120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83988e+03    1.93065e+04    1.29139e+04    1.17445e+03   -3.03608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82041e+03    9.26583e+04    4.00496e+05   -2.33477e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66463e+04   -2.44805e+06    4.77910e+05   -1.97014e+06    2.34085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09838e+02   -2.06605e+02   -3.48225e+01    5.53410e-06


DD  step 221064999 load imb.: force 16.4%  pme mesh/force 0.784
           Step           Time
      221065000   442130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91667e+03    1.98250e+04    1.28158e+04    1.19917e+03   -2.90433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76963e+03    9.24044e+04    4.02514e+05   -2.33544e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65653e+04   -2.44580e+06    4.81100e+05   -1.96470e+06    2.34091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11906e+02   -2.06724e+02    4.56625e+01    5.56658e-06


DD  step 221069999 load imb.: force 16.6%  pme mesh/force 0.794
           Step           Time
      221070000   442140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02743e+03    1.99529e+04    1.30562e+04    1.16725e+03   -3.15715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87662e+03    9.23822e+04    3.98060e+05   -2.33746e+04   -2.97254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64939e+04   -2.44506e+06    4.80040e+05   -1.96502e+06    2.34096e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11219e+02   -2.07082e+02   -5.83319e+01    5.72897e-06


DD  step 221074999 load imb.: force 17.5%  pme mesh/force 0.787
           Step           Time
      221075000   442150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12510e+03    1.94054e+04    1.30365e+04    1.14447e+03   -3.09936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83669e+03    9.23264e+04    4.03368e+05   -2.33608e+04   -2.97872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65130e+04   -2.44642e+06    4.79498e+05   -1.96693e+06    2.34102e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10867e+02   -2.06837e+02    1.17341e+02    5.79364e-06


DD  step 221079999 load imb.: force 16.8%  pme mesh/force 0.755
           Step           Time
      221080000   442160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85705e+03    1.94650e+04    1.30149e+04    1.17765e+03   -3.10746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77904e+03    9.27141e+04    3.99006e+05   -2.34284e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64461e+04   -2.44997e+06    4.80320e+05   -1.96965e+06    2.34108e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11400e+02   -2.08034e+02   -5.35215e+01    5.66221e-06


DD  step 221084999 load imb.: force 16.8%  pme mesh/force 0.744
           Step           Time
      221085000   442170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93284e+03    1.94181e+04    1.30976e+04    1.20889e+03   -3.03068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87035e+03    9.25125e+04    4.00560e+05   -2.33727e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65218e+04   -2.44808e+06    4.81257e+05   -1.96682e+06    2.34113e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12008e+02   -2.07047e+02    4.04436e+00    5.48605e-06


DD  step 221089999 load imb.: force 16.6%  pme mesh/force 0.747
           Step           Time
      221090000   442180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27861e+03    1.94263e+04    1.30518e+04    1.13174e+03   -3.10035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79733e+03    9.24734e+04    4.01643e+05   -2.33747e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66191e+04   -2.44757e+06    4.82664e+05   -1.96491e+06    2.34119e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12919e+02   -2.07084e+02   -2.02988e+01    5.48941e-06


DD  step 221094999 load imb.: force 16.3%  pme mesh/force 0.739
           Step           Time
      221095000   442190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73168e+03    1.95007e+04    1.30595e+04    1.15457e+03   -3.04368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72694e+03    9.26674e+04    4.02450e+05   -2.33553e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66904e+04   -2.44652e+06    4.78987e+05   -1.96754e+06    2.34125e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.06739e+02    8.51662e+01    5.67251e-06

Writing checkpoint, step 221098100 at Tue Nov  7 20:16:28 2023



DD  step 221099999 load imb.: force 18.5%  pme mesh/force 0.781
           Step           Time
      221100000   442200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03274e+03    1.93670e+04    1.30439e+04    1.19748e+03   -3.09136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84256e+03    9.31295e+04    3.99087e+05   -2.34264e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64424e+04   -2.44700e+06    4.80240e+05   -1.96676e+06    2.34131e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.07999e+02   -3.98289e+01    5.76336e-06


DD  step 221104999 load imb.: force 15.8%  pme mesh/force 0.734
           Step           Time
      221105000   442210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71737e+03    1.97129e+04    1.30458e+04    1.14123e+03   -3.10901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88233e+03    9.24401e+04    4.00663e+05   -2.33683e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.60386e+04   -2.44892e+06    4.78914e+05   -1.97000e+06    2.34137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.06970e+02   -7.34529e+01    5.72660e-06


DD  step 221109999 load imb.: force 20.6%  pme mesh/force 0.818
           Step           Time
      221110000   442220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09185e+03    1.96867e+04    1.29576e+04    1.24521e+03   -3.12761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77543e+03    9.24845e+04    4.01150e+05   -2.33598e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66605e+04   -2.44473e+06    4.79175e+05   -1.96556e+06    2.34143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10657e+02   -2.06820e+02    3.57979e+01    5.62092e-06


DD  step 221114999 load imb.: force 17.4%  pme mesh/force 0.784
           Step           Time
      221115000   442230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89287e+03    1.96692e+04    1.31107e+04    1.09463e+03   -3.01329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87401e+03    9.24592e+04    3.98140e+05   -2.34027e+04   -2.97280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65079e+04   -2.44546e+06    4.80878e+05   -1.96459e+06    2.34148e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11761e+02   -2.07578e+02    4.44298e+00    5.69596e-06


DD  step 221119999 load imb.: force 16.8%  pme mesh/force 0.782
           Step           Time
      221120000   442240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89953e+03    1.96428e+04    1.29634e+04    1.19137e+03   -3.09931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82674e+03    9.23648e+04    4.03292e+05   -2.34004e+04   -2.98029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64246e+04   -2.44818e+06    4.79566e+05   -1.96862e+06    2.34154e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.07537e+02    7.23070e+01    5.70553e-06


DD  step 221124999 load imb.: force 16.9%  pme mesh/force 0.736
           Step           Time
      221125000   442250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19670e+03    2.00271e+04    1.30209e+04    1.18049e+03   -3.09368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84833e+03    9.21148e+04    3.98549e+05   -2.33817e+04   -2.97338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64076e+04   -2.44551e+06    4.80959e+05   -1.96455e+06    2.34160e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11815e+02   -2.07206e+02   -6.23560e+01    5.78190e-06


DD  step 221129999 load imb.: force 18.6%  pme mesh/force 0.794
           Step           Time
      221130000   442260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21654e+03    1.92542e+04    1.29745e+04    1.12884e+03   -3.04952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84897e+03    9.22984e+04    4.00247e+05   -2.34090e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62249e+04   -2.44831e+06    4.78056e+05   -1.97025e+06    2.34165e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09932e+02   -2.07690e+02    1.85722e+00    5.68276e-06


DD  step 221134999 load imb.: force 18.0%  pme mesh/force 0.801
           Step           Time
      221135000   442270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17039e+03    1.95811e+04    1.29736e+04    1.08342e+03   -2.97528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82903e+03    9.17446e+04    4.02328e+05   -2.33711e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66275e+04   -2.44702e+06    4.79320e+05   -1.96770e+06    2.34172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10752e+02   -2.07020e+02    8.65253e+00    5.59725e-06


DD  step 221139999 load imb.: force 17.2%  pme mesh/force 0.777
           Step           Time
      221140000   442280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87530e+03    1.97598e+04    1.29827e+04    1.11568e+03   -3.04035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93284e+03    9.30297e+04    4.01556e+05   -2.33619e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66136e+04   -2.44497e+06    4.82152e+05   -1.96282e+06    2.34178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12588e+02   -2.06856e+02    8.42018e+01    5.54759e-06


DD  step 221144999 load imb.: force 16.7%  pme mesh/force 0.750
           Step           Time
      221145000   442290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23469e+03    1.96791e+04    1.31190e+04    1.19105e+03   -3.07747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92275e+03    9.22386e+04    4.01906e+05   -2.34021e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63025e+04   -2.44505e+06    4.81764e+05   -1.96329e+06    2.34184e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12336e+02   -2.07569e+02    1.15746e+02    5.74010e-06


DD  step 221149999 load imb.: force 17.3%  pme mesh/force 0.777
           Step           Time
      221150000   442300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06764e+03    1.95004e+04    1.31392e+04    1.22931e+03   -3.08786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85673e+03    9.21969e+04    4.02733e+05   -2.33732e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63867e+04   -2.44685e+06    4.81202e+05   -1.96565e+06    2.34189e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11972e+02   -2.07057e+02    6.65654e+01    5.60170e-06


DD  step 221154999 load imb.: force 17.9%  pme mesh/force 0.753
           Step           Time
      221155000   442310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19973e+03    1.95308e+04    1.32096e+04    1.18100e+03   -3.14918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74653e+03    9.19578e+04    4.01019e+05   -2.33517e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66127e+04   -2.44769e+06    4.78120e+05   -1.96957e+06    2.34195e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.06676e+02   -1.83543e+01    5.49550e-06


DD  step 221159999 load imb.: force 17.4%  pme mesh/force 0.752
           Step           Time
      221160000   442320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23003e+03    1.93102e+04    1.29062e+04    1.10175e+03   -3.09250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77275e+03    9.25739e+04    3.98588e+05   -2.33874e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64258e+04   -2.44991e+06    4.80027e+05   -1.96988e+06    2.34201e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.07307e+02   -1.37497e+02    5.79487e-06


DD  step 221164999 load imb.: force 16.7%  pme mesh/force 0.752
           Step           Time
      221165000   442330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68955e+03    1.95413e+04    1.29530e+04    1.21818e+03   -2.97322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92961e+03    9.33218e+04    3.98220e+05   -2.33857e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64413e+04   -2.44713e+06    4.80233e+05   -1.96690e+06    2.34206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11343e+02   -2.07278e+02   -7.07562e+01    5.64615e-06


DD  step 221169999 load imb.: force 16.5%  pme mesh/force 0.715
           Step           Time
      221170000   442340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14352e+03    1.98671e+04    1.31424e+04    1.19367e+03   -3.08047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90272e+03    9.20001e+04    3.99850e+05   -2.34686e+04   -2.97347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62736e+04   -2.44464e+06    4.79573e+05   -1.96507e+06    2.34213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10916e+02   -2.08748e+02    5.03580e+01    5.64257e-06


DD  step 221174999 load imb.: force 16.4%  pme mesh/force 0.761
           Step           Time
      221175000   442350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11040e+03    1.95215e+04    1.28617e+04    1.22359e+03   -2.95751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85560e+03    9.30189e+04    3.96243e+05   -2.33737e+04   -2.97114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65784e+04   -2.44506e+06    4.80443e+05   -1.96462e+06    2.34218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11480e+02   -2.07065e+02   -7.43446e+01    5.71851e-06


DD  step 221179999 load imb.: force 16.0%  pme mesh/force 0.729
           Step           Time
      221180000   442360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16591e+03    1.95840e+04    1.29910e+04    1.18434e+03   -3.05787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84691e+03    9.22191e+04    4.00872e+05   -2.33635e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63015e+04   -2.44765e+06    4.81531e+05   -1.96612e+06    2.34224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12185e+02   -2.06885e+02    1.54987e+01    5.57944e-06


DD  step 221184999 load imb.: force 17.6%  pme mesh/force 0.765
           Step           Time
      221185000   442370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76039e+03    1.96289e+04    1.31438e+04    1.19515e+03   -3.09189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82629e+03    9.26899e+04    4.01139e+05   -2.33607e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66047e+04   -2.44516e+06    4.79335e+05   -1.96583e+06    2.34230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.06835e+02    2.71631e+01    5.68644e-06


DD  step 221189999 load imb.: force 16.0%  pme mesh/force 0.701
           Step           Time
      221190000   442380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13618e+03    1.92033e+04    1.30165e+04    1.08537e+03   -2.99628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82517e+03    9.27884e+04    3.99353e+05   -2.33876e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63679e+04   -2.45020e+06    4.78828e+05   -1.97137e+06    2.34236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10433e+02   -2.07311e+02   -6.12462e+01    5.61068e-06


DD  step 221194999 load imb.: force 17.2%  pme mesh/force 0.732
           Step           Time
      221195000   442390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14505e+03    1.92153e+04    1.30159e+04    1.14329e+03   -3.09685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92755e+03    9.26569e+04    3.98553e+05   -2.33802e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63285e+04   -2.44685e+06    4.78804e+05   -1.96805e+06    2.34241e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10417e+02   -2.07180e+02   -2.54292e+01    5.66865e-06


DD  step 221199999 load imb.: force 17.3%  pme mesh/force 0.760
           Step           Time
      221200000   442400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79373e+03    1.95687e+04    1.29085e+04    1.21576e+03   -3.00806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92497e+03    9.30556e+04    4.01547e+05   -2.33730e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66138e+04   -2.44467e+06    4.80449e+05   -1.96423e+06    2.34247e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11484e+02   -2.07054e+02    5.31508e+01    5.65544e-06


DD  step 221204999 load imb.: force 18.0%  pme mesh/force 0.738
           Step           Time
      221205000   442410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97983e+03    1.94852e+04    1.30333e+04    1.23411e+03   -3.08718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01785e+03    9.25333e+04    4.02749e+05   -2.34322e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64950e+04   -2.44731e+06    4.81137e+05   -1.96618e+06    2.34253e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11929e+02   -2.08102e+02    1.02810e+02    5.77128e-06


DD  step 221209999 load imb.: force 15.0%  pme mesh/force 0.735
           Step           Time
      221210000   442420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99948e+03    1.92826e+04    1.30979e+04    1.21053e+03   -3.18125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82237e+03    9.22132e+04    4.03863e+05   -2.34249e+04   -2.98196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63652e+04   -2.44971e+06    4.79177e+05   -1.97054e+06    2.34259e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10659e+02   -2.07972e+02    5.89441e+01    5.60091e-06


DD  step 221214999 load imb.: force 17.0%  pme mesh/force 0.759
           Step           Time
      221215000   442430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67560e+03    1.95718e+04    1.32192e+04    1.19332e+03   -3.13783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79003e+03    9.23367e+04    4.01854e+05   -2.33777e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64648e+04   -2.44610e+06    4.80468e+05   -1.96563e+06    2.34264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11496e+02   -2.07137e+02    3.80924e+01    5.57468e-06


DD  step 221219999 load imb.: force 17.5%  pme mesh/force 0.753
           Step           Time
      221220000   442440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75647e+03    1.95139e+04    1.30954e+04    1.17660e+03   -2.97682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83733e+03    9.25851e+04    4.00702e+05   -2.34086e+04   -2.98068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65394e+04   -2.45086e+06    4.80259e+05   -1.97061e+06    2.34270e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11361e+02   -2.07683e+02    8.17850e+00    5.64538e-06


DD  step 221224999 load imb.: force 17.7%  pme mesh/force 0.800
           Step           Time
      221225000   442450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96441e+03    1.96947e+04    1.29536e+04    1.13414e+03   -3.03536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84585e+03    9.26424e+04    3.98757e+05   -2.34029e+04   -2.97440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66724e+04   -2.44618e+06    4.79451e+05   -1.96673e+06    2.34277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.07583e+02   -4.28763e+00    5.56023e-06


DD  step 221229999 load imb.: force 17.5%  pme mesh/force 0.756
           Step           Time
      221230000   442460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98376e+03    1.94748e+04    1.30706e+04    1.19970e+03   -3.09457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82587e+03    9.29845e+04    4.01043e+05   -2.33738e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62243e+04   -2.44725e+06    4.78038e+05   -1.96922e+06    2.34283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09920e+02   -2.07068e+02   -9.03287e+00    5.74615e-06


DD  step 221234999 load imb.: force 14.8%  pme mesh/force 0.744
           Step           Time
      221235000   442470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01099e+03    1.93586e+04    1.29735e+04    1.27116e+03   -2.98234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76354e+03    9.27731e+04    3.97760e+05   -2.33847e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65301e+04   -2.44782e+06    4.79616e+05   -1.96820e+06    2.34288e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.07260e+02   -1.25858e+02    5.68567e-06


DD  step 221239999 load imb.: force 17.4%  pme mesh/force 0.765
           Step           Time
      221240000   442480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97850e+03    1.90299e+04    1.30325e+04    1.14927e+03   -3.04738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85946e+03    9.28033e+04    4.02759e+05   -2.34074e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66239e+04   -2.44741e+06    4.79308e+05   -1.96810e+06    2.34294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.07662e+02    1.16112e+02    5.64878e-06


DD  step 221244999 load imb.: force 17.6%  pme mesh/force 0.753
           Step           Time
      221245000   442490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29490e+03    1.95776e+04    1.31046e+04    1.14770e+03   -2.96206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92199e+03    9.26214e+04    3.98800e+05   -2.33167e+04   -2.97062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65037e+04   -2.44193e+06    4.80425e+05   -1.96151e+06    2.34300e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11468e+02   -2.06058e+02   -2.80407e+01    5.58992e-06


DD  step 221249999 load imb.: force 16.9%  pme mesh/force 0.766
           Step           Time
      221250000   442500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92061e+03    1.93795e+04    1.31451e+04    1.24702e+03   -3.10769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94064e+03    9.26406e+04    4.02988e+05   -2.33929e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66017e+04   -2.44935e+06    4.80574e+05   -1.96878e+06    2.34305e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.07406e+02    7.58099e+01    5.65797e-06


DD  step 221254999 load imb.: force 16.3%  pme mesh/force 0.759
           Step           Time
      221255000   442510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32375e+03    1.90501e+04    1.29482e+04    1.21476e+03   -3.01234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80163e+03    9.26554e+04    4.02028e+05   -2.33606e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67030e+04   -2.44713e+06    4.80449e+05   -1.96668e+06    2.34311e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11484e+02   -2.06833e+02   -4.08059e+01    5.70258e-06


DD  step 221259999 load imb.: force 15.6%  pme mesh/force 0.766
           Step           Time
      221260000   442520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73014e+03    1.92260e+04    1.29066e+04    1.11229e+03   -3.14057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86521e+03    9.26582e+04    4.00846e+05   -2.33576e+04   -2.97975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66723e+04   -2.45023e+06    4.77379e+05   -1.97285e+06    2.34317e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09493e+02   -2.06780e+02   -4.30526e+01    5.56786e-06


DD  step 221264999 load imb.: force 16.3%  pme mesh/force 0.736
           Step           Time
      221265000   442530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89270e+03    1.95326e+04    1.29235e+04    1.23641e+03   -2.93737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84080e+03    9.25683e+04    4.01336e+05   -2.33790e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66223e+04   -2.44682e+06    4.80190e+05   -1.96664e+06    2.34323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.07159e+02    3.16171e+01    5.72513e-06


DD  step 221269999 load imb.: force 17.3%  pme mesh/force 0.765
           Step           Time
      221270000   442540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96501e+03    1.97032e+04    1.30842e+04    1.14938e+03   -3.07639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88841e+03    9.25796e+04    3.98093e+05   -2.33726e+04   -2.97171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63952e+04   -2.44430e+06    4.80616e+05   -1.96368e+06    2.34328e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11592e+02   -2.07046e+02   -1.80147e+01    5.66723e-06


DD  step 221274999 load imb.: force 16.1%  pme mesh/force 0.760
           Step           Time
      221275000   442550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05300e+03    1.89600e+04    1.29831e+04    1.25321e+03   -2.92935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85596e+03    9.23654e+04    4.00372e+05   -2.33933e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63285e+04   -2.44875e+06    4.80127e+05   -1.96862e+06    2.34334e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07413e+02   -2.96275e+01    5.71113e-06


DD  step 221279999 load imb.: force 16.2%  pme mesh/force 0.757
           Step           Time
      221280000   442560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07510e+03    1.92658e+04    1.29596e+04    1.15179e+03   -3.10485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87696e+03    9.25259e+04    4.00866e+05   -2.33642e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65083e+04   -2.44777e+06    4.81477e+05   -1.96630e+06    2.34340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12150e+02   -2.06897e+02   -2.43730e+01    5.78491e-06


DD  step 221284999 load imb.: force 16.4%  pme mesh/force 0.743
           Step           Time
      221285000   442570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95069e+03    1.93381e+04    1.31801e+04    1.25004e+03   -2.92510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84747e+03    9.31567e+04    3.99062e+05   -2.33518e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64043e+04   -2.44596e+06    4.81185e+05   -1.96477e+06    2.34346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.06679e+02   -6.17919e+01    5.62011e-06


DD  step 221289999 load imb.: force 17.8%  pme mesh/force 0.766
           Step           Time
      221290000   442580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12504e+03    1.93666e+04    1.28899e+04    1.11394e+03   -2.94080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88535e+03    9.26802e+04    4.02396e+05   -2.34267e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64604e+04   -2.44707e+06    4.78639e+05   -1.96844e+06    2.34352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10310e+02   -2.08004e+02    5.83489e+01    5.65145e-06


DD  step 221294999 load imb.: force 15.8%  pme mesh/force 0.739
           Step           Time
      221295000   442590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01610e+03    1.98196e+04    1.29399e+04    1.16658e+03   -2.98903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80085e+03    9.27697e+04    4.00721e+05   -2.34040e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65566e+04   -2.44777e+06    4.79840e+05   -1.96793e+06    2.34358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11089e+02   -2.07602e+02   -1.84886e+00    5.73237e-06


DD  step 221299999 load imb.: force 16.0%  pme mesh/force 0.773
           Step           Time
      221300000   442600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09214e+03    1.95806e+04    1.29878e+04    1.16976e+03   -3.16682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82333e+03    9.32713e+04    4.00337e+05   -2.33794e+04   -2.97628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64187e+04   -2.44614e+06    4.78980e+05   -1.96716e+06    2.34363e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10531e+02   -2.07166e+02   -4.16633e+01    5.74690e-06


DD  step 221304999 load imb.: force 16.4%  pme mesh/force 0.779
           Step           Time
      221305000   442610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01842e+03    1.92346e+04    1.30076e+04    1.13325e+03   -3.17326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93015e+03    9.23352e+04    4.03158e+05   -2.34259e+04   -2.98220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63542e+04   -2.45063e+06    4.77772e+05   -1.97286e+06    2.34369e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09748e+02   -2.07990e+02    7.08755e+01    5.76617e-06


DD  step 221309999 load imb.: force 16.4%  pme mesh/force 0.786
           Step           Time
      221310000   442620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12284e+03    1.95954e+04    1.28722e+04    1.17061e+03   -3.10945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77647e+03    9.23651e+04    4.04384e+05   -2.33574e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66422e+04   -2.44606e+06    4.78200e+05   -1.96786e+06    2.34375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10026e+02   -2.06778e+02    9.83243e+01    5.72756e-06


DD  step 221314999 load imb.: force 17.3%  pme mesh/force 0.785
           Step           Time
      221315000   442630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20750e+03    1.95934e+04    1.29641e+04    1.15285e+03   -3.08512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68276e+03    9.28525e+04    4.01235e+05   -2.33760e+04   -2.97928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65863e+04   -2.44847e+06    4.80500e+05   -1.96797e+06    2.34381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11517e+02   -2.07106e+02    7.50682e+00    5.87026e-06


DD  step 221319999 load imb.: force 20.1%  pme mesh/force 0.766
           Step           Time
      221320000   442640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12994e+03    1.93306e+04    1.29299e+04    1.18800e+03   -2.97904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88156e+03    9.31622e+04    4.01099e+05   -2.34007e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66333e+04   -2.44656e+06    4.78961e+05   -1.96760e+06    2.34386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.07544e+02   -6.63820e+00    5.70088e-06


DD  step 221324999 load imb.: force 17.9%  pme mesh/force 0.777
           Step           Time
      221325000   442650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21044e+03    1.91327e+04    1.29890e+04    1.16078e+03   -2.94359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89875e+03    9.26233e+04    4.00707e+05   -2.33844e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65854e+04   -2.44771e+06    4.79211e+05   -1.96850e+06    2.34392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10681e+02   -2.07254e+02   -2.62021e+01    5.80393e-06


DD  step 221329999 load imb.: force 17.0%  pme mesh/force 0.739
           Step           Time
      221330000   442660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76009e+03    1.98146e+04    1.30008e+04    1.16116e+03   -3.06013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79151e+03    9.27459e+04    4.02157e+05   -2.33526e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65266e+04   -2.44625e+06    4.78547e+05   -1.96770e+06    2.34398e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10251e+02   -2.06693e+02    7.87291e+01    5.68412e-06


DD  step 221334999 load imb.: force 15.1%  pme mesh/force 0.730
           Step           Time
      221335000   442670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90933e+03    1.95576e+04    1.30022e+04    1.14262e+03   -3.06822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72525e+03    9.23838e+04    3.96698e+05   -2.34176e+04   -2.97286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66113e+04   -2.44731e+06    4.78117e+05   -1.96920e+06    2.34404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09972e+02   -2.07843e+02   -8.94974e+01    5.62697e-06


DD  step 221339999 load imb.: force 18.7%  pme mesh/force 0.748
           Step           Time
      221340000   442680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92448e+03    1.95505e+04    1.30149e+04    1.21619e+03   -3.05703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78730e+03    9.29517e+04    4.02295e+05   -2.33862e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64850e+04   -2.44777e+06    4.80709e+05   -1.96706e+06    2.34409e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11652e+02   -2.07286e+02    4.89030e+01    5.59557e-06


DD  step 221344999 load imb.: force 17.9%  pme mesh/force 0.780
           Step           Time
      221345000   442690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94701e+03    1.96867e+04    1.29289e+04    1.22259e+03   -3.10938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87750e+03    9.27418e+04    3.98511e+05   -2.34415e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62042e+04   -2.44790e+06    4.82103e+05   -1.96579e+06    2.34415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12556e+02   -2.08268e+02    2.23760e+01    5.66936e-06


DD  step 221349999 load imb.: force 16.4%  pme mesh/force 0.740
           Step           Time
      221350000   442700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94093e+03    1.95276e+04    1.30584e+04    1.18764e+03   -2.96977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88208e+03    9.25431e+04    3.99434e+05   -2.33131e+04   -2.97334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68941e+04   -2.44416e+06    4.78015e+05   -1.96614e+06    2.34421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09905e+02   -2.05994e+02   -5.99991e+01    5.80537e-06


DD  step 221354999 load imb.: force 16.6%  pme mesh/force 0.790
           Step           Time
      221355000   442710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92128e+03    1.98379e+04    1.31274e+04    1.18351e+03   -2.94283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85203e+03    9.32101e+04    4.00517e+05   -2.33924e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67084e+04   -2.44682e+06    4.81770e+05   -1.96505e+06    2.34427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12340e+02   -2.07396e+02    2.46203e+01    5.72362e-06


DD  step 221359999 load imb.: force 16.0%  pme mesh/force 0.745
           Step           Time
      221360000   442720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07052e+03    1.96797e+04    1.29760e+04    1.14810e+03   -3.05253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86423e+03    9.30455e+04    4.04353e+05   -2.33247e+04   -2.97930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64449e+04   -2.44510e+06    4.79543e+05   -1.96556e+06    2.34433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10896e+02   -2.06199e+02    1.38806e+02    5.60336e-06


DD  step 221364999 load imb.: force 17.3%  pme mesh/force 0.764
           Step           Time
      221365000   442730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17154e+03    1.96811e+04    1.28645e+04    1.14837e+03   -2.99986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85073e+03    9.27955e+04    4.00158e+05   -2.34198e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63224e+04   -2.44660e+06    4.79493e+05   -1.96710e+06    2.34439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.07882e+02    3.04651e+01    5.64548e-06


DD  step 221369999 load imb.: force 16.4%  pme mesh/force 0.724
           Step           Time
      221370000   442740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02065e+03    1.94500e+04    1.30148e+04    1.22055e+03   -3.06169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86615e+03    9.30122e+04    3.98309e+05   -2.33304e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66315e+04   -2.44752e+06    4.79880e+05   -1.96764e+06    2.34445e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11115e+02   -2.06299e+02   -1.00062e+02    5.61764e-06


DD  step 221374999 load imb.: force 15.2%  pme mesh/force 0.746
           Step           Time
      221375000   442750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11565e+03    1.95479e+04    1.29638e+04    1.21760e+03   -2.99237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91317e+03    9.29810e+04    4.00595e+05   -2.33664e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65082e+04   -2.44728e+06    4.80031e+05   -1.96725e+06    2.34451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11212e+02   -2.06935e+02   -1.58873e+01    5.63525e-06


DD  step 221379999 load imb.: force 17.7%  pme mesh/force 0.795
           Step           Time
      221380000   442760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90572e+03    1.93404e+04    1.29170e+04    1.22974e+03   -3.09821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85917e+03    9.31215e+04    3.98589e+05   -2.33697e+04   -2.97533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63841e+04   -2.44745e+06    4.79251e+05   -1.96820e+06    2.34456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.06995e+02   -1.11223e+02    5.57095e-06


DD  step 221384999 load imb.: force 16.1%  pme mesh/force 0.762
           Step           Time
      221385000   442770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08111e+03    1.93555e+04    1.31595e+04    1.29421e+03   -3.13419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75922e+03    9.25076e+04    3.97036e+05   -2.33654e+04   -2.97277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65697e+04   -2.44651e+06    4.78094e+05   -1.96841e+06    2.34462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09957e+02   -2.06918e+02   -1.43329e+02    5.72693e-06


DD  step 221389999 load imb.: force 17.8%  pme mesh/force 0.790
           Step           Time
      221390000   442780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99919e+03    1.90869e+04    1.30431e+04    1.22404e+03   -2.96876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86652e+03    9.30723e+04    4.05573e+05   -2.34240e+04   -2.98305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64784e+04   -2.44810e+06    4.80884e+05   -1.96721e+06    2.34468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11766e+02   -2.07956e+02    1.59504e+02    5.67986e-06


DD  step 221394999 load imb.: force 19.3%  pme mesh/force 0.803
           Step           Time
      221395000   442790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91858e+03    1.93731e+04    1.32106e+04    1.18532e+03   -3.06968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78240e+03    9.23019e+04    4.02225e+05   -2.33795e+04   -2.98121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66026e+04   -2.45006e+06    4.77789e+05   -1.97227e+06    2.34473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09759e+02   -2.07168e+02   -3.66720e+01    5.73170e-06


DD  step 221399999 load imb.: force 17.0%  pme mesh/force 0.768
           Step           Time
      221400000   442800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07663e+03    1.93879e+04    1.31973e+04    1.19655e+03   -3.05473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86600e+03    9.27018e+04    4.00565e+05   -2.33577e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64322e+04   -2.44577e+06    4.81110e+05   -1.96466e+06    2.34480e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11912e+02   -2.06782e+02   -1.95190e+01    5.60196e-06


DD  step 221404999 load imb.: force 17.1%  pme mesh/force 0.735
           Step           Time
      221405000   442810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98896e+03    1.94520e+04    1.27901e+04    1.12402e+03   -3.02563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82285e+03    9.25988e+04    3.98126e+05   -2.34137e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63763e+04   -2.45109e+06    4.81941e+05   -1.96915e+06    2.34485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12451e+02   -2.07773e+02   -4.56846e+01    5.52816e-06


DD  step 221409999 load imb.: force 15.0%  pme mesh/force 0.740
           Step           Time
      221410000   442820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14690e+03    1.95721e+04    1.31053e+04    1.18409e+03   -3.03984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89367e+03    9.26848e+04    4.01412e+05   -2.33764e+04   -2.97900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65592e+04   -2.44785e+06    4.80837e+05   -1.96702e+06    2.34491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.07113e+02    5.09271e+01    5.58821e-06


DD  step 221414999 load imb.: force 16.2%  pme mesh/force 0.767
           Step           Time
      221415000   442830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22692e+03    1.92920e+04    1.29485e+04    1.21744e+03   -3.02872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84368e+03    9.27320e+04    3.98537e+05   -2.33905e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65853e+04   -2.44659e+06    4.77540e+05   -1.96905e+06    2.34497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09597e+02   -2.07363e+02   -5.24676e+01    5.53451e-06


DD  step 221419999 load imb.: force 17.8%  pme mesh/force 0.747
           Step           Time
      221420000   442840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11607e+03    1.99313e+04    1.30319e+04    1.14932e+03   -3.10585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73244e+03    9.29102e+04    4.02273e+05   -2.34074e+04   -2.98086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65358e+04   -2.44870e+06    4.80981e+05   -1.96772e+06    2.34503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11829e+02   -2.07661e+02    4.31407e+01    5.67042e-06


DD  step 221424999 load imb.: force 16.9%  pme mesh/force 0.782
           Step           Time
      221425000   442850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04737e+03    1.93227e+04    1.30470e+04    1.13767e+03   -3.06463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81596e+03    9.22932e+04    3.99039e+05   -2.34440e+04   -2.97693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66029e+04   -2.44913e+06    4.78403e+05   -1.97073e+06    2.34509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10157e+02   -2.08311e+02   -1.71540e+01    5.64008e-06

Writing checkpoint, step 221428850 at Tue Nov  7 20:31:28 2023



DD  step 221429999 load imb.: force 17.3%  pme mesh/force 0.752
           Step           Time
      221430000   442860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79478e+03    1.88446e+04    1.30716e+04    1.21559e+03   -3.00753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85298e+03    9.30711e+04    4.00225e+05   -2.33648e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63653e+04   -2.44898e+06    4.78904e+05   -1.97008e+06    2.34514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10482e+02   -2.06907e+02    1.45689e+01    5.66778e-06


DD  step 221434999 load imb.: force 18.2%  pme mesh/force 0.813
           Step           Time
      221435000   442870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85080e+03    1.90476e+04    1.30209e+04    1.16854e+03   -3.08324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92728e+03    9.32113e+04    4.00073e+05   -2.33587e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63962e+04   -2.44675e+06    4.76197e+05   -1.97056e+06    2.34521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08727e+02   -2.06801e+02    1.09780e+01    5.75227e-06


DD  step 221439999 load imb.: force 16.9%  pme mesh/force 0.777
           Step           Time
      221440000   442880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99291e+03    1.93911e+04    1.30383e+04    1.15281e+03   -2.97989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88490e+03    9.31001e+04    4.00572e+05   -2.33743e+04   -2.97451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66586e+04   -2.44407e+06    4.79869e+05   -1.96420e+06    2.34527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11108e+02   -2.07075e+02    9.02395e+01    5.73354e-06


DD  step 221444999 load imb.: force 16.4%  pme mesh/force 0.762
           Step           Time
      221445000   442890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89587e+03    1.95349e+04    1.31842e+04    1.23872e+03   -3.12464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91184e+03    9.33209e+04    4.01530e+05   -2.33706e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66422e+04   -2.44420e+06    4.80682e+05   -1.96352e+06    2.34533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11635e+02   -2.07011e+02    9.13552e+01    5.71754e-06


DD  step 221449999 load imb.: force 16.5%  pme mesh/force 0.766
           Step           Time
      221450000   442900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02810e+03    1.95658e+04    1.29910e+04    1.10816e+03   -3.09412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72608e+03    9.30712e+04    3.99303e+05   -2.33703e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65576e+04   -2.44700e+06    4.78516e+05   -1.96849e+06    2.34538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10230e+02   -2.07006e+02   -1.00835e+02    5.60276e-06


DD  step 221454999 load imb.: force 17.6%  pme mesh/force 0.762
           Step           Time
      221455000   442910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75208e+03    1.91490e+04    1.30833e+04    1.21382e+03   -3.02673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90980e+03    9.37830e+04    3.97636e+05   -2.33875e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64712e+04   -2.44815e+06    4.78150e+05   -1.97000e+06    2.34544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09993e+02   -2.07310e+02   -2.22367e+01    5.67877e-06


DD  step 221459999 load imb.: force 16.6%  pme mesh/force 0.769
           Step           Time
      221460000   442920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12692e+03    1.91151e+04    1.32794e+04    1.19012e+03   -2.93769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77056e+03    9.34406e+04    4.01190e+05   -2.34122e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63932e+04   -2.44651e+06    4.79956e+05   -1.96655e+06    2.34550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11164e+02   -2.07746e+02   -1.41309e+01    5.75812e-06


DD  step 221464999 load imb.: force 18.9%  pme mesh/force 0.773
           Step           Time
      221465000   442930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03622e+03    1.91680e+04    1.29836e+04    1.19080e+03   -3.12314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83755e+03    9.30112e+04    4.01602e+05   -2.33792e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62684e+04   -2.44712e+06    4.77220e+05   -1.96990e+06    2.34556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09390e+02   -2.07162e+02    2.88206e+01    5.70376e-06


DD  step 221469999 load imb.: force 17.1%  pme mesh/force 0.765
           Step           Time
      221470000   442940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10421e+03    1.96009e+04    1.29788e+04    1.17388e+03   -3.11149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93079e+03    9.27696e+04    4.00783e+05   -2.33657e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65581e+04   -2.44571e+06    4.78647e+05   -1.96706e+06    2.34562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10316e+02   -2.06924e+02    5.58014e+01    5.75145e-06


DD  step 221474999 load imb.: force 17.4%  pme mesh/force 0.785
           Step           Time
      221475000   442950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93196e+03    1.88399e+04    1.30438e+04    1.24556e+03   -3.17299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94832e+03    9.30385e+04    4.02330e+05   -2.33846e+04   -2.98027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64018e+04   -2.44905e+06    4.79479e+05   -1.96957e+06    2.34567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10855e+02   -2.07258e+02    7.75736e+01    5.66245e-06


DD  step 221479999 load imb.: force 20.0%  pme mesh/force 0.738
           Step           Time
      221480000   442960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79489e+03    1.94729e+04    1.31009e+04    1.22489e+03   -2.90068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83565e+03    9.30672e+04    3.98964e+05   -2.34157e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67359e+04   -2.44775e+06    4.79807e+05   -1.96794e+06    2.34573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11067e+02   -2.07809e+02    4.82198e+00    5.83354e-06


DD  step 221484999 load imb.: force 16.8%  pme mesh/force 0.769
           Step           Time
      221485000   442970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14046e+03    1.92981e+04    1.29536e+04    1.23827e+03   -3.00133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80614e+03    9.31330e+04    3.97701e+05   -2.33550e+04   -2.97357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64535e+04   -2.44620e+06    4.79220e+05   -1.96698e+06    2.34579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.06734e+02   -9.70701e+01    5.77165e-06


DD  step 221489999 load imb.: force 17.3%  pme mesh/force 0.788
           Step           Time
      221490000   442980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28081e+03    1.88959e+04    1.31200e+04    1.17874e+03   -3.08429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82549e+03    9.30909e+04    4.00929e+05   -2.33988e+04   -2.97775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64700e+04   -2.44744e+06    4.80655e+05   -1.96678e+06    2.34584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11617e+02   -2.07509e+02    3.52151e+01    5.73890e-06


DD  step 221494999 load imb.: force 17.7%  pme mesh/force 0.789
           Step           Time
      221495000   442990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04454e+03    1.96115e+04    1.31853e+04    1.14055e+03   -3.05228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92286e+03    9.26518e+04    4.01276e+05   -2.33630e+04   -2.97519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67136e+04   -2.44405e+06    4.81539e+05   -1.96252e+06    2.34591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12191e+02   -2.06876e+02    3.39598e+01    5.79273e-06


DD  step 221499999 load imb.: force 16.1%  pme mesh/force 0.760
           Step           Time
      221500000   443000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87725e+03    1.96283e+04    1.30589e+04    1.27255e+03   -2.99459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79596e+03    9.26844e+04    4.00091e+05   -2.33937e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66206e+04   -2.44798e+06    4.79248e+05   -1.96873e+06    2.34596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10705e+02   -2.07420e+02    5.00506e+01    5.70893e-06


DD  step 221504999 load imb.: force 17.6%  pme mesh/force 0.783
           Step           Time
      221505000   443010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97062e+03    1.96049e+04    1.30086e+04    1.21321e+03   -2.94591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93455e+03    9.29534e+04    3.99573e+05   -2.33963e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65101e+04   -2.44754e+06    4.80305e+05   -1.96724e+06    2.34603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11390e+02   -2.07465e+02   -2.62875e+01    5.69738e-06


DD  step 221509999 load imb.: force 16.8%  pme mesh/force 0.808
           Step           Time
      221510000   443020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81376e+03    1.96991e+04    1.30110e+04    1.17061e+03   -3.04381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89434e+03    9.33407e+04    3.99040e+05   -2.33348e+04   -2.97167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64945e+04   -2.44259e+06    4.81100e+05   -1.96149e+06    2.34608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11906e+02   -2.06377e+02   -1.27405e+01    5.90725e-06


DD  step 221514999 load imb.: force 17.9%  pme mesh/force 0.813
           Step           Time
      221515000   443030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06462e+03    1.92212e+04    1.29208e+04    1.19616e+03   -3.00350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84020e+03    9.35685e+04    3.99760e+05   -2.33902e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66981e+04   -2.44574e+06    4.80578e+05   -1.96516e+06    2.34614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11568e+02   -2.07357e+02   -4.44986e+01    5.96300e-06


DD  step 221519999 load imb.: force 18.8%  pme mesh/force 0.796
           Step           Time
      221520000   443040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91786e+03    1.95112e+04    1.28741e+04    1.19125e+03   -3.02516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91058e+03    9.29207e+04    4.00435e+05   -2.33699e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63268e+04   -2.44874e+06    4.80970e+05   -1.96777e+06    2.34620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11821e+02   -2.06999e+02    1.99957e+01    5.85520e-06


DD  step 221524999 load imb.: force 16.3%  pme mesh/force 0.739
           Step           Time
      221525000   443050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85337e+03    1.95882e+04    1.30711e+04    1.18135e+03   -3.00982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76897e+03    9.29993e+04    4.03479e+05   -2.34206e+04   -2.98114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65127e+04   -2.44812e+06    4.81912e+05   -1.96620e+06    2.34626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12432e+02   -2.07895e+02    9.00241e+01    5.73664e-06


DD  step 221529999 load imb.: force 17.4%  pme mesh/force 0.780
           Step           Time
      221530000   443060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03505e+03    1.93547e+04    1.30387e+04    1.28385e+03   -3.10066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86377e+03    9.31576e+04    4.01956e+05   -2.34063e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65413e+04   -2.44812e+06    4.79216e+05   -1.96890e+06    2.34632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.07642e+02    3.29714e+01    5.70471e-06


DD  step 221534999 load imb.: force 16.4%  pme mesh/force 0.755
           Step           Time
      221535000   443070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06720e+03    1.93779e+04    1.30422e+04    1.21026e+03   -3.05742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81372e+03    9.31708e+04    3.97851e+05   -2.33674e+04   -2.97301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65013e+04   -2.44540e+06    4.78501e+05   -1.96690e+06    2.34637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.06954e+02   -8.70822e+01    5.75629e-06


DD  step 221539999 load imb.: force 17.1%  pme mesh/force 0.809
           Step           Time
      221540000   443080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95566e+03    1.94802e+04    1.29347e+04    1.20402e+03   -3.07675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75774e+03    9.29051e+04    3.98230e+05   -2.33513e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63456e+04   -2.44943e+06    4.80057e+05   -1.96938e+06    2.34643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11229e+02   -2.06668e+02   -1.43654e+02    5.65990e-06


DD  step 221544999 load imb.: force 16.5%  pme mesh/force 0.794
           Step           Time
      221545000   443090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12314e+03    1.91195e+04    1.29840e+04    1.15740e+03   -3.05813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77110e+03    9.33212e+04    3.99593e+05   -2.33843e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62770e+04   -2.44760e+06    4.79400e+05   -1.96820e+06    2.34649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10804e+02   -2.07252e+02   -4.93132e+01    5.73226e-06


DD  step 221549999 load imb.: force 18.5%  pme mesh/force 0.803
           Step           Time
      221550000   443100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81431e+03    1.95913e+04    1.30385e+04    1.13815e+03   -3.10658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88667e+03    9.30609e+04    4.01757e+05   -2.34164e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61739e+04   -2.44818e+06    4.78850e+05   -1.96933e+06    2.34655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10447e+02   -2.07822e+02    5.15182e+01    5.82749e-06


DD  step 221554999 load imb.: force 17.5%  pme mesh/force 0.777
           Step           Time
      221555000   443110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04033e+03    1.90437e+04    1.28976e+04    1.09519e+03   -3.03055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81639e+03    9.32432e+04    3.99998e+05   -2.33531e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65871e+04   -2.44855e+06    4.81105e+05   -1.96745e+06    2.34661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11909e+02   -2.06700e+02   -5.58650e+01    5.74539e-06


DD  step 221559999 load imb.: force 16.4%  pme mesh/force 0.791
           Step           Time
      221560000   443120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88856e+03    1.94449e+04    1.30301e+04    1.14751e+03   -3.12991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81949e+03    9.34711e+04    3.97777e+05   -2.34156e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63432e+04   -2.44789e+06    4.79017e+05   -1.96887e+06    2.34667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.07808e+02   -6.04128e+01    5.60472e-06


DD  step 221564999 load imb.: force 17.1%  pme mesh/force 0.780
           Step           Time
      221565000   443130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15289e+03    1.95028e+04    1.32447e+04    1.19438e+03   -3.13750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79053e+03    9.30522e+04    3.98685e+05   -2.33554e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65486e+04   -2.44476e+06    4.80386e+05   -1.96437e+06    2.34673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11443e+02   -2.06742e+02   -6.38478e+01    5.49619e-06


DD  step 221569999 load imb.: force 16.2%  pme mesh/force 0.750
           Step           Time
      221570000   443140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05177e+03    1.94096e+04    1.30886e+04    1.21563e+03   -3.07985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76015e+03    9.32261e+04    3.97774e+05   -2.33933e+04   -2.97448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65665e+04   -2.44686e+06    4.79965e+05   -1.96690e+06    2.34678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11170e+02   -2.07412e+02   -3.98640e+01    5.64103e-06


DD  step 221574999 load imb.: force 16.3%  pme mesh/force 0.759
           Step           Time
      221575000   443150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37955e+03    1.90222e+04    1.30319e+04    1.21794e+03   -3.01180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79400e+03    9.31504e+04    3.97585e+05   -2.33418e+04   -2.97560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63788e+04   -2.44840e+06    4.78998e+05   -1.96940e+06    2.34684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10543e+02   -2.06502e+02   -1.30250e+02    5.85096e-06


DD  step 221579999 load imb.: force 16.8%  pme mesh/force 0.773
           Step           Time
      221580000   443160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11891e+03    1.94733e+04    1.29662e+04    1.24620e+03   -3.02583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83493e+03    9.25281e+04    3.97269e+05   -2.33587e+04   -2.97121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65150e+04   -2.44464e+06    4.78602e+05   -1.96604e+06    2.34690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10286e+02   -2.06800e+02   -1.26987e+02    5.87976e-06


DD  step 221584999 load imb.: force 17.9%  pme mesh/force 0.801
           Step           Time
      221585000   443170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14276e+03    1.90135e+04    1.29085e+04    1.09468e+03   -3.03928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98626e+03    9.28542e+04    4.00415e+05   -2.34023e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64517e+04   -2.44598e+06    4.79016e+05   -1.96696e+06    2.34696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.07572e+02    1.49085e+01    5.82310e-06


DD  step 221589999 load imb.: force 15.8%  pme mesh/force 0.760
           Step           Time
      221590000   443180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83545e+03    1.93327e+04    1.31088e+04    1.19162e+03   -3.00338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94270e+03    9.28405e+04    3.97691e+05   -2.33695e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64223e+04   -2.44755e+06    4.78138e+05   -1.96941e+06    2.34701e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09985e+02   -2.06991e+02   -9.61362e+01    5.79656e-06


DD  step 221594999 load imb.: force 18.1%  pme mesh/force 0.757
           Step           Time
      221595000   443190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17410e+03    1.95342e+04    1.27793e+04    1.14519e+03   -3.11299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66260e+03    9.26424e+04    3.98340e+05   -2.33713e+04   -2.97440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64679e+04   -2.44713e+06    4.81380e+05   -1.96575e+06    2.34707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12087e+02   -2.07023e+02   -6.10087e+01    5.75690e-06


DD  step 221599999 load imb.: force 17.8%  pme mesh/force 0.769
           Step           Time
      221600000   443200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85703e+03    1.97550e+04    1.29746e+04    1.21963e+03   -2.98865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84096e+03    9.26896e+04    4.00448e+05   -2.33987e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62772e+04   -2.44755e+06    4.77604e+05   -1.96995e+06    2.34714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09639e+02   -2.07509e+02    1.61698e+01    5.64554e-06


DD  step 221604999 load imb.: force 18.2%  pme mesh/force 0.808
           Step           Time
      221605000   443210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71477e+03    1.96148e+04    1.30268e+04    1.19294e+03   -3.12020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83663e+03    9.27110e+04    4.01193e+05   -2.33736e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65893e+04   -2.44787e+06    4.78668e+05   -1.96920e+06    2.34719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10329e+02   -2.07064e+02    5.27030e+01    5.80733e-06


DD  step 221609999 load imb.: force 18.1%  pme mesh/force 0.765
           Step           Time
      221610000   443220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12828e+03    1.92044e+04    1.32226e+04    1.21812e+03   -2.98929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97020e+03    9.23199e+04    4.01871e+05   -2.34352e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64952e+04   -2.44778e+06    4.80217e+05   -1.96757e+06    2.34725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.08154e+02    8.92069e+01    5.58520e-06


DD  step 221614999 load imb.: force 17.6%  pme mesh/force 0.762
           Step           Time
      221615000   443230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04601e+03    1.94996e+04    1.30068e+04    1.25605e+03   -3.09588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96372e+03    9.24488e+04    4.01499e+05   -2.33228e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65952e+04   -2.44598e+06    4.79991e+05   -1.96598e+06    2.34731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11186e+02   -2.06165e+02   -2.84618e+01    5.68800e-06


DD  step 221619999 load imb.: force 17.3%  pme mesh/force 0.756
           Step           Time
      221620000   443240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06404e+03    1.90688e+04    1.29929e+04    1.16947e+03   -3.00017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95978e+03    9.29194e+04    3.99584e+05   -2.33856e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63495e+04   -2.44899e+06    4.79313e+05   -1.96968e+06    2.34737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10747e+02   -2.07276e+02   -1.56475e+01    5.63625e-06


DD  step 221624999 load imb.: force 18.7%  pme mesh/force 0.770
           Step           Time
      221625000   443250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00849e+03    1.90591e+04    1.29356e+04    1.10353e+03   -3.12373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84693e+03    9.33089e+04    3.99356e+05   -2.34278e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64280e+04   -2.45107e+06    4.78412e+05   -1.97266e+06    2.34743e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10163e+02   -2.08024e+02   -1.96039e+01    5.81148e-06


DD  step 221629999 load imb.: force 17.4%  pme mesh/force 0.782
           Step           Time
      221630000   443260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70929e+03    1.95694e+04    1.30632e+04    1.11725e+03   -3.13627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97716e+03    9.26817e+04    4.01476e+05   -2.34018e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64626e+04   -2.44617e+06    4.79235e+05   -1.96693e+06    2.34748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.07563e+02    7.72926e+01    5.70320e-06


DD  step 221634999 load imb.: force 16.4%  pme mesh/force 0.756
           Step           Time
      221635000   443270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94552e+03    1.96388e+04    1.30137e+04    1.21925e+03   -3.11249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90430e+03    9.25258e+04    4.00845e+05   -2.33900e+04   -2.97401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63865e+04   -2.44404e+06    4.80789e+05   -1.96325e+06    2.34754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11704e+02   -2.07353e+02    7.04156e+01    5.68076e-06


DD  step 221639999 load imb.: force 19.5%  pme mesh/force 0.770
           Step           Time
      221640000   443280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84080e+03    1.93368e+04    1.30284e+04    1.21833e+03   -3.02523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81983e+03    9.33881e+04    4.01143e+05   -2.33792e+04   -2.97923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64697e+04   -2.44838e+06    4.79020e+05   -1.96936e+06    2.34760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.07163e+02   -1.25056e+01    5.58613e-06


DD  step 221644999 load imb.: force 19.0%  pme mesh/force 0.789
           Step           Time
      221645000   443290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01410e+03    1.94188e+04    1.27880e+04    1.14091e+03   -3.05926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81380e+03    9.22631e+04    3.97560e+05   -2.33713e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64530e+04   -2.44881e+06    4.77455e+05   -1.97135e+06    2.34766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09543e+02   -2.07023e+02   -1.01521e+02    5.72549e-06


DD  step 221649999 load imb.: force 19.4%  pme mesh/force 0.834
           Step           Time
      221650000   443300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11263e+03    1.92815e+04    1.30946e+04    1.16065e+03   -3.01968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84904e+03    9.23573e+04    3.99046e+05   -2.33874e+04   -2.97387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64718e+04   -2.44590e+06    4.79371e+05   -1.96653e+06    2.34772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10785e+02   -2.07309e+02   -4.49105e+01    5.62623e-06


DD  step 221654999 load imb.: force 18.2%  pme mesh/force 0.781
           Step           Time
      221655000   443310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01586e+03    1.91775e+04    1.29999e+04    1.23359e+03   -3.00664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91595e+03    9.27526e+04    4.01949e+05   -2.34243e+04   -2.97946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63807e+04   -2.44846e+06    4.79402e+05   -1.96906e+06    2.34778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.07962e+02    7.14541e+01    5.77399e-06


DD  step 221659999 load imb.: force 17.0%  pme mesh/force 0.740
           Step           Time
      221660000   443320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95930e+03    1.95186e+04    1.29431e+04    1.20845e+03   -3.04289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81747e+03    9.22048e+04    4.01298e+05   -2.34212e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64426e+04   -2.44870e+06    4.79059e+05   -1.96964e+06    2.34784e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.07906e+02    5.05348e+01    5.65652e-06


DD  step 221664999 load imb.: force 15.6%  pme mesh/force 0.755
           Step           Time
      221665000   443330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97180e+03    1.94310e+04    1.30158e+04    1.21055e+03   -3.07073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83811e+03    9.32398e+04    4.00487e+05   -2.33699e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65560e+04   -2.44774e+06    4.79363e+05   -1.96837e+06    2.34790e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.06998e+02   -1.11505e+01    5.64883e-06


DD  step 221669999 load imb.: force 17.2%  pme mesh/force 0.784
           Step           Time
      221670000   443340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99408e+03    1.90726e+04    1.30999e+04    1.18613e+03   -3.07656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88085e+03    9.28579e+04    4.03535e+05   -2.33699e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66846e+04   -2.44648e+06    4.79621e+05   -1.96686e+06    2.34796e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10947e+02   -2.06999e+02    9.67162e+01    5.66456e-06


DD  step 221674999 load imb.: force 17.7%  pme mesh/force 0.782
           Step           Time
      221675000   443350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23963e+03    1.90380e+04    1.31441e+04    1.21423e+03   -3.07049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78603e+03    9.32976e+04    4.00336e+05   -2.33766e+04   -2.97761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64484e+04   -2.44755e+06    4.79529e+05   -1.96803e+06    2.34801e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.07117e+02   -1.00605e+02    5.61589e-06


DD  step 221679999 load imb.: force 18.7%  pme mesh/force 0.799
           Step           Time
      221680000   443360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03850e+03    1.94402e+04    1.30137e+04    1.20354e+03   -3.11615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89119e+03    9.29994e+04    4.00268e+05   -2.34329e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65600e+04   -2.44780e+06    4.80355e+05   -1.96744e+06    2.34807e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11423e+02   -2.08114e+02   -7.77353e+00    5.78817e-06


DD  step 221684999 load imb.: force 18.4%  pme mesh/force 0.813
           Step           Time
      221685000   443370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05761e+03    1.96185e+04    1.29585e+04    1.28233e+03   -3.02113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79755e+03    9.28117e+04    4.00088e+05   -2.33737e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64276e+04   -2.44809e+06    4.81281e+05   -1.96681e+06    2.34813e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12023e+02   -2.07065e+02   -1.95517e+01    5.75191e-06


DD  step 221689999 load imb.: force 19.6%  pme mesh/force 0.770
           Step           Time
      221690000   443380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02217e+03    1.93271e+04    1.29035e+04    1.17406e+03   -3.00372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81116e+03    9.29110e+04    4.00471e+05   -2.33915e+04   -2.97796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64668e+04   -2.44826e+06    4.81257e+05   -1.96701e+06    2.34818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12008e+02   -2.07380e+02   -1.77303e+01    5.65200e-06


DD  step 221694999 load imb.: force 17.0%  pme mesh/force 0.778
           Step           Time
      221695000   443390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08906e+03    1.98419e+04    1.29925e+04    1.23095e+03   -2.97370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82170e+03    9.25902e+04    3.99165e+05   -2.33607e+04   -2.97425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64940e+04   -2.44536e+06    4.80457e+05   -1.96491e+06    2.34824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11489e+02   -2.06835e+02   -6.04484e+01    5.53684e-06


DD  step 221699999 load imb.: force 18.2%  pme mesh/force 0.807
           Step           Time
      221700000   443400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99312e+03    1.95072e+04    1.30580e+04    1.24595e+03   -3.00745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82108e+03    9.27925e+04    3.97115e+05   -2.33360e+04   -2.97190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66437e+04   -2.44507e+06    4.82942e+05   -1.96213e+06    2.34830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13100e+02   -2.06399e+02   -9.23095e+01    5.62774e-06


DD  step 221704999 load imb.: force 17.1%  pme mesh/force 0.777
           Step           Time
      221705000   443410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12064e+03    1.93663e+04    1.29838e+04    1.27482e+03   -3.02587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77372e+03    9.25275e+04    4.03428e+05   -2.34039e+04   -2.98028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66707e+04   -2.44756e+06    4.80288e+05   -1.96728e+06    2.34836e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.07600e+02    5.80049e+01    5.53692e-06


DD  step 221709999 load imb.: force 18.8%  pme mesh/force 0.826
           Step           Time
      221710000   443420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31124e+03    1.91963e+04    1.30760e+04    1.14033e+03   -3.06220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85556e+03    9.31914e+04    4.00081e+05   -2.34003e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65484e+04   -2.44706e+06    4.78852e+05   -1.96820e+06    2.34842e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10448e+02   -2.07537e+02   -4.62977e+01    5.65318e-06


DD  step 221714999 load imb.: force 18.3%  pme mesh/force 0.783
           Step           Time
      221715000   443430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06177e+03    1.92792e+04    1.29270e+04    1.21095e+03   -3.09030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93973e+03    9.30305e+04    3.98522e+05   -2.33868e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66466e+04   -2.44679e+06    4.80977e+05   -1.96581e+06    2.34848e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11826e+02   -2.07296e+02   -3.38534e+01    5.67445e-06


DD  step 221719999 load imb.: force 17.7%  pme mesh/force 0.794
           Step           Time
      221720000   443440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09638e+03    1.93528e+04    1.30576e+04    1.22588e+03   -3.04276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85571e+03    9.28904e+04    4.04038e+05   -2.33940e+04   -2.98015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65408e+04   -2.44653e+06    4.78357e+05   -1.96817e+06    2.34854e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10127e+02   -2.07425e+02    1.01916e+02    5.82898e-06


DD  step 221724999 load imb.: force 18.5%  pme mesh/force 0.791
           Step           Time
      221725000   443450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82600e+03    1.92402e+04    1.31463e+04    1.15022e+03   -3.04213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85367e+03    9.27685e+04    3.99046e+05   -2.33637e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66809e+04   -2.44692e+06    4.79115e+05   -1.96781e+06    2.34860e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10619e+02   -2.06889e+02   -3.08907e+01    5.71172e-06


DD  step 221729999 load imb.: force 15.8%  pme mesh/force 0.769
           Step           Time
      221730000   443460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94706e+03    1.92341e+04    1.29521e+04    1.28483e+03   -2.99580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95606e+03    9.27923e+04    4.00601e+05   -2.33509e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66401e+04   -2.44820e+06    4.80026e+05   -1.96817e+06    2.34865e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.06662e+02   -1.08901e+01    5.67020e-06


DD  step 221734999 load imb.: force 16.5%  pme mesh/force 0.777
           Step           Time
      221735000   443470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03752e+03    1.93331e+04    1.30155e+04    1.18659e+03   -3.08693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94421e+03    9.22983e+04    3.99712e+05   -2.33464e+04   -2.97238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64747e+04   -2.44381e+06    4.79315e+05   -1.96449e+06    2.34871e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10749e+02   -2.06582e+02    1.52818e+01    5.67528e-06


DD  step 221739999 load imb.: force 18.0%  pme mesh/force 0.814
           Step           Time
      221740000   443480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14071e+03    1.93366e+04    1.30506e+04    1.19177e+03   -3.01738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72163e+03    9.23802e+04    3.98225e+05   -2.33378e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64144e+04   -2.44832e+06    4.79773e+05   -1.96855e+06    2.34877e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11045e+02   -2.06431e+02   -1.25540e+02    5.81654e-06


DD  step 221744999 load imb.: force 17.8%  pme mesh/force 0.758
           Step           Time
      221745000   443490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95779e+03    1.90101e+04    1.29948e+04    1.16139e+03   -3.14488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93507e+03    9.29120e+04    4.01842e+05   -2.34361e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64040e+04   -2.44899e+06    4.79841e+05   -1.96914e+06    2.34882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11090e+02   -2.08171e+02    6.33252e+01    5.60992e-06


DD  step 221749999 load imb.: force 15.5%  pme mesh/force 0.755
           Step           Time
      221750000   443500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12263e+03    1.90517e+04    1.29818e+04    1.09630e+03   -3.03762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83853e+03    9.30978e+04    3.99474e+05   -2.34052e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65019e+04   -2.44783e+06    4.80323e+05   -1.96750e+06    2.34888e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11402e+02   -2.07623e+02   -4.10661e+01    5.65622e-06

Writing checkpoint, step 221754050 at Tue Nov  7 20:46:28 2023



DD  step 221754999 load imb.: force 18.7%  pme mesh/force 0.761
           Step           Time
      221755000   443510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00060e+03    1.91091e+04    1.30842e+04    1.21698e+03   -3.03792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95702e+03    9.31975e+04    3.99048e+05   -2.34140e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64049e+04   -2.44666e+06    4.79373e+05   -1.96729e+06    2.34895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.07779e+02    4.85934e+00    5.60855e-06


DD  step 221759999 load imb.: force 16.5%  pme mesh/force 0.774
           Step           Time
      221760000   443520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02043e+03    1.95711e+04    1.29639e+04    1.25963e+03   -3.03174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83542e+03    9.31074e+04    4.02368e+05   -2.33925e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64752e+04   -2.44450e+06    4.79680e+05   -1.96482e+06    2.34900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10985e+02   -2.07399e+02    1.07897e+02    5.55682e-06


DD  step 221764999 load imb.: force 17.7%  pme mesh/force 0.786
           Step           Time
      221765000   443530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92570e+03    1.90686e+04    1.30293e+04    1.21702e+03   -3.02623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83480e+03    9.32909e+04    4.00015e+05   -2.33299e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65589e+04   -2.44638e+06    4.81262e+05   -1.96512e+06    2.34906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12010e+02   -2.06290e+02   -3.04721e+01    5.69849e-06


DD  step 221769999 load imb.: force 16.0%  pme mesh/force 0.757
           Step           Time
      221770000   443540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22709e+03    1.95187e+04    1.27734e+04    1.14679e+03   -2.96468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70127e+03    9.22343e+04    3.99651e+05   -2.34052e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65552e+04   -2.44776e+06    4.78202e+05   -1.96956e+06    2.34912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10027e+02   -2.07622e+02   -2.41023e+01    5.56585e-06


DD  step 221774999 load imb.: force 16.2%  pme mesh/force 0.758
           Step           Time
      221775000   443550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78556e+03    1.94261e+04    1.29784e+04    1.17137e+03   -2.94565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86095e+03    9.27403e+04    4.02838e+05   -2.34016e+04   -2.97987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63342e+04   -2.44808e+06    4.79830e+05   -1.96825e+06    2.34917e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.07560e+02    1.17351e+02    5.69160e-06


DD  step 221779999 load imb.: force 16.1%  pme mesh/force 0.764
           Step           Time
      221780000   443560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99544e+03    1.93670e+04    1.29062e+04    1.16030e+03   -3.09658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94532e+03    9.32810e+04    3.99473e+05   -2.34042e+04   -2.97333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66507e+04   -2.44405e+06    4.77108e+05   -1.96695e+06    2.34924e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09318e+02   -2.07605e+02    1.29652e+01    5.60394e-06


DD  step 221784999 load imb.: force 16.0%  pme mesh/force 0.764
           Step           Time
      221785000   443570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83052e+03    1.95823e+04    1.30518e+04    1.19894e+03   -3.10512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87473e+03    9.25726e+04    3.99246e+05   -2.33844e+04   -2.97328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65100e+04   -2.44490e+06    4.78604e+05   -1.96630e+06    2.34929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10288e+02   -2.07254e+02    7.46765e-02    5.72975e-06


DD  step 221789999 load imb.: force 16.1%  pme mesh/force 0.759
           Step           Time
      221790000   443580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11046e+03    1.93730e+04    1.31257e+04    1.26456e+03   -3.04804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78216e+03    9.26157e+04    3.96293e+05   -2.33610e+04   -2.97171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65146e+04   -2.44604e+06    4.78750e+05   -1.96729e+06    2.34935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10382e+02   -2.06841e+02   -1.36980e+02    5.52114e-06


DD  step 221794999 load imb.: force 16.3%  pme mesh/force 0.744
           Step           Time
      221795000   443590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94399e+03    1.91906e+04    1.29944e+04    1.14828e+03   -3.02884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92358e+03    9.25938e+04    3.99342e+05   -2.33595e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66539e+04   -2.44879e+06    4.78998e+05   -1.96979e+06    2.34940e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10543e+02   -2.06815e+02   -5.97877e+01    5.69309e-06


DD  step 221799999 load imb.: force 19.7%  pme mesh/force 0.798
           Step           Time
      221800000   443600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97113e+03    1.91779e+04    1.29674e+04    1.12572e+03   -3.08948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88495e+03    9.28830e+04    4.01571e+05   -2.33695e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66224e+04   -2.44860e+06    4.78796e+05   -1.96980e+06    2.34946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10412e+02   -2.06992e+02    4.33372e+00    5.78018e-06


DD  step 221804999 load imb.: force 17.8%  pme mesh/force 0.789
           Step           Time
      221805000   443610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78402e+03    1.94635e+04    1.28772e+04    1.10526e+03   -3.01610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83720e+03    9.29230e+04    3.98813e+05   -2.33396e+04   -2.97528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65420e+04   -2.44729e+06    4.79150e+05   -1.96814e+06    2.34952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.06462e+02   -9.00863e+01    5.75535e-06


DD  step 221809999 load imb.: force 15.6%  pme mesh/force 0.751
           Step           Time
      221810000   443620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21487e+03    1.97104e+04    1.30335e+04    1.07219e+03   -3.02841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68308e+03    9.24685e+04    4.02200e+05   -2.33892e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65301e+04   -2.44813e+06    4.81497e+05   -1.96664e+06    2.34957e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12163e+02   -2.07340e+02   -1.54552e+00    5.61456e-06


DD  step 221814999 load imb.: force 16.7%  pme mesh/force 0.742
           Step           Time
      221815000   443630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88736e+03    1.95104e+04    1.29414e+04    1.15539e+03   -2.98988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73965e+03    9.26323e+04    3.99726e+05   -2.34031e+04   -2.97559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65452e+04   -2.44685e+06    4.77708e+05   -1.96914e+06    2.34964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09706e+02   -2.07586e+02   -2.70538e-01    5.68162e-06


DD  step 221819999 load imb.: force 15.6%  pme mesh/force 0.763
           Step           Time
      221820000   443640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87612e+03    1.96367e+04    1.29278e+04    1.16682e+03   -3.10651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86015e+03    9.26158e+04    4.02158e+05   -2.34295e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63870e+04   -2.44805e+06    4.80053e+05   -1.96800e+06    2.34969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.08054e+02    5.96971e+01    5.91675e-06


DD  step 221824999 load imb.: force 16.6%  pme mesh/force 0.765
           Step           Time
      221825000   443650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93882e+03    1.94232e+04    1.31383e+04    1.25969e+03   -3.12821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98606e+03    9.32009e+04    3.99585e+05   -2.33451e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62982e+04   -2.44752e+06    4.79896e+05   -1.96762e+06    2.34975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11125e+02   -2.06560e+02    1.12085e+01    5.83453e-06


DD  step 221829999 load imb.: force 17.2%  pme mesh/force 0.782
           Step           Time
      221830000   443660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69508e+03    1.91438e+04    1.26139e+04    1.16582e+03   -2.87473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85971e+03    9.29081e+04    4.01508e+05   -2.33786e+04   -2.98118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64048e+04   -2.45114e+06    4.79750e+05   -1.97139e+06    2.34980e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.07152e+02   -8.27264e+00    5.47525e-06


DD  step 221834999 load imb.: force 16.4%  pme mesh/force 0.760
           Step           Time
      221835000   443670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88946e+03    1.92923e+04    1.30757e+04    1.13189e+03   -3.07270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93451e+03    9.32810e+04    3.99826e+05   -2.33601e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64549e+04   -2.44841e+06    4.81925e+05   -1.96649e+06    2.34986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12440e+02   -2.06824e+02   -9.02510e+01    5.78214e-06


DD  step 221839999 load imb.: force 16.7%  pme mesh/force 0.752
           Step           Time
      221840000   443680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91840e+03    1.92664e+04    1.28181e+04    1.17692e+03   -3.00569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76161e+03    9.21476e+04    4.00404e+05   -2.34008e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64306e+04   -2.44896e+06    4.76625e+05   -1.97233e+06    2.34993e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09005e+02   -2.07544e+02   -6.26781e+01    5.69729e-06


DD  step 221844999 load imb.: force 17.1%  pme mesh/force 0.739
           Step           Time
      221845000   443690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93370e+03    1.95417e+04    1.29208e+04    1.10560e+03   -2.91206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93716e+03    9.28055e+04    4.00637e+05   -2.33704e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65077e+04   -2.44477e+06    4.80788e+05   -1.96398e+06    2.34998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11704e+02   -2.07007e+02    6.47088e+01    5.62402e-06


DD  step 221849999 load imb.: force 17.5%  pme mesh/force 0.774
           Step           Time
      221850000   443700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87360e+03    1.95173e+04    1.31724e+04    1.21860e+03   -3.00235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91153e+03    9.28397e+04    3.98601e+05   -2.33653e+04   -2.97392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66518e+04   -2.44550e+06    4.80423e+05   -1.96508e+06    2.35004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11467e+02   -2.06916e+02   -5.47843e+01    5.55823e-06


DD  step 221854999 load imb.: force 15.4%  pme mesh/force 0.741
           Step           Time
      221855000   443710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15632e+03    1.92956e+04    1.30550e+04    1.22032e+03   -3.04575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82801e+03    9.32902e+04    3.99847e+05   -2.33757e+04   -2.97548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65957e+04   -2.44562e+06    4.77852e+05   -1.96776e+06    2.35010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09800e+02   -2.07100e+02   -5.07839e+01    5.52864e-06


DD  step 221859999 load imb.: force 15.5%  pme mesh/force 0.733
           Step           Time
      221860000   443720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03252e+03    1.95636e+04    1.29207e+04    1.21007e+03   -3.15922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84270e+03    9.24217e+04    4.00001e+05   -2.34170e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62914e+04   -2.44754e+06    4.78042e+05   -1.96949e+06    2.35016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09923e+02   -2.07833e+02   -1.04067e+01    5.71288e-06


DD  step 221864999 load imb.: force 17.3%  pme mesh/force 0.743
           Step           Time
      221865000   443730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21644e+03    1.89307e+04    1.30476e+04    1.14920e+03   -2.98587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77925e+03    9.27232e+04    4.04266e+05   -2.34409e+04   -2.98173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65642e+04   -2.44848e+06    4.80329e+05   -1.96815e+06    2.35021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11406e+02   -2.08256e+02    9.44552e+01    5.71872e-06


DD  step 221869999 load imb.: force 14.9%  pme mesh/force 0.715
           Step           Time
      221870000   443740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10092e+03    1.91650e+04    1.30930e+04    1.20797e+03   -3.02800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87844e+03    9.28398e+04    3.98813e+05   -2.33448e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64427e+04   -2.44527e+06    4.79783e+05   -1.96549e+06    2.35027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.06554e+02   -6.00551e+01    5.78848e-06


DD  step 221874999 load imb.: force 16.9%  pme mesh/force 0.760
           Step           Time
      221875000   443750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04144e+03    1.93671e+04    1.32896e+04    1.17768e+03   -3.17900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83370e+03    9.29887e+04    3.99487e+05   -2.33740e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65962e+04   -2.44975e+06    4.80661e+05   -1.96909e+06    2.35033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11621e+02   -2.07070e+02   -5.36264e+01    5.84725e-06


DD  step 221879999 load imb.: force 18.6%  pme mesh/force 0.797
           Step           Time
      221880000   443760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82716e+03    1.93502e+04    1.30830e+04    1.20828e+03   -3.09366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86202e+03    9.29852e+04    4.01473e+05   -2.34373e+04   -2.98053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64888e+04   -2.44978e+06    4.77836e+05   -1.97195e+06    2.35039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09790e+02   -2.08193e+02    2.43263e+01    5.68300e-06


DD  step 221884999 load imb.: force 16.3%  pme mesh/force 0.741
           Step           Time
      221885000   443770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92675e+03    1.97314e+04    1.31827e+04    1.17905e+03   -3.07694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87218e+03    9.24311e+04    4.00553e+05   -2.34134e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66653e+04   -2.44633e+06    4.79535e+05   -1.96680e+06    2.35044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10891e+02   -2.07769e+02    6.89557e+01    5.61330e-06


DD  step 221889999 load imb.: force 15.1%  pme mesh/force 0.759
           Step           Time
      221890000   443780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08488e+03    1.94561e+04    1.30794e+04    1.11283e+03   -3.09680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86347e+03    9.29981e+04    4.00107e+05   -2.33967e+04   -2.97791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65097e+04   -2.44819e+06    4.78836e+05   -1.96936e+06    2.35050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10438e+02   -2.07473e+02   -5.75056e+01    5.73111e-06


DD  step 221894999 load imb.: force 17.6%  pme mesh/force 0.775
           Step           Time
      221895000   443790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08023e+03    1.93327e+04    1.29441e+04    1.14631e+03   -3.00454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86358e+03    9.29524e+04    4.03197e+05   -2.33544e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65656e+04   -2.44762e+06    4.78820e+05   -1.96880e+06    2.35056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10427e+02   -2.06725e+02    5.15674e+01    5.68308e-06


DD  step 221899999 load imb.: force 18.4%  pme mesh/force 0.735
           Step           Time
      221900000   443800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94782e+03    1.94656e+04    1.29514e+04    1.28367e+03   -3.06977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88659e+03    9.34192e+04    4.00316e+05   -2.34190e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65489e+04   -2.44640e+06    4.78136e+05   -1.96827e+06    2.35062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09984e+02   -2.07867e+02    6.54861e+01    5.71836e-06


DD  step 221904999 load imb.: force 16.5%  pme mesh/force 0.765
           Step           Time
      221905000   443810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10989e+03    1.95139e+04    1.28531e+04    1.09035e+03   -3.04652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73544e+03    9.33351e+04    4.01722e+05   -2.34107e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64705e+04   -2.44883e+06    4.78089e+05   -1.97074e+06    2.35068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09954e+02   -2.07720e+02    2.04535e+01    5.82845e-06


DD  step 221909999 load imb.: force 17.1%  pme mesh/force 0.741
           Step           Time
      221910000   443820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07863e+03    1.94654e+04    1.29809e+04    1.16284e+03   -2.90144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69201e+03    9.27544e+04    4.00166e+05   -2.33545e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64976e+04   -2.44878e+06    4.78797e+05   -1.96998e+06    2.35074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10412e+02   -2.06726e+02   -6.39774e+01    5.81219e-06


DD  step 221914999 load imb.: force 15.6%  pme mesh/force 0.748
           Step           Time
      221915000   443830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95467e+03    1.91931e+04    1.28714e+04    1.25684e+03   -3.10806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87031e+03    9.31897e+04    3.98998e+05   -2.33400e+04   -2.97340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64175e+04   -2.44510e+06    4.79327e+05   -1.96577e+06    2.35079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10757e+02   -2.06470e+02   -5.42413e+01    5.75795e-06


DD  step 221919999 load imb.: force 15.8%  pme mesh/force 0.754
           Step           Time
      221920000   443840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05514e+03    1.93465e+04    1.30132e+04    1.22666e+03   -3.03132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80642e+03    9.29543e+04    3.99833e+05   -2.33826e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66196e+04   -2.44741e+06    4.77645e+05   -1.96976e+06    2.35086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09666e+02   -2.07223e+02   -4.22650e+01    5.57148e-06


DD  step 221924999 load imb.: force 15.8%  pme mesh/force 0.701
           Step           Time
      221925000   443850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23238e+03    1.97173e+04    1.29443e+04    1.26433e+03   -2.96113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75532e+03    9.26840e+04    3.99986e+05   -2.34051e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63013e+04   -2.44456e+06    4.82179e+05   -1.96239e+06    2.35091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12605e+02   -2.07621e+02    1.69220e+01    5.68804e-06


DD  step 221929999 load imb.: force 16.1%  pme mesh/force 0.750
           Step           Time
      221930000   443860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25570e+03    1.91912e+04    1.29524e+04    1.21544e+03   -3.13228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84029e+03    9.30210e+04    3.99889e+05   -2.33924e+04   -2.97496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64182e+04   -2.44571e+06    4.80327e+05   -1.96538e+06    2.35097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.07396e+02   -3.13400e+01    5.73070e-06


DD  step 221934999 load imb.: force 15.4%  pme mesh/force 0.746
           Step           Time
      221935000   443870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98097e+03    1.96270e+04    1.29120e+04    1.19242e+03   -2.93529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78345e+03    9.32957e+04    3.99133e+05   -2.33611e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65034e+04   -2.44668e+06    4.80528e+05   -1.96615e+06    2.35103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.06843e+02   -6.23308e+01    5.70659e-06


DD  step 221939999 load imb.: force 19.3%  pme mesh/force 0.735
           Step           Time
      221940000   443880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96533e+03    1.93109e+04    1.29268e+04    1.19315e+03   -2.98312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79255e+03    9.32368e+04    4.00039e+05   -2.33399e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63173e+04   -2.44916e+06    4.78823e+05   -1.97034e+06    2.35109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10430e+02   -2.06468e+02   -8.03222e+01    5.66216e-06


DD  step 221944999 load imb.: force 16.1%  pme mesh/force 0.734
           Step           Time
      221945000   443890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73290e+03    1.91973e+04    1.31383e+04    1.19305e+03   -2.99866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91736e+03    9.30599e+04    4.00998e+05   -2.33852e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65552e+04   -2.44687e+06    4.77021e+05   -1.96985e+06    2.35115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09261e+02   -2.07269e+02    1.42796e+01    5.55088e-06


DD  step 221949999 load imb.: force 14.9%  pme mesh/force 0.741
           Step           Time
      221950000   443900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87512e+03    1.95495e+04    1.30593e+04    1.09917e+03   -3.00256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77123e+03    9.29632e+04    4.01147e+05   -2.33619e+04   -2.98049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64928e+04   -2.44990e+06    4.76122e+05   -1.97378e+06    2.35121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08678e+02   -2.06857e+02   -3.57864e+01    5.55155e-06


DD  step 221954999 load imb.: force 18.2%  pme mesh/force 0.745
           Step           Time
      221955000   443910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93834e+03    1.89612e+04    1.31988e+04    1.28451e+03   -3.04941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90679e+03    9.33867e+04    3.99644e+05   -2.33632e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65348e+04   -2.44464e+06    4.79867e+05   -1.96477e+06    2.35126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11106e+02   -2.06879e+02   -7.70786e+00    5.76244e-06


DD  step 221959999 load imb.: force 15.7%  pme mesh/force 0.732
           Step           Time
      221960000   443920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97977e+03    1.93873e+04    1.28013e+04    1.12710e+03   -2.95424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90078e+03    9.31990e+04    4.02751e+05   -2.33861e+04   -2.98116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63102e+04   -2.44905e+06    4.78533e+05   -1.97052e+06    2.35132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.07284e+02    5.57506e+01    5.71685e-06


DD  step 221964999 load imb.: force 15.3%  pme mesh/force 0.750
           Step           Time
      221965000   443930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86250e+03    1.97484e+04    1.30496e+04    1.17515e+03   -3.11395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73560e+03    9.32651e+04    3.96864e+05   -2.33726e+04   -2.97236e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65899e+04   -2.44555e+06    4.79364e+05   -1.96619e+06    2.35138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.07045e+02   -1.02318e+02    5.78614e-06


DD  step 221969999 load imb.: force 16.2%  pme mesh/force 0.748
           Step           Time
      221970000   443940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11146e+03    1.97560e+04    1.31230e+04    1.17318e+03   -3.01655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79481e+03    9.28921e+04    4.00095e+05   -2.33385e+04   -2.97539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65751e+04   -2.44522e+06    4.81335e+05   -1.96389e+06    2.35144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12058e+02   -2.06443e+02   -4.12457e+01    5.83156e-06


DD  step 221974999 load imb.: force 19.2%  pme mesh/force 0.754
           Step           Time
      221975000   443950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92004e+03    1.95906e+04    1.27781e+04    1.24399e+03   -3.04900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84827e+03    9.28562e+04    3.99057e+05   -2.33456e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66245e+04   -2.44685e+06    4.80266e+05   -1.96659e+06    2.35149e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11365e+02   -2.06568e+02   -6.00871e+01    5.78074e-06


DD  step 221979999 load imb.: force 19.8%  pme mesh/force 0.815
           Step           Time
      221980000   443960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97618e+03    1.93142e+04    1.29938e+04    1.20225e+03   -3.10645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84248e+03    9.24865e+04    3.98112e+05   -2.33891e+04   -2.97151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65045e+04   -2.44457e+06    4.79410e+05   -1.96516e+06    2.35155e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.07338e+02   -2.61288e+01    5.69316e-06


DD  step 221984999 load imb.: force 16.1%  pme mesh/force 0.755
           Step           Time
      221985000   443970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94023e+03    1.94771e+04    1.29362e+04    1.14367e+03   -3.09580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81690e+03    9.26629e+04    3.98513e+05   -2.33789e+04   -2.97284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64912e+04   -2.44533e+06    4.79134e+05   -1.96620e+06    2.35161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10631e+02   -2.07158e+02   -5.71385e+01    5.71779e-06


DD  step 221989999 load imb.: force 17.7%  pme mesh/force 0.793
           Step           Time
      221990000   443980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07953e+03    1.91166e+04    1.27882e+04    1.12311e+03   -3.08319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84053e+03    9.31028e+04    4.01756e+05   -2.33379e+04   -2.98019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63930e+04   -2.44941e+06    4.78550e+05   -1.97086e+06    2.35167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.06432e+02   -3.07500e+01    5.74764e-06


DD  step 221994999 load imb.: force 18.7%  pme mesh/force 0.763
           Step           Time
      221995000   443990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98197e+03    1.98022e+04    1.30703e+04    1.25793e+03   -3.02171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87952e+03    9.30114e+04    3.99193e+05   -2.33832e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65227e+04   -2.44655e+06    4.79868e+05   -1.96668e+06    2.35174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11107e+02   -2.07234e+02    5.12099e+00    5.75099e-06


DD  step 221999999 load imb.: force 17.9%  pme mesh/force 0.804
           Step           Time
      222000000   444000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97829e+03    1.95006e+04    1.30014e+04    1.08984e+03   -2.96314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81591e+03    9.33443e+04    4.00236e+05   -2.33978e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65324e+04   -2.44538e+06    4.79141e+05   -1.96624e+06    2.35179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.07492e+02   -3.64828e+01    5.80327e-06


DD  step 222004999 load imb.: force 16.8%  pme mesh/force 0.714
           Step           Time
      222005000   444010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67008e+03    1.97561e+04    1.31143e+04    1.19438e+03   -2.90992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96419e+03    9.30407e+04    4.02143e+05   -2.34440e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64012e+04   -2.44736e+06    4.80293e+05   -1.96707e+06    2.35185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11382e+02   -2.08312e+02    1.15373e+02    5.63294e-06


DD  step 222009999 load imb.: force 16.0%  pme mesh/force 0.761
           Step           Time
      222010000   444020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09940e+03    1.91009e+04    1.30437e+04    1.16240e+03   -2.98057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78098e+03    9.30970e+04    4.00959e+05   -2.33553e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64275e+04   -2.44640e+06    4.77678e+05   -1.96872e+06    2.35191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09688e+02   -2.06740e+02    1.73030e+01    5.84860e-06


DD  step 222014999 load imb.: force 15.7%  pme mesh/force 0.712
           Step           Time
      222015000   444030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94226e+03    1.92590e+04    1.31679e+04    1.25005e+03   -3.04630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83305e+03    9.29246e+04    3.98322e+05   -2.33813e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62849e+04   -2.44878e+06    4.77853e+05   -1.97092e+06    2.35197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09801e+02   -2.07200e+02   -9.08961e+01    5.75609e-06


DD  step 222019999 load imb.: force 17.5%  pme mesh/force 0.749
           Step           Time
      222020000   444040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12510e+03    1.94197e+04    1.30798e+04    1.20809e+03   -2.97995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83527e+03    9.30053e+04    4.02097e+05   -2.33907e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65523e+04   -2.44646e+06    4.82314e+05   -1.96414e+06    2.35202e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12693e+02   -2.07365e+02    7.47203e+01    5.68134e-06


DD  step 222024999 load imb.: force 16.2%  pme mesh/force 0.749
           Step           Time
      222025000   444050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72904e+03    1.96482e+04    1.30627e+04    1.25211e+03   -3.04820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92966e+03    9.32676e+04    4.00186e+05   -2.34020e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63982e+04   -2.44709e+06    4.79091e+05   -1.96800e+06    2.35208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10603e+02   -2.07567e+02    6.67263e+01    5.67892e-06


DD  step 222029999 load imb.: force 17.9%  pme mesh/force 0.790
           Step           Time
      222030000   444060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99639e+03    1.93621e+04    1.28421e+04    1.13787e+03   -2.91617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76970e+03    9.32191e+04    3.98731e+05   -2.34170e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62835e+04   -2.44920e+06    4.79769e+05   -1.96943e+06    2.35214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11043e+02   -2.07832e+02   -9.31590e+01    5.66072e-06


DD  step 222034999 load imb.: force 16.6%  pme mesh/force 0.738
           Step           Time
      222035000   444070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06764e+03    1.90917e+04    1.30692e+04    1.20961e+03   -3.00213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84250e+03    9.30280e+04    4.01706e+05   -2.33916e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64963e+04   -2.44757e+06    4.80806e+05   -1.96676e+06    2.35219e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11715e+02   -2.07382e+02    2.02375e+01    5.63712e-06


DD  step 222039999 load imb.: force 17.9%  pme mesh/force 0.773
           Step           Time
      222040000   444080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10147e+03    1.94142e+04    1.29442e+04    1.24641e+03   -3.05578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72753e+03    9.32566e+04    3.97239e+05   -2.33664e+04   -2.97192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66348e+04   -2.44478e+06    4.80762e+05   -1.96402e+06    2.35225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11687e+02   -2.06936e+02   -1.22500e+02    5.71786e-06


DD  step 222044999 load imb.: force 17.9%  pme mesh/force 0.785
           Step           Time
      222045000   444090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06471e+03    1.91872e+04    1.28833e+04    1.16228e+03   -2.95429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85503e+03    9.35025e+04    3.97133e+05   -2.33237e+04   -2.97173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66472e+04   -2.44457e+06    4.77739e+05   -1.96683e+06    2.35231e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09727e+02   -2.06182e+02   -1.11443e+02    5.72116e-06


DD  step 222049999 load imb.: force 16.3%  pme mesh/force 0.762
           Step           Time
      222050000   444100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92052e+03    1.91574e+04    1.30101e+04    1.20879e+03   -3.02027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83217e+03    9.30004e+04    3.98294e+05   -2.33737e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66252e+04   -2.44859e+06    4.78164e+05   -1.97043e+06    2.35237e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10002e+02   -2.07066e+02   -2.46419e+01    5.72259e-06


DD  step 222054999 load imb.: force 17.5%  pme mesh/force 0.775
           Step           Time
      222055000   444110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20442e+03    1.96608e+04    1.30339e+04    1.25717e+03   -2.99176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66265e+03    9.29536e+04    4.00141e+05   -2.33441e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65281e+04   -2.44655e+06    4.80094e+05   -1.96646e+06    2.35242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11253e+02   -2.06542e+02   -9.34272e+01    5.72454e-06


DD  step 222059999 load imb.: force 16.6%  pme mesh/force 0.785
           Step           Time
      222060000   444120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13511e+03    1.93391e+04    1.30039e+04    1.14630e+03   -2.98438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76689e+03    9.32094e+04    3.98523e+05   -2.34189e+04   -2.97277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63731e+04   -2.44468e+06    4.79500e+05   -1.96518e+06    2.35248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.07866e+02   -5.05954e+01    5.77649e-06


DD  step 222064999 load imb.: force 15.5%  pme mesh/force 0.753
           Step           Time
      222065000   444130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79379e+03    1.90152e+04    1.29498e+04    1.11813e+03   -2.91748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91322e+03    9.26825e+04    4.01773e+05   -2.34272e+04   -2.98037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64313e+04   -2.45004e+06    4.77640e+05   -1.97240e+06    2.35254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09663e+02   -2.08013e+02    5.46547e+01    5.89490e-06


DD  step 222069999 load imb.: force 16.6%  pme mesh/force 0.746
           Step           Time
      222070000   444140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99544e+03    1.93058e+04    1.28888e+04    1.21152e+03   -3.00587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76445e+03    9.32757e+04    4.02039e+05   -2.33806e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66605e+04   -2.44705e+06    4.78245e+05   -1.96880e+06    2.35260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10055e+02   -2.07188e+02    1.99560e+01    5.58525e-06


DD  step 222074999 load imb.: force 15.7%  pme mesh/force 0.749
           Step           Time
      222075000   444150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07307e+03    1.93470e+04    1.29416e+04    1.21016e+03   -3.11217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86193e+03    9.31946e+04    4.04734e+05   -2.33652e+04   -2.98272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65361e+04   -2.44830e+06    4.79956e+05   -1.96834e+06    2.35266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11164e+02   -2.06916e+02    8.73107e+01    5.74308e-06


DD  step 222079999 load imb.: force 15.6%  pme mesh/force 0.732
           Step           Time
      222080000   444160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83366e+03    1.94604e+04    1.32307e+04    1.13613e+03   -3.02456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81499e+03    9.30270e+04    3.97890e+05   -2.33975e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64526e+04   -2.44608e+06    4.80519e+05   -1.96556e+06    2.35271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11529e+02   -2.07487e+02   -3.62789e+01    5.85755e-06


DD  step 222084999 load imb.: force 16.9%  pme mesh/force 0.750
           Step           Time
      222085000   444170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01352e+03    1.97255e+04    1.29858e+04    1.20243e+03   -3.14007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84718e+03    9.29121e+04    3.99790e+05   -2.33548e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65282e+04   -2.44603e+06    4.81627e+05   -1.96440e+06    2.35277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12248e+02   -2.06731e+02    6.95331e+00    5.82123e-06

Writing checkpoint, step 222087000 at Tue Nov  7 21:01:28 2023



DD  step 222089999 load imb.: force 19.3%  pme mesh/force 0.825
           Step           Time
      222090000   444180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18868e+03    1.96606e+04    1.29752e+04    1.23420e+03   -3.09835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85277e+03    9.25524e+04    4.00417e+05   -2.33458e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65244e+04   -2.44756e+06    4.79587e+05   -1.96797e+06    2.35283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.06571e+02   -3.60039e+01    5.82134e-06


DD  step 222094999 load imb.: force 16.7%  pme mesh/force 0.774
           Step           Time
      222095000   444190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18853e+03    1.91830e+04    1.31472e+04    1.18833e+03   -3.06220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83000e+03    9.28498e+04    3.99252e+05   -2.33974e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65373e+04   -2.44668e+06    4.80174e+05   -1.96651e+06    2.35289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11306e+02   -2.07486e+02   -3.40376e+01    5.71092e-06


DD  step 222099999 load imb.: force 19.0%  pme mesh/force 0.802
           Step           Time
      222100000   444200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94491e+03    1.94869e+04    1.30614e+04    1.18248e+03   -3.02578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72316e+03    9.31803e+04    3.99920e+05   -2.33852e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64984e+04   -2.44808e+06    4.78621e+05   -1.96946e+06    2.35295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.07269e+02   -3.90654e+01    5.87171e-06


DD  step 222104999 load imb.: force 15.2%  pme mesh/force 0.730
           Step           Time
      222105000   444210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85006e+03    1.93982e+04    1.28291e+04    1.28285e+03   -3.06944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87808e+03    9.26935e+04    4.01310e+05   -2.34249e+04   -2.97420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67163e+04   -2.44373e+06    4.79842e+05   -1.96389e+06    2.35300e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11090e+02   -2.07972e+02    1.07830e+02    5.62215e-06


DD  step 222109999 load imb.: force 16.9%  pme mesh/force 0.753
           Step           Time
      222110000   444220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93877e+03    1.91281e+04    1.29626e+04    1.19782e+03   -3.01543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87085e+03    9.26918e+04    4.02708e+05   -2.33878e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64205e+04   -2.44748e+06    4.79853e+05   -1.96762e+06    2.35306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11097e+02   -2.07315e+02    1.22176e+02    5.88052e-06


DD  step 222114999 load imb.: force 18.1%  pme mesh/force 0.755
           Step           Time
      222115000   444230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99582e+03    1.94180e+04    1.30137e+04    1.19802e+03   -3.02938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84256e+03    9.25620e+04    4.00863e+05   -2.33286e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62334e+04   -2.44647e+06    4.79919e+05   -1.96655e+06    2.35312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11140e+02   -2.06268e+02   -1.54105e+01    6.02535e-06


DD  step 222119999 load imb.: force 16.5%  pme mesh/force 0.749
           Step           Time
      222120000   444240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88254e+03    1.92150e+04    1.28746e+04    1.21608e+03   -3.08600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78970e+03    9.34616e+04    4.01008e+05   -2.33406e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62369e+04   -2.44934e+06    4.79050e+05   -1.97029e+06    2.35318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.06479e+02   -4.50665e+01    5.68005e-06


DD  step 222124999 load imb.: force 18.6%  pme mesh/force 0.770
           Step           Time
      222125000   444250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81291e+03    1.92981e+04    1.31663e+04    1.15562e+03   -3.01666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89737e+03    9.32682e+04    3.98575e+05   -2.34027e+04   -2.97435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67206e+04   -2.44588e+06    4.79836e+05   -1.96604e+06    2.35323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11086e+02   -2.07578e+02    1.89472e+01    5.75642e-06


DD  step 222129999 load imb.: force 17.9%  pme mesh/force 0.807
           Step           Time
      222130000   444260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09733e+03    1.94285e+04    1.31219e+04    1.27982e+03   -3.11626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80006e+03    9.24681e+04    4.03967e+05   -2.34058e+04   -2.98112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64089e+04   -2.44807e+06    4.78432e+05   -1.96964e+06    2.35329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10176e+02   -2.07634e+02    6.83439e+01    5.75327e-06


DD  step 222134999 load imb.: force 17.6%  pme mesh/force 0.776
           Step           Time
      222135000   444270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87473e+03    1.95435e+04    1.30067e+04    1.21905e+03   -3.01041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88877e+03    9.30574e+04    3.99361e+05   -2.34161e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64154e+04   -2.44818e+06    4.78827e+05   -1.96935e+06    2.35335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10432e+02   -2.07817e+02   -8.77136e-01    5.70705e-06


DD  step 222139999 load imb.: force 17.6%  pme mesh/force 0.762
           Step           Time
      222140000   444280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14107e+03    1.94670e+04    1.30004e+04    1.20116e+03   -3.03835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83629e+03    9.29858e+04    4.00820e+05   -2.33493e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64863e+04   -2.44589e+06    4.82420e+05   -1.96347e+06    2.35341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12762e+02   -2.06633e+02    1.72794e+01    5.81956e-06


DD  step 222144999 load imb.: force 16.3%  pme mesh/force 0.735
           Step           Time
      222145000   444290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80931e+03    1.96547e+04    1.30428e+04    1.22171e+03   -3.05173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80753e+03    9.34881e+04    4.02577e+05   -2.33732e+04   -2.98123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64719e+04   -2.44858e+06    4.81719e+05   -1.96686e+06    2.35346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12307e+02   -2.07056e+02    5.79486e+01    5.87425e-06


DD  step 222149999 load imb.: force 15.9%  pme mesh/force 0.747
           Step           Time
      222150000   444300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18114e+03    1.93615e+04    1.30597e+04    1.21150e+03   -3.12444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79433e+03    9.30945e+04    4.01237e+05   -2.33173e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66049e+04   -2.44693e+06    4.81196e+05   -1.96573e+06    2.35352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11968e+02   -2.06069e+02   -5.70280e+01    5.85917e-06


DD  step 222154999 load imb.: force 18.8%  pme mesh/force 0.800
           Step           Time
      222155000   444310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85149e+03    2.00067e+04    1.31752e+04    1.20620e+03   -3.03440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90981e+03    9.30641e+04    4.00710e+05   -2.33767e+04   -2.97681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65031e+04   -2.44579e+06    4.81517e+05   -1.96428e+06    2.35358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.07118e+02    4.73506e+00    5.67639e-06


DD  step 222159999 load imb.: force 17.9%  pme mesh/force 0.752
           Step           Time
      222160000   444320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78467e+03    1.91823e+04    1.30315e+04    1.17696e+03   -3.12939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94667e+03    9.31905e+04    4.00594e+05   -2.33645e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64946e+04   -2.44721e+06    4.77907e+05   -1.96930e+06    2.35363e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09836e+02   -2.06902e+02    3.38131e+01    5.85645e-06


DD  step 222164999 load imb.: force 15.9%  pme mesh/force 0.719
           Step           Time
      222165000   444330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89059e+03    1.93114e+04    1.29834e+04    1.15063e+03   -3.08240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87350e+03    9.31715e+04    4.01315e+05   -2.33784e+04   -2.97830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65661e+04   -2.44750e+06    4.80763e+05   -1.96674e+06    2.35370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11687e+02   -2.07149e+02   -9.36540e+00    5.74141e-06


DD  step 222169999 load imb.: force 15.7%  pme mesh/force 0.739
           Step           Time
      222170000   444340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06177e+03    1.92760e+04    1.31392e+04    1.15769e+03   -2.99628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96874e+03    9.33645e+04    4.01394e+05   -2.33920e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63998e+04   -2.44674e+06    4.81720e+05   -1.96502e+06    2.35376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12308e+02   -2.07389e+02    7.86433e+01    5.79444e-06


DD  step 222174999 load imb.: force 15.0%  pme mesh/force 0.733
           Step           Time
      222175000   444350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98870e+03    1.95203e+04    1.30145e+04    1.14529e+03   -2.99288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83178e+03    9.29378e+04    4.02770e+05   -2.33395e+04   -2.97797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62679e+04   -2.44582e+06    4.78583e+05   -1.96724e+06    2.35381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10274e+02   -2.06461e+02    3.65332e+01    5.60152e-06


DD  step 222179999 load imb.: force 16.8%  pme mesh/force 0.726
           Step           Time
      222180000   444360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84088e+03    1.89766e+04    1.29063e+04    1.23587e+03   -3.03783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87280e+03    9.35115e+04    4.00692e+05   -2.33477e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65712e+04   -2.44665e+06    4.77312e+05   -1.96934e+06    2.35387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09450e+02   -2.06606e+02    2.77151e+00    5.76065e-06


DD  step 222184999 load imb.: force 16.3%  pme mesh/force 0.742
           Step           Time
      222185000   444370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91037e+03    1.96628e+04    1.29536e+04    1.12829e+03   -3.10034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90777e+03    9.24436e+04    4.00203e+05   -2.33310e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64848e+04   -2.44730e+06    4.79358e+05   -1.96794e+06    2.35393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.06311e+02   -2.45537e+01    5.78348e-06


DD  step 222189999 load imb.: force 16.5%  pme mesh/force 0.751
           Step           Time
      222190000   444380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82512e+03    1.92010e+04    1.30254e+04    1.20006e+03   -3.08683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93882e+03    9.33504e+04    4.01462e+05   -2.33552e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63430e+04   -2.44688e+06    4.78293e+05   -1.96859e+06    2.35399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10086e+02   -2.06738e+02    5.10729e+01    5.69903e-06


DD  step 222194999 load imb.: force 16.3%  pme mesh/force 0.777
           Step           Time
      222195000   444390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00739e+03    1.88081e+04    1.30445e+04    1.21980e+03   -2.99575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89440e+03    9.30972e+04    4.01199e+05   -2.33621e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63171e+04   -2.44878e+06    4.78944e+05   -1.96983e+06    2.35404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10508e+02   -2.06860e+02    2.43061e+01    5.80681e-06


DD  step 222199999 load imb.: force 15.9%  pme mesh/force 0.740
           Step           Time
      222200000   444400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20334e+03    1.91969e+04    1.29969e+04    1.21627e+03   -3.05845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76872e+03    9.30496e+04    3.98976e+05   -2.34077e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61597e+04   -2.44947e+06    4.78688e+05   -1.97078e+06    2.35410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10342e+02   -2.07668e+02   -7.52427e+01    5.77561e-06


DD  step 222204999 load imb.: force 17.2%  pme mesh/force 0.787
           Step           Time
      222205000   444410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83123e+03    1.92618e+04    1.29687e+04    1.15195e+03   -2.98844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87711e+03    9.35161e+04    3.99900e+05   -2.33740e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65553e+04   -2.44631e+06    4.78756e+05   -1.96755e+06    2.35416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.07071e+02   -1.17364e+01    5.72609e-06


DD  step 222209999 load imb.: force 16.4%  pme mesh/force 0.769
           Step           Time
      222210000   444420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38353e+03    1.93475e+04    1.30392e+04    1.24289e+03   -3.00866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90318e+03    9.29816e+04    3.96715e+05   -2.33711e+04   -2.97091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66627e+04   -2.44402e+06    4.78430e+05   -1.96559e+06    2.35422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10175e+02   -2.07020e+02   -1.28646e+02    5.65621e-06


DD  step 222214999 load imb.: force 16.1%  pme mesh/force 0.772
           Step           Time
      222215000   444430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26293e+03    1.96326e+04    1.30799e+04    1.16866e+03   -3.13599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78907e+03    9.31077e+04    4.02618e+05   -2.33687e+04   -2.97999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63534e+04   -2.44748e+06    4.80313e+05   -1.96717e+06    2.35428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11395e+02   -2.06976e+02   -1.11940e+00    5.71874e-06


DD  step 222219999 load imb.: force 17.5%  pme mesh/force 0.768
           Step           Time
      222220000   444440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80923e+03    1.94031e+04    1.30565e+04    1.17441e+03   -3.14337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89448e+03    9.32142e+04    4.02068e+05   -2.33896e+04   -2.97974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63487e+04   -2.44831e+06    4.78518e+05   -1.96979e+06    2.35434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10232e+02   -2.07346e+02    6.69523e+01    5.85827e-06


DD  step 222224999 load imb.: force 16.7%  pme mesh/force 0.781
           Step           Time
      222225000   444450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05570e+03    1.93744e+04    1.29652e+04    1.24526e+03   -3.13542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86929e+03    9.30896e+04    4.00905e+05   -2.33675e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67023e+04   -2.44930e+06    4.78294e+05   -1.97100e+06    2.35439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10086e+02   -2.06955e+02   -4.29171e+01    5.83512e-06


DD  step 222229999 load imb.: force 17.2%  pme mesh/force 0.769
           Step           Time
      222230000   444460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98514e+03    1.92771e+04    1.30580e+04    1.25344e+03   -3.04149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86766e+03    9.30569e+04    3.99324e+05   -2.33763e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66592e+04   -2.44599e+06    4.80474e+05   -1.96552e+06    2.35445e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11500e+02   -2.07111e+02    1.13453e+01    6.00174e-06


DD  step 222234999 load imb.: force 17.0%  pme mesh/force 0.750
           Step           Time
      222235000   444470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03468e+03    1.94419e+04    1.30021e+04    1.16758e+03   -3.03354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79089e+03    9.33303e+04    3.98869e+05   -2.33624e+04   -2.97517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64907e+04   -2.44644e+06    4.80632e+05   -1.96581e+06    2.35451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11602e+02   -2.06866e+02   -6.10740e+01    5.74500e-06


DD  step 222239999 load imb.: force 16.2%  pme mesh/force 0.773
           Step           Time
      222240000   444480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05510e+03    1.90961e+04    1.31479e+04    1.20863e+03   -3.11175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75188e+03    9.33512e+04    3.99991e+05   -2.33803e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66218e+04   -2.44984e+06    4.82943e+05   -1.96690e+06    2.35456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13101e+02   -2.07181e+02   -7.36400e+01    5.98738e-06


DD  step 222244999 load imb.: force 15.8%  pme mesh/force 0.768
           Step           Time
      222245000   444490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07435e+03    1.92810e+04    1.31819e+04    1.22042e+03   -3.04614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81422e+03    9.36866e+04    3.99358e+05   -2.33868e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63064e+04   -2.44743e+06    4.78781e+05   -1.96864e+06    2.35463e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10402e+02   -2.07298e+02   -5.76021e+01    5.78832e-06


DD  step 222249999 load imb.: force 19.3%  pme mesh/force 0.821
           Step           Time
      222250000   444500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88141e+03    1.93204e+04    1.31281e+04    1.20426e+03   -3.08527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83702e+03    9.30360e+04    4.03849e+05   -2.34173e+04   -2.98554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62407e+04   -2.45255e+06    4.77740e+05   -1.97481e+06    2.35468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09727e+02   -2.07837e+02    5.74181e+01    5.69454e-06


DD  step 222254999 load imb.: force 15.4%  pme mesh/force 0.745
           Step           Time
      222255000   444510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99497e+03    1.91041e+04    1.31624e+04    1.21550e+03   -3.03297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91861e+03    9.28653e+04    4.03094e+05   -2.33872e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66135e+04   -2.44827e+06    4.77640e+05   -1.97063e+06    2.35474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09662e+02   -2.07305e+02    9.67745e+01    5.68577e-06


DD  step 222259999 load imb.: force 15.8%  pme mesh/force 0.729
           Step           Time
      222260000   444520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04002e+03    1.90591e+04    1.30230e+04    1.20653e+03   -2.99150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77037e+03    9.27165e+04    4.01298e+05   -2.33905e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65694e+04   -2.44932e+06    4.78177e+05   -1.97114e+06    2.35480e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10011e+02   -2.07363e+02   -8.61815e+00    5.82651e-06


DD  step 222264999 load imb.: force 17.5%  pme mesh/force 0.787
           Step           Time
      222265000   444530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04148e+03    1.93788e+04    1.29778e+04    1.08670e+03   -2.98581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93527e+03    9.28494e+04    3.99744e+05   -2.34109e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65167e+04   -2.44893e+06    4.80197e+05   -1.96873e+06    2.35486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11321e+02   -2.07725e+02   -3.31861e+01    5.75093e-06


DD  step 222269999 load imb.: force 16.6%  pme mesh/force 0.765
           Step           Time
      222270000   444540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02035e+03    1.91583e+04    1.29030e+04    1.15451e+03   -3.00894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88079e+03    9.32606e+04    4.02546e+05   -2.34194e+04   -2.98153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64210e+04   -2.44961e+06    4.79565e+05   -1.97005e+06    2.35492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.07875e+02    2.24514e+01    5.90853e-06


DD  step 222274999 load imb.: force 15.7%  pme mesh/force 0.731
           Step           Time
      222275000   444550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19616e+03    1.96859e+04    1.30850e+04    1.24745e+03   -2.99011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75416e+03    9.31574e+04    4.02014e+05   -2.33771e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65573e+04   -2.44534e+06    4.78558e+05   -1.96679e+06    2.35498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10258e+02   -2.07125e+02    6.96463e+01    5.77238e-06


DD  step 222279999 load imb.: force 16.1%  pme mesh/force 0.757
           Step           Time
      222280000   444560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07718e+03    1.95970e+04    1.29915e+04    1.20048e+03   -3.05486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92661e+03    9.25794e+04    4.01760e+05   -2.33937e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63776e+04   -2.44711e+06    4.80006e+05   -1.96710e+06    2.35504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.07419e+02    2.52208e+01    5.62060e-06


DD  step 222284999 load imb.: force 17.6%  pme mesh/force 0.738
           Step           Time
      222285000   444570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94581e+03    1.95807e+04    1.29958e+04    1.24181e+03   -3.03761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90382e+03    9.28069e+04    4.00876e+05   -2.33712e+04   -2.97701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64183e+04   -2.44665e+06    4.82171e+05   -1.96448e+06    2.35510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12600e+02   -2.07020e+02    5.59680e+01    5.72892e-06


DD  step 222289999 load imb.: force 17.6%  pme mesh/force 0.780
           Step           Time
      222290000   444580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22077e+03    1.93861e+04    1.30862e+04    1.20046e+03   -3.09607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89037e+03    9.26889e+04    3.98118e+05   -2.33757e+04   -2.97449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64150e+04   -2.44696e+06    4.79213e+05   -1.96774e+06    2.35516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.07101e+02   -5.62753e+01    5.67535e-06


DD  step 222294999 load imb.: force 18.2%  pme mesh/force 0.751
           Step           Time
      222295000   444590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04294e+03    1.93339e+04    1.29509e+04    1.21409e+03   -2.97164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94144e+03    9.31677e+04    3.99389e+05   -2.33770e+04   -2.97277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64654e+04   -2.44361e+06    4.79426e+05   -1.96418e+06    2.35521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.07124e+02    3.50935e+00    5.70649e-06


DD  step 222299999 load imb.: force 17.4%  pme mesh/force 0.797
           Step           Time
      222300000   444600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96463e+03    1.96402e+04    1.32044e+04    1.28537e+03   -3.02357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78092e+03    9.32696e+04    3.98606e+05   -2.33297e+04   -2.97155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65699e+04   -2.44259e+06    4.82107e+05   -1.96048e+06    2.35527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12559e+02   -2.06288e+02    1.14800e+01    5.83275e-06


DD  step 222304999 load imb.: force 18.0%  pme mesh/force 0.766
           Step           Time
      222305000   444610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92020e+03    1.94405e+04    1.31230e+04    1.21988e+03   -2.99119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80866e+03    9.29517e+04    3.98451e+05   -2.33667e+04   -2.97425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65194e+04   -2.44617e+06    4.78988e+05   -1.96718e+06    2.35533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.06942e+02   -5.20117e+00    5.75593e-06


DD  step 222309999 load imb.: force 16.0%  pme mesh/force 0.735
           Step           Time
      222310000   444620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75647e+03    1.92980e+04    1.30854e+04    1.17536e+03   -3.09592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91533e+03    9.36591e+04    4.03829e+05   -2.34268e+04   -2.98276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64402e+04   -2.44913e+06    4.78880e+05   -1.97025e+06    2.35539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10466e+02   -2.08006e+02    1.34046e+02    5.70960e-06


DD  step 222314999 load imb.: force 15.8%  pme mesh/force 0.758
           Step           Time
      222315000   444630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09126e+03    1.96922e+04    1.29125e+04    1.14389e+03   -3.01176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82698e+03    9.27772e+04    4.03942e+05   -2.33853e+04   -2.98096e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65012e+04   -2.44747e+06    4.80347e+05   -1.96712e+06    2.35545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.07270e+02    1.03052e+02    5.54471e-06


DD  step 222319999 load imb.: force 15.5%  pme mesh/force 0.770
           Step           Time
      222320000   444640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10841e+03    1.92452e+04    1.29269e+04    1.22198e+03   -3.01776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88354e+03    9.32273e+04    4.03423e+05   -2.34016e+04   -2.98286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64067e+04   -2.44984e+06    4.80538e+05   -1.96930e+06    2.35550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.07560e+02    5.24692e+01    5.57778e-06


DD  step 222324999 load imb.: force 16.9%  pme mesh/force 0.725
           Step           Time
      222325000   444650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93117e+03    1.93012e+04    1.29103e+04    1.09376e+03   -3.00098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92992e+03    9.29436e+04    4.02729e+05   -2.33742e+04   -2.98236e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64401e+04   -2.45045e+06    4.79375e+05   -1.97108e+06    2.35556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.07074e+02    3.45592e+01    5.58407e-06


DD  step 222329999 load imb.: force 15.9%  pme mesh/force 0.753
           Step           Time
      222330000   444660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03922e+03    1.89458e+04    1.29336e+04    1.31347e+03   -2.96638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82007e+03    9.25024e+04    4.02157e+05   -2.33781e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63983e+04   -2.44819e+06    4.78584e+05   -1.96960e+06    2.35562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10274e+02   -2.07144e+02   -1.64225e+01    5.83393e-06


DD  step 222334999 load imb.: force 18.3%  pme mesh/force 0.766
           Step           Time
      222335000   444670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91903e+03    1.93155e+04    1.29689e+04    1.20902e+03   -2.96565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81392e+03    9.30395e+04    4.00376e+05   -2.33726e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66582e+04   -2.44637e+06    4.77753e+05   -1.96862e+06    2.35568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09736e+02   -2.07045e+02   -3.05193e+01    5.64853e-06


DD  step 222339999 load imb.: force 16.2%  pme mesh/force 0.772
           Step           Time
      222340000   444680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93731e+03    1.92940e+04    1.30186e+04    1.15589e+03   -2.95869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69727e+03    9.34289e+04    3.98656e+05   -2.33732e+04   -2.97334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66268e+04   -2.44486e+06    4.78122e+05   -1.96674e+06    2.35574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09975e+02   -2.07057e+02   -4.94931e+01    5.65798e-06


DD  step 222344999 load imb.: force 18.5%  pme mesh/force 0.753
           Step           Time
      222345000   444690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98894e+03    1.95260e+04    1.30865e+04    1.15320e+03   -2.93006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72481e+03    9.30741e+04    3.99725e+05   -2.33841e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64813e+04   -2.44729e+06    4.81843e+05   -1.96544e+06    2.35579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12387e+02   -2.07249e+02   -7.16579e+01    5.75393e-06


DD  step 222349999 load imb.: force 17.3%  pme mesh/force 0.736
           Step           Time
      222350000   444700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88339e+03    1.95789e+04    1.29738e+04    1.13679e+03   -2.98284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90414e+03    9.30969e+04    4.02084e+05   -2.34540e+04   -2.98090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65716e+04   -2.44910e+06    4.80582e+05   -1.96852e+06    2.35585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11570e+02   -2.08489e+02    1.24838e+02    5.76921e-06


DD  step 222354999 load imb.: force 16.4%  pme mesh/force 0.763
           Step           Time
      222355000   444710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86054e+03    1.90035e+04    1.31390e+04    1.18957e+03   -3.09899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89845e+03    9.32029e+04    4.01023e+05   -2.34188e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65479e+04   -2.44731e+06    4.79709e+05   -1.96760e+06    2.35591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11004e+02   -2.07864e+02    2.82625e+01    5.79976e-06


DD  step 222359999 load imb.: force 16.8%  pme mesh/force 0.762
           Step           Time
      222360000   444720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18695e+03    1.92573e+04    1.29694e+04    1.21059e+03   -3.11259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76087e+03    9.29058e+04    4.02443e+05   -2.34203e+04   -2.98060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62469e+04   -2.44916e+06    4.81288e+05   -1.96787e+06    2.35597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12027e+02   -2.07890e+02    5.74710e+01    5.67075e-06


DD  step 222364999 load imb.: force 17.0%  pme mesh/force 0.807
           Step           Time
      222365000   444730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12887e+03    1.93537e+04    1.30964e+04    1.15812e+03   -3.12586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83346e+03    9.30955e+04    4.01862e+05   -2.33563e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62552e+04   -2.44651e+06    4.80826e+05   -1.96568e+06    2.35603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11728e+02   -2.06757e+02    2.52533e+01    5.74955e-06


DD  step 222369999 load imb.: force 17.0%  pme mesh/force 0.786
           Step           Time
      222370000   444740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95151e+03    1.92088e+04    1.31976e+04    1.22145e+03   -2.95402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91519e+03    9.34261e+04    3.99763e+05   -2.33825e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64895e+04   -2.44487e+06    4.80630e+05   -1.96424e+06    2.35609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.07221e+02    2.71612e+01    5.77299e-06


DD  step 222374999 load imb.: force 16.4%  pme mesh/force 0.766
           Step           Time
      222375000   444750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03827e+03    1.90746e+04    1.29978e+04    1.14357e+03   -3.08179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93349e+03    9.30444e+04    4.03414e+05   -2.33859e+04   -2.98167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64468e+04   -2.44905e+06    4.78700e+05   -1.97035e+06    2.35615e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10350e+02   -2.07281e+02    7.63581e+01    5.78101e-06


DD  step 222379999 load imb.: force 16.3%  pme mesh/force 0.766
           Step           Time
      222380000   444760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00775e+03    1.92664e+04    1.26813e+04    1.21333e+03   -3.03257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89087e+03    9.28310e+04    3.98541e+05   -2.33977e+04   -2.97575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64996e+04   -2.44824e+06    4.78939e+05   -1.96931e+06    2.35620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.07491e+02   -5.07975e+01    6.01785e-06


DD  step 222384999 load imb.: force 17.2%  pme mesh/force 0.768
           Step           Time
      222385000   444770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15262e+03    1.94297e+04    1.28452e+04    1.14680e+03   -2.98987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89315e+03    9.30778e+04    3.99770e+05   -2.33605e+04   -2.97270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65198e+04   -2.44322e+06    4.81610e+05   -1.96161e+06    2.35626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12237e+02   -2.06832e+02    1.38667e+01    5.89965e-06


DD  step 222389999 load imb.: force 17.1%  pme mesh/force 0.772
           Step           Time
      222390000   444780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91006e+03    1.94976e+04    1.28189e+04    1.24941e+03   -3.04378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78577e+03    9.26313e+04    3.99118e+05   -2.32869e+04   -2.97144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68502e+04   -2.44291e+06    4.80594e+05   -1.96231e+06    2.35632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11577e+02   -2.05533e+02   -4.35849e+01    5.77467e-06


DD  step 222394999 load imb.: force 18.8%  pme mesh/force 0.747
           Step           Time
      222395000   444790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98288e+03    1.93669e+04    1.30054e+04    1.21375e+03   -3.03448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91074e+03    9.33966e+04    3.98592e+05   -2.33921e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64734e+04   -2.44897e+06    4.80286e+05   -1.96869e+06    2.35638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.07391e+02   -4.86536e+01    5.83544e-06


DD  step 222399999 load imb.: force 16.6%  pme mesh/force 0.737
           Step           Time
      222400000   444800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17783e+03    1.94388e+04    1.29922e+04    1.12159e+03   -2.91310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83508e+03    9.30153e+04    3.97753e+05   -2.33593e+04   -2.97299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64400e+04   -2.44549e+06    4.81396e+05   -1.96409e+06    2.35643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12098e+02   -2.06811e+02   -7.07765e+01    5.86207e-06


DD  step 222404999 load imb.: force 16.7%  pme mesh/force 0.752
           Step           Time
      222405000   444810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20947e+03    1.95450e+04    1.28608e+04    1.24804e+03   -3.02563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72983e+03    9.25998e+04    4.01775e+05   -2.33679e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65196e+04   -2.44764e+06    4.81038e+05   -1.96660e+06    2.35649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11865e+02   -2.06963e+02   -1.08529e+01    5.79520e-06


DD  step 222409999 load imb.: force 16.3%  pme mesh/force 0.751
           Step           Time
      222410000   444820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15548e+03    1.93792e+04    1.29867e+04    1.14537e+03   -3.04980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73052e+03    9.26081e+04    3.97822e+05   -2.34156e+04   -2.97152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65586e+04   -2.44460e+06    4.81007e+05   -1.96359e+06    2.35655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11846e+02   -2.07808e+02   -5.47661e+01    5.87132e-06


DD  step 222414999 load imb.: force 19.3%  pme mesh/force 0.778
           Step           Time
      222415000   444830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03861e+03    1.91034e+04    1.29879e+04    1.19701e+03   -3.04276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87498e+03    9.29105e+04    4.01155e+05   -2.33652e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67015e+04   -2.44812e+06    4.79510e+05   -1.96861e+06    2.35661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.06916e+02   -2.88426e+01    5.79416e-06

Writing checkpoint, step 222416300 at Tue Nov  7 21:16:28 2023



DD  step 222419999 load imb.: force 15.7%  pme mesh/force 0.737
           Step           Time
      222420000   444840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22445e+03    1.96287e+04    1.29725e+04    1.14147e+03   -3.01318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78641e+03    9.25840e+04    4.01478e+05   -2.34073e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64879e+04   -2.44722e+06    4.77948e+05   -1.96927e+06    2.35667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09862e+02   -2.07661e+02    4.83158e+01    5.69485e-06


DD  step 222424999 load imb.: force 18.4%  pme mesh/force 0.776
           Step           Time
      222425000   444850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93980e+03    1.93635e+04    1.30045e+04    1.24714e+03   -3.10905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78067e+03    9.31245e+04    3.99660e+05   -2.33597e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66121e+04   -2.44903e+06    4.79412e+05   -1.96961e+06    2.35673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10811e+02   -2.06817e+02   -3.84020e+01    5.75435e-06


DD  step 222429999 load imb.: force 16.8%  pme mesh/force 0.763
           Step           Time
      222430000   444860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97168e+03    1.94475e+04    1.30643e+04    1.12521e+03   -3.15587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99234e+03    9.31851e+04    4.01318e+05   -2.34215e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64489e+04   -2.44706e+06    4.79216e+05   -1.96784e+06    2.35678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.07913e+02    1.08850e+02    5.59477e-06


DD  step 222434999 load imb.: force 17.3%  pme mesh/force 0.754
           Step           Time
      222435000   444870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04172e+03    1.94039e+04    1.29803e+04    1.11448e+03   -3.09081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68590e+03    9.29151e+04    3.99086e+05   -2.34023e+04   -2.97667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61895e+04   -2.44875e+06    4.79412e+05   -1.96934e+06    2.35684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10811e+02   -2.07571e+02   -7.25036e+01    5.70445e-06


DD  step 222439999 load imb.: force 18.5%  pme mesh/force 0.801
           Step           Time
      222440000   444880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27480e+03    1.93789e+04    1.29722e+04    1.18785e+03   -3.09227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81760e+03    9.29191e+04    4.00378e+05   -2.33528e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66657e+04   -2.44569e+06    4.80420e+05   -1.96527e+06    2.35690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11465e+02   -2.06695e+02   -4.68907e+01    5.84424e-06


DD  step 222444999 load imb.: force 17.2%  pme mesh/force 0.755
           Step           Time
      222445000   444890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88647e+03    1.93189e+04    1.29336e+04    1.11502e+03   -2.95507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80642e+03    9.31124e+04    4.00270e+05   -2.34177e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62911e+04   -2.44996e+06    4.78867e+05   -1.97109e+06    2.35696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10458e+02   -2.07845e+02   -1.99395e+01    5.75650e-06


DD  step 222449999 load imb.: force 18.7%  pme mesh/force 0.769
           Step           Time
      222450000   444900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85749e+03    1.96807e+04    1.30436e+04    1.18555e+03   -3.11971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77917e+03    9.31344e+04    4.00537e+05   -2.34453e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65702e+04   -2.44791e+06    4.80259e+05   -1.96766e+06    2.35702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.08335e+02    1.40162e+01    5.74755e-06


DD  step 222454999 load imb.: force 17.8%  pme mesh/force 0.775
           Step           Time
      222455000   444910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76382e+03    1.95620e+04    1.30040e+04    1.19593e+03   -3.16933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78696e+03    9.27323e+04    4.01856e+05   -2.33663e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66549e+04   -2.44786e+06    4.79044e+05   -1.96881e+06    2.35708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10573e+02   -2.06935e+02   -1.37964e+01    5.70914e-06


DD  step 222459999 load imb.: force 17.6%  pme mesh/force 0.763
           Step           Time
      222460000   444920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88887e+03    1.93738e+04    1.27873e+04    1.19955e+03   -2.90464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91400e+03    9.31992e+04    4.00261e+05   -2.33957e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64222e+04   -2.44631e+06    4.77287e+05   -1.96902e+06    2.35713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09434e+02   -2.07455e+02   -7.00562e-01    5.77733e-06


DD  step 222464999 load imb.: force 17.5%  pme mesh/force 0.771
           Step           Time
      222465000   444930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96512e+03    1.92609e+04    1.32906e+04    1.18994e+03   -3.09815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95126e+03    9.25639e+04    4.00394e+05   -2.33470e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65609e+04   -2.44642e+06    4.78865e+05   -1.96756e+06    2.35719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10457e+02   -2.06593e+02   -1.72325e+00    5.94285e-06


DD  step 222469999 load imb.: force 17.0%  pme mesh/force 0.788
           Step           Time
      222470000   444940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90766e+03    1.95944e+04    1.28886e+04    1.21943e+03   -2.97335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88128e+03    9.30863e+04    4.01930e+05   -2.34170e+04   -2.98124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61337e+04   -2.44999e+06    4.78741e+05   -1.97125e+06    2.35726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10377e+02   -2.07832e+02    5.23116e+01    5.77552e-06


DD  step 222474999 load imb.: force 16.9%  pme mesh/force 0.751
           Step           Time
      222475000   444950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09735e+03    1.93119e+04    1.27912e+04    1.11724e+03   -2.91414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89084e+03    9.30590e+04    3.99721e+05   -2.33801e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64346e+04   -2.44643e+06    4.81007e+05   -1.96542e+06    2.35731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11845e+02   -2.07178e+02    2.01151e+01    5.88961e-06


DD  step 222479999 load imb.: force 19.1%  pme mesh/force 0.802
           Step           Time
      222480000   444960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00341e+03    1.92521e+04    1.28668e+04    1.13365e+03   -2.98235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80942e+03    9.32880e+04    4.00525e+05   -2.33619e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65793e+04   -2.44638e+06    4.79562e+05   -1.96682e+06    2.35736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10909e+02   -2.06857e+02    3.77523e+01    5.84183e-06


DD  step 222484999 load imb.: force 17.0%  pme mesh/force 0.753
           Step           Time
      222485000   444970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11495e+03    1.93825e+04    1.31065e+04    1.19119e+03   -3.03256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88287e+03    9.31865e+04    4.00395e+05   -2.33799e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65661e+04   -2.44485e+06    4.79593e+05   -1.96526e+06    2.35742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.07174e+02    5.90181e+01    5.86407e-06


DD  step 222489999 load imb.: force 18.4%  pme mesh/force 0.781
           Step           Time
      222490000   444980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84404e+03    1.96668e+04    1.29811e+04    1.14287e+03   -3.03822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96261e+03    9.32436e+04    3.99047e+05   -2.34085e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65265e+04   -2.44748e+06    4.80978e+05   -1.96651e+06    2.35748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11827e+02   -2.07682e+02    6.96788e+00    5.84949e-06


DD  step 222494999 load imb.: force 17.0%  pme mesh/force 0.785
           Step           Time
      222495000   444990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94917e+03    1.93448e+04    1.28667e+04    1.15909e+03   -3.01631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93296e+03    9.35735e+04    3.99832e+05   -2.33657e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66753e+04   -2.44869e+06    4.79099e+05   -1.96959e+06    2.35754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10608e+02   -2.06924e+02   -3.52688e+01    5.72904e-06


DD  step 222499999 load imb.: force 18.6%  pme mesh/force 0.753
           Step           Time
      222500000   445000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25077e+03    1.96551e+04    1.31068e+04    1.15328e+03   -3.03940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71699e+03    9.24886e+04    3.98951e+05   -2.33814e+04   -2.97568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64948e+04   -2.44729e+06    4.78967e+05   -1.96832e+06    2.35760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.07202e+02   -4.99922e+01    5.82024e-06


DD  step 222504999 load imb.: force 17.3%  pme mesh/force 0.791
           Step           Time
      222505000   445010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09479e+03    1.97983e+04    1.30699e+04    1.22282e+03   -3.09307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89183e+03    9.30169e+04    3.99777e+05   -2.33670e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64124e+04   -2.44642e+06    4.79097e+05   -1.96732e+06    2.35766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10607e+02   -2.06947e+02   -3.40980e+01    5.69591e-06


DD  step 222509999 load imb.: force 16.3%  pme mesh/force 0.750
           Step           Time
      222510000   445020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89379e+03    1.92595e+04    1.31237e+04    1.20830e+03   -2.97376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86390e+03    9.33970e+04    3.97251e+05   -2.34108e+04   -2.97390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64678e+04   -2.44682e+06    4.80194e+05   -1.96663e+06    2.35771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11318e+02   -2.07722e+02   -6.82353e+01    5.87948e-06


DD  step 222514999 load imb.: force 19.0%  pme mesh/force 0.799
           Step           Time
      222515000   445030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17804e+03    1.96104e+04    1.30127e+04    1.23005e+03   -2.95102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98909e+03    9.32013e+04    4.03100e+05   -2.33530e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65301e+04   -2.44532e+06    4.78372e+05   -1.96695e+06    2.35777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10137e+02   -2.06699e+02    1.13629e+02    5.75237e-06


DD  step 222519999 load imb.: force 16.5%  pme mesh/force 0.750
           Step           Time
      222520000   445040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12995e+03    1.94108e+04    1.30039e+04    1.22330e+03   -3.06097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91528e+03    9.31165e+04    4.02055e+05   -2.34110e+04   -2.98036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65925e+04   -2.44839e+06    4.80970e+05   -1.96742e+06    2.35783e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11822e+02   -2.07726e+02    8.65976e+01    5.87200e-06


DD  step 222524999 load imb.: force 22.1%  pme mesh/force 0.783
           Step           Time
      222525000   445050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85979e+03    1.95321e+04    1.31865e+04    1.25828e+03   -3.09036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83994e+03    9.31836e+04    4.01397e+05   -2.33871e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66114e+04   -2.44609e+06    4.79309e+05   -1.96678e+06    2.35789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.07303e+02    7.53620e+01    5.93324e-06


DD  step 222529999 load imb.: force 17.0%  pme mesh/force 0.765
           Step           Time
      222530000   445060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94357e+03    1.94767e+04    1.31271e+04    1.12388e+03   -3.19636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76360e+03    9.26715e+04    4.01792e+05   -2.33299e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63449e+04   -2.44768e+06    4.81864e+05   -1.96581e+06    2.35795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12401e+02   -2.06290e+02    2.43891e+01    5.84483e-06


DD  step 222534999 load imb.: force 18.5%  pme mesh/force 0.779
           Step           Time
      222535000   445070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05940e+03    1.94263e+04    1.31914e+04    1.14471e+03   -3.13192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76946e+03    9.29594e+04    4.03706e+05   -2.33932e+04   -2.98182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62366e+04   -2.44885e+06    4.78860e+05   -1.96999e+06    2.35800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10453e+02   -2.07411e+02    4.76575e+01    5.82956e-06


DD  step 222539999 load imb.: force 17.2%  pme mesh/force 0.756
           Step           Time
      222540000   445080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68186e+03    1.94089e+04    1.29102e+04    1.10258e+03   -3.04195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88910e+03    9.33745e+04    4.01137e+05   -2.33923e+04   -2.98029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64327e+04   -2.44979e+06    4.80197e+05   -1.96959e+06    2.35806e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.07394e+02   -1.07601e+01    5.70975e-06


DD  step 222544999 load imb.: force 17.7%  pme mesh/force 0.785
           Step           Time
      222545000   445090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89273e+03    1.91828e+04    1.30043e+04    1.15850e+03   -3.03102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84287e+03    9.36111e+04    4.01805e+05   -2.34002e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64499e+04   -2.44801e+06    4.76602e+05   -1.97141e+06    2.35812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08990e+02   -2.07534e+02    1.57390e+01    5.80897e-06


DD  step 222549999 load imb.: force 19.9%  pme mesh/force 0.774
           Step           Time
      222550000   445100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31678e+03    1.96845e+04    1.30593e+04    1.22715e+03   -3.03470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65765e+03    9.26768e+04    4.01010e+05   -2.34037e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65465e+04   -2.44835e+06    4.80258e+05   -1.96809e+06    2.35818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11359e+02   -2.07597e+02   -2.26634e+01    5.69848e-06


DD  step 222554999 load imb.: force 19.0%  pme mesh/force 0.785
           Step           Time
      222555000   445110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17917e+03    1.92211e+04    1.30960e+04    1.21599e+03   -2.97636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81423e+03    9.33520e+04    4.00713e+05   -2.34052e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66231e+04   -2.44925e+06    4.79434e+05   -1.96982e+06    2.35824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10826e+02   -2.07623e+02   -2.91536e+01    5.75105e-06


DD  step 222559999 load imb.: force 16.9%  pme mesh/force 0.748
           Step           Time
      222560000   445120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00822e+03    1.91592e+04    1.29767e+04    1.08903e+03   -3.09449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93429e+03    9.33901e+04    4.00982e+05   -2.33958e+04   -2.98176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64150e+04   -2.45130e+06    4.79915e+05   -1.97138e+06    2.35830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.07456e+02   -5.53142e+01    5.71970e-06


DD  step 222564999 load imb.: force 18.2%  pme mesh/force 0.817
           Step           Time
      222565000   445130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04692e+03    1.96159e+04    1.31425e+04    1.22226e+03   -3.09180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83752e+03    9.30813e+04    4.02858e+05   -2.34161e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65689e+04   -2.44611e+06    4.82084e+05   -1.96403e+06    2.35835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12544e+02   -2.07816e+02    1.25928e+02    5.81174e-06


DD  step 222569999 load imb.: force 16.7%  pme mesh/force 0.782
           Step           Time
      222570000   445140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94520e+03    1.92164e+04    1.31259e+04    1.23457e+03   -3.09540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74587e+03    9.31364e+04    4.00078e+05   -2.33483e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65092e+04   -2.44583e+06    4.78067e+05   -1.96776e+06    2.35842e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09939e+02   -2.06617e+02   -9.83023e+00    5.81919e-06


DD  step 222574999 load imb.: force 17.1%  pme mesh/force 0.774
           Step           Time
      222575000   445150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96787e+03    1.94024e+04    1.31324e+04    1.19609e+03   -3.08492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85001e+03    9.32714e+04    3.99185e+05   -2.33651e+04   -2.97380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65291e+04   -2.44472e+06    4.80096e+05   -1.96462e+06    2.35847e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11255e+02   -2.06912e+02   -3.87081e+01    6.07133e-06


DD  step 222579999 load imb.: force 19.3%  pme mesh/force 0.805
           Step           Time
      222580000   445160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07887e+03    1.90705e+04    1.30771e+04    1.20462e+03   -2.98233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93196e+03    9.27061e+04    4.01890e+05   -2.33690e+04   -2.98163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66991e+04   -2.45033e+06    4.80573e+05   -1.96975e+06    2.35853e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.06983e+02    4.81266e+01    5.77514e-06


DD  step 222584999 load imb.: force 17.6%  pme mesh/force 0.794
           Step           Time
      222585000   445170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03116e+03    1.96396e+04    1.30887e+04    1.16279e+03   -3.00269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82636e+03    9.29921e+04    4.00361e+05   -2.33489e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65870e+04   -2.44542e+06    4.80016e+05   -1.96540e+06    2.35859e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11203e+02   -2.06627e+02   -2.96434e+00    5.92908e-06


DD  step 222589999 load imb.: force 17.7%  pme mesh/force 0.773
           Step           Time
      222590000   445180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17074e+03    1.98411e+04    1.29103e+04    1.20289e+03   -2.99683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80016e+03    9.22844e+04    3.98575e+05   -2.33716e+04   -2.97430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64788e+04   -2.44640e+06    4.80094e+05   -1.96631e+06    2.35865e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.07028e+02   -6.01158e+01    5.89342e-06


DD  step 222594999 load imb.: force 17.7%  pme mesh/force 0.817
           Step           Time
      222595000   445190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00270e+03    1.89912e+04    1.30842e+04    1.15532e+03   -3.07984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76758e+03    9.25391e+04    4.03888e+05   -2.33833e+04   -2.98464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62317e+04   -2.45245e+06    4.78956e+05   -1.97349e+06    2.35871e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.07235e+02    3.04416e+01    5.74911e-06


DD  step 222599999 load imb.: force 19.3%  pme mesh/force 0.814
           Step           Time
      222600000   445200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64923e+03    1.93408e+04    1.32067e+04    1.22183e+03   -3.05271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82971e+03    9.33220e+04    3.98183e+05   -2.33717e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63912e+04   -2.44838e+06    4.77743e+05   -1.97064e+06    2.35877e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09729e+02   -2.07030e+02   -1.04424e+02    5.87970e-06


DD  step 222604999 load imb.: force 17.6%  pme mesh/force 0.788
           Step           Time
      222605000   445210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95770e+03    1.92057e+04    1.31036e+04    1.11108e+03   -3.06625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86689e+03    9.29259e+04    3.99978e+05   -2.33621e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66531e+04   -2.44646e+06    4.79972e+05   -1.96648e+06    2.35883e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11174e+02   -2.06860e+02   -8.44624e+00    5.77933e-06


DD  step 222609999 load imb.: force 17.7%  pme mesh/force 0.778
           Step           Time
      222610000   445220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15135e+03    1.96504e+04    1.30642e+04    1.21450e+03   -3.04762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77941e+03    9.30409e+04    4.00289e+05   -2.33723e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66851e+04   -2.44764e+06    4.80838e+05   -1.96681e+06    2.35889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.07040e+02   -1.94480e+01    5.87478e-06


DD  step 222614999 load imb.: force 16.7%  pme mesh/force 0.761
           Step           Time
      222615000   445230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02105e+03    1.89688e+04    1.31214e+04    1.27114e+03   -3.05983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83883e+03    9.32643e+04    3.98510e+05   -2.33558e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65908e+04   -2.44964e+06    4.78939e+05   -1.97070e+06    2.35894e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.06748e+02   -1.08169e+02    5.73204e-06


DD  step 222619999 load imb.: force 18.7%  pme mesh/force 0.806
           Step           Time
      222620000   445240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78051e+03    1.93502e+04    1.31557e+04    1.29817e+03   -3.03903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80005e+03    9.30534e+04    4.01353e+05   -2.34265e+04   -2.98065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63894e+04   -2.44994e+06    4.81793e+05   -1.96814e+06    2.35900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12355e+02   -2.08001e+02    1.00379e+01    5.90798e-06


DD  step 222624999 load imb.: force 16.8%  pme mesh/force 0.772
           Step           Time
      222625000   445250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14440e+03    1.94219e+04    1.31254e+04    1.13044e+03   -3.00074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91848e+03    9.27143e+04    4.04533e+05   -2.33849e+04   -2.98283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64531e+04   -2.44878e+06    4.82133e+05   -1.96664e+06    2.35906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12575e+02   -2.07264e+02    8.79803e+01    5.88183e-06


DD  step 222629999 load imb.: force 19.7%  pme mesh/force 0.841
           Step           Time
      222630000   445260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74918e+03    1.95623e+04    1.30323e+04    1.17354e+03   -3.12996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89120e+03    9.32652e+04    3.97749e+05   -2.33603e+04   -2.97273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65495e+04   -2.44525e+06    4.78884e+05   -1.96636e+06    2.35912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.06828e+02   -2.65131e+01    5.79077e-06


DD  step 222634999 load imb.: force 18.3%  pme mesh/force 0.773
           Step           Time
      222635000   445270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14684e+03    2.01055e+04    1.30734e+04    1.14922e+03   -2.99427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84849e+03    9.25591e+04    3.98026e+05   -2.33713e+04   -2.97453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64195e+04   -2.44657e+06    4.80716e+05   -1.96585e+06    2.35918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11657e+02   -2.07022e+02   -6.61436e+01    5.73306e-06


DD  step 222639999 load imb.: force 19.5%  pme mesh/force 0.824
           Step           Time
      222640000   445280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03030e+03    1.94570e+04    1.30672e+04    1.18110e+03   -3.04422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92893e+03    9.26157e+04    4.02605e+05   -2.34384e+04   -2.98066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63817e+04   -2.44888e+06    4.78313e+05   -1.97056e+06    2.35924e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10099e+02   -2.08212e+02    8.26013e+01    5.72108e-06


DD  step 222644999 load imb.: force 18.9%  pme mesh/force 0.812
           Step           Time
      222645000   445290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20540e+03    1.94793e+04    1.30436e+04    1.12398e+03   -3.03155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82622e+03    9.24509e+04    4.01409e+05   -2.33529e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64245e+04   -2.44723e+06    4.80787e+05   -1.96644e+06    2.35929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11703e+02   -2.06698e+02    5.01808e+00    5.87482e-06


DD  step 222649999 load imb.: force 17.3%  pme mesh/force 0.788
           Step           Time
      222650000   445300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89951e+03    1.93666e+04    1.28665e+04    1.15313e+03   -3.09064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93262e+03    9.28157e+04    4.02554e+05   -2.34448e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65359e+04   -2.44809e+06    4.78618e+05   -1.96947e+06    2.35935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10297e+02   -2.08325e+02    1.23827e+02    5.92437e-06


DD  step 222654999 load imb.: force 17.3%  pme mesh/force 0.772
           Step           Time
      222655000   445310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06907e+03    1.90565e+04    1.29868e+04    1.12514e+03   -3.02155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86430e+03    9.33040e+04    3.96435e+05   -2.33232e+04   -2.97136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66319e+04   -2.44524e+06    4.77834e+05   -1.96740e+06    2.35941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09788e+02   -2.06173e+02   -1.68699e+02    5.88272e-06


DD  step 222659999 load imb.: force 15.6%  pme mesh/force 0.746
           Step           Time
      222660000   445320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95528e+03    1.96701e+04    1.29863e+04    1.32305e+03   -3.04557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86033e+03    9.27684e+04    3.98227e+05   -2.33415e+04   -2.97193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65535e+04   -2.44397e+06    4.79682e+05   -1.96429e+06    2.35947e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10986e+02   -2.06496e+02   -6.81266e+01    5.70786e-06


DD  step 222664999 load imb.: force 18.2%  pme mesh/force 0.761
           Step           Time
      222665000   445330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78827e+03    1.93897e+04    1.29496e+04    1.20931e+03   -3.11741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90509e+03    9.33119e+04    3.99377e+05   -2.33904e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65298e+04   -2.44661e+06    4.79423e+05   -1.96718e+06    2.35953e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.07360e+02    2.24807e+01    5.76359e-06


DD  step 222669999 load imb.: force 15.6%  pme mesh/force 0.726
           Step           Time
      222670000   445340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09779e+03    1.93848e+04    1.30329e+04    1.14380e+03   -3.13875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83175e+03    9.31515e+04    4.02079e+05   -2.33807e+04   -2.98111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61733e+04   -2.44974e+06    4.79418e+05   -1.97032e+06    2.35959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10815e+02   -2.07190e+02    3.52158e+01    5.78191e-06


DD  step 222674999 load imb.: force 16.9%  pme mesh/force 0.784
           Step           Time
      222675000   445350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06001e+03    1.92575e+04    1.30897e+04    1.15571e+03   -3.09250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86197e+03    9.23989e+04    4.03084e+05   -2.34249e+04   -2.98170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62629e+04   -2.45005e+06    4.78324e+05   -1.97172e+06    2.35964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10106e+02   -2.07973e+02    4.54608e+01    5.92850e-06


DD  step 222679999 load imb.: force 18.7%  pme mesh/force 0.767
           Step           Time
      222680000   445360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91814e+03    1.93048e+04    1.30303e+04    1.21559e+03   -3.06397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90849e+03    9.29021e+04    4.00726e+05   -2.33850e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64970e+04   -2.44733e+06    4.78145e+05   -1.96919e+06    2.35970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09990e+02   -2.07266e+02    2.21831e+01    5.90291e-06


DD  step 222684999 load imb.: force 18.8%  pme mesh/force 0.758
           Step           Time
      222685000   445370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96793e+03    1.95681e+04    1.30318e+04    1.15835e+03   -3.17534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85384e+03    9.23456e+04    4.00208e+05   -2.33841e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63940e+04   -2.44615e+06    4.79536e+05   -1.96661e+06    2.35976e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10891e+02   -2.07250e+02    2.09117e+01    5.80628e-06


DD  step 222689999 load imb.: force 16.4%  pme mesh/force 0.763
           Step           Time
      222690000   445380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28606e+03    1.92325e+04    1.30381e+04    1.21876e+03   -3.06921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78461e+03    9.26360e+04    4.00900e+05   -2.33605e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63998e+04   -2.44548e+06    4.79094e+05   -1.96638e+06    2.35981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10605e+02   -2.06832e+02   -1.42340e+01    5.88388e-06


DD  step 222694999 load imb.: force 16.6%  pme mesh/force 0.748
           Step           Time
      222695000   445390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83662e+03    1.95277e+04    1.29728e+04    1.11276e+03   -2.97944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82573e+03    9.26948e+04    4.00703e+05   -2.33888e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62967e+04   -2.44887e+06    4.80344e+05   -1.96852e+06    2.35988e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11416e+02   -2.07332e+02   -8.84378e+00    5.78943e-06


DD  step 222699999 load imb.: force 17.2%  pme mesh/force 0.786
           Step           Time
      222700000   445400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18147e+03    1.93697e+04    1.29735e+04    1.23244e+03   -3.07399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80902e+03    9.25445e+04    4.00221e+05   -2.34070e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61542e+04   -2.44709e+06    4.79961e+05   -1.96712e+06    2.35993e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.07655e+02    2.20937e+01    5.90672e-06


DD  step 222704999 load imb.: force 17.8%  pme mesh/force 0.764
           Step           Time
      222705000   445410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04429e+03    1.92819e+04    1.31428e+04    1.18010e+03   -2.95428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71020e+03    9.26836e+04    4.02592e+05   -2.33839e+04   -2.98126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65770e+04   -2.44938e+06    4.81965e+05   -1.96742e+06    2.35999e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12467e+02   -2.07245e+02    4.78651e+01    5.88042e-06


DD  step 222709999 load imb.: force 17.9%  pme mesh/force 0.784
           Step           Time
      222710000   445420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11299e+03    1.92776e+04    1.33341e+04    1.16896e+03   -3.09305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76025e+03    9.27866e+04    4.00612e+05   -2.33513e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65217e+04   -2.44846e+06    4.79340e+05   -1.96912e+06    2.36005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10765e+02   -2.06669e+02   -2.89476e+01    5.90353e-06


DD  step 222714999 load imb.: force 16.5%  pme mesh/force 0.730
           Step           Time
      222715000   445430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87177e+03    1.91178e+04    1.30792e+04    1.20445e+03   -3.01784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81127e+03    9.31569e+04    3.99452e+05   -2.33916e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64549e+04   -2.44778e+06    4.78110e+05   -1.96967e+06    2.36011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.07382e+02   -6.02383e+01    5.74065e-06


DD  step 222719999 load imb.: force 18.5%  pme mesh/force 0.785
           Step           Time
      222720000   445440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92860e+03    1.91712e+04    1.30017e+04    1.20782e+03   -3.05649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82848e+03    9.31614e+04    3.98656e+05   -2.34067e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62339e+04   -2.44806e+06    4.80298e+05   -1.96776e+06    2.36016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11386e+02   -2.07650e+02   -1.39818e+01    5.73119e-06


DD  step 222724999 load imb.: force 19.0%  pme mesh/force 0.805
           Step           Time
      222725000   445450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06409e+03    1.88486e+04    1.30681e+04    1.25916e+03   -3.15421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81297e+03    9.27604e+04    4.00387e+05   -2.33289e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67706e+04   -2.44663e+06    4.78599e+05   -1.96803e+06    2.36022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10284e+02   -2.06273e+02   -5.81308e+01    5.93370e-06


DD  step 222729999 load imb.: force 19.1%  pme mesh/force 0.782
           Step           Time
      222730000   445460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94710e+03    1.91022e+04    1.32958e+04    1.22502e+03   -3.16718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80613e+03    9.32027e+04    4.04675e+05   -2.33554e+04   -2.98257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65187e+04   -2.44832e+06    4.79257e+05   -1.96906e+06    2.36028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.06742e+02    8.30043e+01    5.92111e-06


DD  step 222734999 load imb.: force 16.3%  pme mesh/force 0.752
           Step           Time
      222735000   445470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10339e+03    1.94150e+04    1.29146e+04    1.17416e+03   -2.97775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83288e+03    9.30786e+04    4.01117e+05   -2.33540e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66053e+04   -2.44508e+06    4.80540e+05   -1.96454e+06    2.36034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.06716e+02   -1.30106e+00    5.71968e-06

Writing checkpoint, step 222739800 at Tue Nov  7 21:31:28 2023



DD  step 222739999 load imb.: force 17.8%  pme mesh/force 0.781
           Step           Time
      222740000   445480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91675e+03    1.97563e+04    1.30951e+04    1.23847e+03   -2.98539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83619e+03    9.25811e+04    4.01174e+05   -2.33820e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66354e+04   -2.44616e+06    4.80475e+05   -1.96569e+06    2.36040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11500e+02   -2.07213e+02    4.00960e+01    5.71033e-06


DD  step 222744999 load imb.: force 16.8%  pme mesh/force 0.756
           Step           Time
      222745000   445490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14023e+03    1.90661e+04    1.32126e+04    1.16330e+03   -2.99347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90470e+03    9.25785e+04    4.04069e+05   -2.33804e+04   -2.98465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64110e+04   -2.45148e+06    4.78985e+05   -1.97250e+06    2.36046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.07184e+02    7.13004e+01    5.82277e-06


DD  step 222749999 load imb.: force 17.0%  pme mesh/force 0.772
           Step           Time
      222750000   445500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09225e+03    1.96279e+04    1.28308e+04    1.13266e+03   -2.99372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86878e+03    9.27186e+04    3.98728e+05   -2.33861e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64164e+04   -2.44780e+06    4.79408e+05   -1.96839e+06    2.36052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10808e+02   -2.07285e+02   -6.60097e+01    5.78166e-06


DD  step 222754999 load imb.: force 18.7%  pme mesh/force 0.807
           Step           Time
      222755000   445510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11116e+03    1.96844e+04    1.31736e+04    1.10546e+03   -2.96456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86343e+03    9.24065e+04    4.01262e+05   -2.34043e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64906e+04   -2.44782e+06    4.78872e+05   -1.96894e+06    2.36058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10462e+02   -2.07607e+02    2.94843e+01    5.70530e-06


DD  step 222759999 load imb.: force 17.7%  pme mesh/force 0.776
           Step           Time
      222760000   445520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01771e+03    1.93895e+04    1.29265e+04    1.15246e+03   -2.89410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75380e+03    9.27592e+04    3.97516e+05   -2.33607e+04   -2.97368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65388e+04   -2.44688e+06    4.77383e+05   -1.96950e+06    2.36063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09496e+02   -2.06836e+02   -1.54414e+02    5.76204e-06


DD  step 222764999 load imb.: force 16.3%  pme mesh/force 0.756
           Step           Time
      222765000   445530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20281e+03    1.97264e+04    1.30396e+04    1.19300e+03   -2.92151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00963e+03    9.26513e+04    4.01632e+05   -2.33721e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65083e+04   -2.44473e+06    4.80377e+05   -1.96436e+06    2.36069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11437e+02   -2.07037e+02    5.39790e+01    5.86208e-06


DD  step 222769999 load imb.: force 18.1%  pme mesh/force 0.772
           Step           Time
      222770000   445540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32950e+03    1.93719e+04    1.32289e+04    1.26307e+03   -3.02642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72841e+03    9.26703e+04    4.02347e+05   -2.34147e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65760e+04   -2.44490e+06    4.80133e+05   -1.96477e+06    2.36075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11279e+02   -2.07792e+02    6.06152e+01    5.82698e-06


DD  step 222774999 load imb.: force 17.6%  pme mesh/force 0.752
           Step           Time
      222775000   445550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25667e+03    1.94972e+04    1.31849e+04    1.14631e+03   -3.02221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74640e+03    9.28205e+04    3.95780e+05   -2.33627e+04   -2.97271e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65511e+04   -2.44711e+06    4.80833e+05   -1.96628e+06    2.36080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11733e+02   -2.06870e+02   -1.81988e+02    5.97251e-06


DD  step 222779999 load imb.: force 17.9%  pme mesh/force 0.790
           Step           Time
      222780000   445560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19972e+03    1.94917e+04    1.33613e+04    1.22004e+03   -3.05132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75690e+03    9.27097e+04    3.99752e+05   -2.34097e+04   -2.97559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67065e+04   -2.44585e+06    4.81862e+05   -1.96399e+06    2.36086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12400e+02   -2.07703e+02   -1.09260e+01    5.91942e-06


DD  step 222784999 load imb.: force 18.1%  pme mesh/force 0.797
           Step           Time
      222785000   445570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82338e+03    1.96130e+04    1.30267e+04    1.22983e+03   -3.01346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88953e+03    9.28037e+04    4.04382e+05   -2.34240e+04   -2.98360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65957e+04   -2.44968e+06    4.79672e+05   -1.97001e+06    2.36092e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.07956e+02    1.15061e+02    5.88635e-06


DD  step 222789999 load imb.: force 17.4%  pme mesh/force 0.766
           Step           Time
      222790000   445580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73532e+03    1.93987e+04    1.32282e+04    1.19606e+03   -3.03605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91837e+03    9.28580e+04    4.02717e+05   -2.33706e+04   -2.98087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64690e+04   -2.44876e+06    4.79731e+05   -1.96903e+06    2.36097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.07011e+02    3.87659e+01    5.98650e-06


DD  step 222794999 load imb.: force 18.0%  pme mesh/force 0.754
           Step           Time
      222795000   445590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01571e+03    1.95358e+04    1.30733e+04    1.15511e+03   -2.96037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78276e+03    9.25268e+04    3.97689e+05   -2.33523e+04   -2.97188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64718e+04   -2.44494e+06    4.81049e+05   -1.96390e+06    2.36103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11873e+02   -2.06687e+02   -3.12328e+01    5.73180e-06


DD  step 222799999 load imb.: force 17.8%  pme mesh/force 0.783
           Step           Time
      222800000   445600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74139e+03    1.91644e+04    1.28768e+04    1.22636e+03   -2.92435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79539e+03    9.28964e+04    3.98081e+05   -2.33697e+04   -2.97349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64119e+04   -2.44659e+06    4.79438e+05   -1.96715e+06    2.36109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.06995e+02   -7.34944e+01    5.65703e-06


DD  step 222804999 load imb.: force 18.5%  pme mesh/force 0.754
           Step           Time
      222805000   445610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79187e+03    1.95152e+04    1.31998e+04    1.20712e+03   -3.00435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93282e+03    9.23449e+04    4.03688e+05   -2.33745e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65702e+04   -2.44706e+06    4.80829e+05   -1.96623e+06    2.36115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11730e+02   -2.07080e+02    1.31343e+02    5.74662e-06


DD  step 222809999 load imb.: force 18.9%  pme mesh/force 0.777
           Step           Time
      222810000   445620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79844e+03    1.97731e+04    1.29548e+04    1.04609e+03   -3.03513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94577e+03    9.29180e+04    4.00371e+05   -2.33620e+04   -2.97935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64300e+04   -2.44951e+06    4.80559e+05   -1.96895e+06    2.36122e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11555e+02   -2.06858e+02    2.46644e+01    5.62855e-06


DD  step 222814999 load imb.: force 18.0%  pme mesh/force 0.773
           Step           Time
      222815000   445630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80136e+03    1.93557e+04    1.31084e+04    1.10808e+03   -3.01591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78773e+03    9.28333e+04    4.02056e+05   -2.33934e+04   -2.98137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65216e+04   -2.45020e+06    4.81051e+05   -1.96915e+06    2.36127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11874e+02   -2.07415e+02    3.98483e+01    5.77639e-06


DD  step 222819999 load imb.: force 19.3%  pme mesh/force 0.790
           Step           Time
      222820000   445640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08617e+03    1.93740e+04    1.29669e+04    1.22001e+03   -3.05262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75167e+03    9.29656e+04    3.98842e+05   -2.33635e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62567e+04   -2.44847e+06    4.79897e+05   -1.96857e+06    2.36133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11126e+02   -2.06885e+02   -7.84393e+01    5.96839e-06


DD  step 222824999 load imb.: force 19.3%  pme mesh/force 0.802
           Step           Time
      222825000   445650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70802e+03    1.93578e+04    1.33295e+04    1.19983e+03   -3.13503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97099e+03    9.34723e+04    3.97235e+05   -2.33834e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64612e+04   -2.44680e+06    4.78812e+05   -1.96799e+06    2.36139e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10422e+02   -2.07236e+02   -6.50026e+01    5.85816e-06


DD  step 222829999 load imb.: force 16.6%  pme mesh/force 0.771
           Step           Time
      222830000   445660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02384e+03    1.95746e+04    1.29820e+04    1.15772e+03   -3.04032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84227e+03    9.28704e+04    4.01633e+05   -2.34191e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66443e+04   -2.44893e+06    4.79681e+05   -1.96925e+06    2.36145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10986e+02   -2.07869e+02   -3.54599e-01    5.99727e-06


DD  step 222834999 load imb.: force 16.1%  pme mesh/force 0.742
           Step           Time
      222835000   445670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22395e+03    1.93660e+04    1.32780e+04    1.25883e+03   -3.04649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76393e+03    9.28445e+04    3.99199e+05   -2.34143e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64673e+04   -2.44866e+06    4.80011e+05   -1.96865e+06    2.36151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.07784e+02   -5.73897e+01    5.69573e-06


DD  step 222839999 load imb.: force 16.0%  pme mesh/force 0.744
           Step           Time
      222840000   445680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80956e+03    1.93957e+04    1.31061e+04    1.25458e+03   -3.06993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78535e+03    9.26495e+04    3.99389e+05   -2.33952e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63209e+04   -2.44894e+06    4.77860e+05   -1.97108e+06    2.36156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09805e+02   -2.07446e+02   -4.11232e+01    5.82797e-06


DD  step 222844999 load imb.: force 17.4%  pme mesh/force 0.733
           Step           Time
      222845000   445690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87632e+03    1.98693e+04    1.29963e+04    1.19870e+03   -3.12079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84216e+03    9.27644e+04    4.03006e+05   -2.33793e+04   -2.98089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65039e+04   -2.44834e+06    4.80241e+05   -1.96810e+06    2.36163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.07165e+02    1.36919e+02    5.86179e-06


DD  step 222849999 load imb.: force 18.6%  pme mesh/force 0.801
           Step           Time
      222850000   445700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91898e+03    1.96381e+04    1.31539e+04    1.19768e+03   -3.07462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92452e+03    9.25073e+04    4.00056e+05   -2.33878e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65811e+04   -2.44748e+06    4.81089e+05   -1.96639e+06    2.36168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11899e+02   -2.07315e+02    1.83518e+01    5.82763e-06


DD  step 222854999 load imb.: force 18.0%  pme mesh/force 0.770
           Step           Time
      222855000   445710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96565e+03    1.94043e+04    1.29140e+04    1.19245e+03   -2.99996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81195e+03    9.28091e+04    4.04287e+05   -2.34068e+04   -2.98186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66279e+04   -2.44826e+06    4.80501e+05   -1.96775e+06    2.36174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.07652e+02    1.42820e+02    5.73821e-06


DD  step 222859999 load imb.: force 17.8%  pme mesh/force 0.770
           Step           Time
      222860000   445720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06590e+03    1.94340e+04    1.31323e+04    1.18111e+03   -3.09972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78636e+03    9.28393e+04    3.99187e+05   -2.33343e+04   -2.97323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69487e+04   -2.44409e+06    4.78932e+05   -1.96516e+06    2.36180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.06368e+02   -8.48845e+01    5.67479e-06


DD  step 222864999 load imb.: force 18.5%  pme mesh/force 0.794
           Step           Time
      222865000   445730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04850e+03    1.93784e+04    1.30322e+04    1.17285e+03   -3.08249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83691e+03    9.30170e+04    4.01961e+05   -2.33950e+04   -2.97954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63241e+04   -2.44824e+06    4.78437e+05   -1.96980e+06    2.36187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10179e+02   -2.07442e+02    2.64670e+01    5.69464e-06


DD  step 222869999 load imb.: force 16.3%  pme mesh/force 0.742
           Step           Time
      222870000   445740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92624e+03    1.92250e+04    1.30426e+04    1.17304e+03   -2.96077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92694e+03    9.29553e+04    4.03346e+05   -2.34137e+04   -2.98080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63059e+04   -2.44827e+06    4.80666e+05   -1.96761e+06    2.36192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11624e+02   -2.07774e+02    1.29862e+02    5.70965e-06


DD  step 222874999 load imb.: force 18.1%  pme mesh/force 0.753
           Step           Time
      222875000   445750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36281e+03    1.93618e+04    1.31768e+04    1.16140e+03   -3.00864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78096e+03    9.24464e+04    4.01419e+05   -2.33801e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64185e+04   -2.44809e+06    4.79299e+05   -1.96879e+06    2.36198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.07179e+02   -7.56019e+01    5.75538e-06


DD  step 222879999 load imb.: force 17.7%  pme mesh/force 0.751
           Step           Time
      222880000   445760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80951e+03    1.93909e+04    1.30896e+04    1.09555e+03   -2.95597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86688e+03    9.25047e+04    3.99738e+05   -2.33670e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64276e+04   -2.44561e+06    4.80770e+05   -1.96484e+06    2.36204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11692e+02   -2.06948e+02    1.27653e+01    5.86577e-06


DD  step 222884999 load imb.: force 17.4%  pme mesh/force 0.781
           Step           Time
      222885000   445770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89151e+03    1.91287e+04    1.32828e+04    1.14258e+03   -2.99636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81185e+03    9.24140e+04    4.02131e+05   -2.33990e+04   -2.97995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63950e+04   -2.44915e+06    4.77988e+05   -1.97116e+06    2.36210e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09888e+02   -2.07514e+02    5.38970e+01    5.78838e-06


DD  step 222889999 load imb.: force 16.2%  pme mesh/force 0.737
           Step           Time
      222890000   445780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06735e+03    1.92172e+04    1.30707e+04    1.13899e+03   -2.98290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89950e+03    9.26745e+04    3.98448e+05   -2.33810e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64678e+04   -2.44747e+06    4.81365e+05   -1.96611e+06    2.36215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12078e+02   -2.07195e+02   -6.76939e+01    5.93277e-06


DD  step 222894999 load imb.: force 17.5%  pme mesh/force 0.753
           Step           Time
      222895000   445790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11425e+03    1.92130e+04    1.31206e+04    1.18597e+03   -3.01248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81845e+03    9.32498e+04    4.00752e+05   -2.33846e+04   -2.97517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64014e+04   -2.44471e+06    4.79966e+05   -1.96474e+06    2.36221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11170e+02   -2.07258e+02    3.78870e+01    5.92200e-06


DD  step 222899999 load imb.: force 16.8%  pme mesh/force 0.780
           Step           Time
      222900000   445800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91955e+03    1.95943e+04    1.28978e+04    1.10027e+03   -3.01233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89265e+03    9.28773e+04    4.01544e+05   -2.33638e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64646e+04   -2.44801e+06    4.80203e+05   -1.96781e+06    2.36227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11324e+02   -2.06890e+02    1.53819e+01    5.81982e-06


DD  step 222904999 load imb.: force 18.1%  pme mesh/force 0.737
           Step           Time
      222905000   445810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05247e+03    1.96612e+04    1.31322e+04    1.16056e+03   -3.00808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86332e+03    9.23831e+04    4.00832e+05   -2.33858e+04   -2.97533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64105e+04   -2.44523e+06    4.80640e+05   -1.96459e+06    2.36233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11607e+02   -2.07280e+02    4.79541e+01    5.78415e-06


DD  step 222909999 load imb.: force 17.2%  pme mesh/force 0.771
           Step           Time
      222910000   445820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05086e+03    1.94203e+04    1.28505e+04    1.15968e+03   -3.05336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95599e+03    9.25317e+04    4.02883e+05   -2.33682e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65009e+04   -2.44616e+06    4.79208e+05   -1.96695e+06    2.36239e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10679e+02   -2.06968e+02    9.82079e+01    5.86198e-06


DD  step 222914999 load imb.: force 16.0%  pme mesh/force 0.760
           Step           Time
      222915000   445830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18831e+03    1.89277e+04    1.30727e+04    1.19319e+03   -2.95520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77289e+03    9.26748e+04    4.00945e+05   -2.34009e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64638e+04   -2.44984e+06    4.78830e+05   -1.97101e+06    2.36245e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.07548e+02   -1.67479e+01    5.83700e-06


DD  step 222919999 load imb.: force 18.7%  pme mesh/force 0.736
           Step           Time
      222920000   445840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00388e+03    1.95637e+04    1.30440e+04    1.19971e+03   -3.02075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84906e+03    9.17448e+04    3.98516e+05   -2.33712e+04   -2.97198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64780e+04   -2.44497e+06    4.80368e+05   -1.96460e+06    2.36251e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11431e+02   -2.07020e+02   -3.12226e+01    5.82296e-06


DD  step 222924999 load imb.: force 16.9%  pme mesh/force 0.764
           Step           Time
      222925000   445850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00624e+03    1.93661e+04    1.30907e+04    1.21077e+03   -2.88477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86661e+03    9.27527e+04    4.00316e+05   -2.34101e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65955e+04   -2.44520e+06    4.80233e+05   -1.96496e+06    2.36257e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11344e+02   -2.07710e+02    6.21418e+01    5.63501e-06


DD  step 222929999 load imb.: force 16.0%  pme mesh/force 0.750
           Step           Time
      222930000   445860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09504e+03    1.94633e+04    1.30339e+04    1.14926e+03   -3.05285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90164e+03    9.28913e+04    4.00437e+05   -2.34373e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65400e+04   -2.44736e+06    4.79701e+05   -1.96766e+06    2.36263e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10999e+02   -2.08192e+02    7.41675e+01    5.67644e-06


DD  step 222934999 load imb.: force 16.9%  pme mesh/force 0.726
           Step           Time
      222935000   445870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97819e+03    1.96869e+04    1.30493e+04    1.20080e+03   -2.90635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80562e+03    9.28863e+04    4.02480e+05   -2.33488e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64375e+04   -2.44543e+06    4.79469e+05   -1.96596e+06    2.36269e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10849e+02   -2.06625e+02    3.34873e+01    5.61045e-06


DD  step 222939999 load imb.: force 15.9%  pme mesh/force 0.749
           Step           Time
      222940000   445880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18604e+03    1.93085e+04    1.31371e+04    1.16809e+03   -2.96136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84500e+03    9.27499e+04    4.00978e+05   -2.33521e+04   -2.97482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65533e+04   -2.44421e+06    4.80282e+05   -1.96393e+06    2.36274e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11376e+02   -2.06683e+02    1.74971e+01    5.88036e-06


DD  step 222944999 load imb.: force 16.6%  pme mesh/force 0.759
           Step           Time
      222945000   445890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10800e+03    1.91162e+04    1.32460e+04    1.21479e+03   -3.12519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78938e+03    9.25187e+04    4.01612e+05   -2.34003e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63808e+04   -2.44832e+06    4.79380e+05   -1.96894e+06    2.36280e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10791e+02   -2.07536e+02    4.37193e+01    5.74691e-06


DD  step 222949999 load imb.: force 16.5%  pme mesh/force 0.771
           Step           Time
      222950000   445900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06437e+03    1.92910e+04    1.29829e+04    1.17634e+03   -2.85185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70191e+03    9.26048e+04    3.98237e+05   -2.33621e+04   -2.97387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64729e+04   -2.44655e+06    4.79022e+05   -1.96753e+06    2.36286e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10559e+02   -2.06860e+02   -5.39103e+01    5.69364e-06


DD  step 222954999 load imb.: force 18.7%  pme mesh/force 0.750
           Step           Time
      222955000   445910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94295e+03    1.88703e+04    1.31621e+04    1.16261e+03   -3.01779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81289e+03    9.26793e+04    4.02558e+05   -2.34248e+04   -2.98024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64585e+04   -2.44904e+06    4.78310e+05   -1.97073e+06    2.36291e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10097e+02   -2.07970e+02    6.91108e+01    5.73902e-06


DD  step 222959999 load imb.: force 17.0%  pme mesh/force 0.741
           Step           Time
      222960000   445920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02197e+03    1.96083e+04    1.32156e+04    1.14452e+03   -3.07206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90891e+03    9.25512e+04    3.96689e+05   -2.33614e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65985e+04   -2.44869e+06    4.79677e+05   -1.96901e+06    2.36298e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10983e+02   -2.06848e+02   -1.09465e+02    5.76322e-06


DD  step 222964999 load imb.: force 15.9%  pme mesh/force 0.721
           Step           Time
      222965000   445930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88206e+03    1.93456e+04    1.30671e+04    1.18129e+03   -3.10068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85965e+03    9.26874e+04    4.01246e+05   -2.33846e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66873e+04   -2.44565e+06    4.79271e+05   -1.96638e+06    2.36303e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10720e+02   -2.07258e+02    2.51052e+01    5.63592e-06


DD  step 222969999 load imb.: force 16.8%  pme mesh/force 0.746
           Step           Time
      222970000   445940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99553e+03    1.94130e+04    1.31746e+04    1.18244e+03   -3.00337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79011e+03    9.22674e+04    4.01358e+05   -2.33764e+04   -2.97508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65361e+04   -2.44474e+06    4.80422e+05   -1.96432e+06    2.36309e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.07114e+02    5.75624e+01    5.70408e-06


DD  step 222974999 load imb.: force 16.1%  pme mesh/force 0.714
           Step           Time
      222975000   445950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20032e+03    1.91726e+04    1.30698e+04    1.16974e+03   -3.10170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80916e+03    9.27044e+04    4.00909e+05   -2.34249e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65076e+04   -2.44534e+06    4.79815e+05   -1.96552e+06    2.36315e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11073e+02   -2.07972e+02    6.06933e+01    5.77271e-06


DD  step 222979999 load imb.: force 15.3%  pme mesh/force 0.711
           Step           Time
      222980000   445960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95070e+03    1.93743e+04    1.33056e+04    1.24569e+03   -2.96409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81828e+03    9.24598e+04    4.02754e+05   -2.33937e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64514e+04   -2.44706e+06    4.79895e+05   -1.96716e+06    2.36321e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11124e+02   -2.07419e+02    7.71836e+01    5.70453e-06


DD  step 222984999 load imb.: force 16.8%  pme mesh/force 0.687
           Step           Time
      222985000   445970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96805e+03    1.91767e+04    1.32263e+04    1.18568e+03   -3.09670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77823e+03    9.26914e+04    4.00562e+05   -2.33773e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65109e+04   -2.44711e+06    4.80238e+05   -1.96687e+06    2.36327e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11347e+02   -2.07129e+02   -1.85589e+01    5.77540e-06


DD  step 222989999 load imb.: force 18.1%  pme mesh/force 0.739
           Step           Time
      222990000   445980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81026e+03    1.94587e+04    1.30159e+04    1.19705e+03   -3.05028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77077e+03    9.31246e+04    4.02549e+05   -2.33302e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65904e+04   -2.44624e+06    4.80655e+05   -1.96559e+06    2.36332e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11617e+02   -2.06296e+02    5.49955e+01    5.68805e-06


DD  step 222994999 load imb.: force 16.6%  pme mesh/force 0.725
           Step           Time
      222995000   445990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03440e+03    1.95271e+04    1.30180e+04    1.15613e+03   -2.99968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78106e+03    9.27469e+04    4.01080e+05   -2.33839e+04   -2.97851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64564e+04   -2.44809e+06    4.79616e+05   -1.96847e+06    2.36339e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.07245e+02    2.74501e+00    5.70504e-06


DD  step 222999999 load imb.: force 17.8%  pme mesh/force 0.763
           Step           Time
      223000000   446000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86463e+03    1.97906e+04    1.28457e+04    1.20528e+03   -2.93049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92335e+03    9.26810e+04    4.01002e+05   -2.34019e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61666e+04   -2.44910e+06    4.80417e+05   -1.96868e+06    2.36345e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11463e+02   -2.07564e+02    3.85159e+01    5.85513e-06


DD  step 223004999 load imb.: force 16.8%  pme mesh/force 0.720
           Step           Time
      223005000   446010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95466e+03    1.96699e+04    1.28582e+04    1.18878e+03   -2.94281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.10041e+03    9.24736e+04    4.02625e+05   -2.34065e+04   -2.98135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61635e+04   -2.44966e+06    4.81284e+05   -1.96838e+06    2.36350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12025e+02   -2.07646e+02    1.22455e+02    5.80306e-06


DD  step 223009999 load imb.: force 17.7%  pme mesh/force 0.746
           Step           Time
      223010000   446020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01955e+03    1.93932e+04    1.29993e+04    1.22428e+03   -3.01628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76253e+03    9.28227e+04    4.01071e+05   -2.33664e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62998e+04   -2.44913e+06    4.77932e+05   -1.97120e+06    2.36356e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09852e+02   -2.06936e+02   -4.27555e+01    5.82670e-06


DD  step 223014999 load imb.: force 17.6%  pme mesh/force 0.762
           Step           Time
      223015000   446030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22272e+03    1.93667e+04    1.32891e+04    1.18958e+03   -3.04508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88565e+03    9.29556e+04    4.02901e+05   -2.34132e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66092e+04   -2.44578e+06    4.79129e+05   -1.96665e+06    2.36362e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10628e+02   -2.07765e+02    1.19142e+02    5.84277e-06


DD  step 223019999 load imb.: force 16.6%  pme mesh/force 0.697
           Step           Time
      223020000   446040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89692e+03    1.94333e+04    1.30107e+04    1.21018e+03   -2.99793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88854e+03    9.29784e+04    4.01102e+05   -2.33972e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65463e+04   -2.44591e+06    4.81232e+05   -1.96468e+06    2.36368e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11991e+02   -2.07481e+02    7.12089e+01    5.70040e-06


DD  step 223024999 load imb.: force 19.8%  pme mesh/force 0.763
           Step           Time
      223025000   446050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17335e+03    1.94758e+04    1.29494e+04    1.15697e+03   -3.02067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81369e+03    9.26888e+04    4.03893e+05   -2.33673e+04   -2.98125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64845e+04   -2.44800e+06    4.79113e+05   -1.96889e+06    2.36374e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.06953e+02    8.67937e+01    5.79410e-06


DD  step 223029999 load imb.: force 17.5%  pme mesh/force 0.698
           Step           Time
      223030000   446060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95119e+03    1.95427e+04    1.30524e+04    1.08453e+03   -3.06128e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90933e+03    9.21527e+04    4.01082e+05   -2.33800e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64958e+04   -2.44734e+06    4.81418e+05   -1.96592e+06    2.36379e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12112e+02   -2.07176e+02    4.62082e+01    5.81884e-06


DD  step 223034999 load imb.: force 17.2%  pme mesh/force 0.711
           Step           Time
      223035000   446070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74850e+03    1.95549e+04    1.30644e+04    1.27586e+03   -3.08821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02837e+03    9.29960e+04    4.01399e+05   -2.33631e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66689e+04   -2.44406e+06    4.79205e+05   -1.96486e+06    2.36385e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10677e+02   -2.06877e+02    6.95810e+01    5.74374e-06


DD  step 223039999 load imb.: force 15.5%  pme mesh/force 0.726
           Step           Time
      223040000   446080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09540e+03    1.93891e+04    1.30532e+04    1.20779e+03   -3.03296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80717e+03    9.28208e+04    4.02487e+05   -2.34135e+04   -2.98046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63714e+04   -2.44868e+06    4.78686e+05   -1.96999e+06    2.36391e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.07771e+02    6.96919e+01    5.59627e-06


DD  step 223044999 load imb.: force 15.8%  pme mesh/force 0.753
           Step           Time
      223045000   446090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03251e+03    1.96129e+04    1.31574e+04    1.17866e+03   -3.02228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84126e+03    9.26426e+04    4.00854e+05   -2.33441e+04   -2.97293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67172e+04   -2.44226e+06    4.77226e+05   -1.96503e+06    2.36397e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09394e+02   -2.06542e+02    5.98942e+01    5.77155e-06


DD  step 223049999 load imb.: force 17.4%  pme mesh/force 0.750
           Step           Time
      223050000   446100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06200e+03    1.91948e+04    1.30935e+04    1.23781e+03   -3.09080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89643e+03    9.26172e+04    4.01133e+05   -2.33363e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67899e+04   -2.44704e+06    4.79364e+05   -1.96767e+06    2.36403e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.06404e+02    6.53754e+01    5.73410e-06


DD  step 223054999 load imb.: force 16.5%  pme mesh/force 0.717
           Step           Time
      223055000   446110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74630e+03    1.95113e+04    1.31661e+04    1.22862e+03   -3.07886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92158e+03    9.31552e+04    3.99677e+05   -2.33207e+04   -2.97332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64525e+04   -2.44386e+06    4.80756e+05   -1.96311e+06    2.36408e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11682e+02   -2.06129e+02    3.26778e+01    5.77767e-06


DD  step 223059999 load imb.: force 17.4%  pme mesh/force 0.739
           Step           Time
      223060000   446120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01749e+03    1.93169e+04    1.29882e+04    1.13711e+03   -2.94775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81116e+03    9.25120e+04    4.02558e+05   -2.33415e+04   -2.98220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65781e+04   -2.45057e+06    4.80911e+05   -1.96966e+06    2.36414e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11783e+02   -2.06496e+02   -3.56945e+01    5.70941e-06


DD  step 223064999 load imb.: force 17.2%  pme mesh/force 0.784
           Step           Time
      223065000   446130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85128e+03    1.93483e+04    1.31217e+04    1.15703e+03   -2.97787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88980e+03    9.31810e+04    4.01052e+05   -2.33461e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65261e+04   -2.44590e+06    4.78288e+05   -1.96762e+06    2.36420e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.06577e+02   -8.40523e+00    5.70650e-06

Writing checkpoint, step 223069650 at Tue Nov  7 21:46:28 2023



DD  step 223069999 load imb.: force 17.5%  pme mesh/force 0.749
           Step           Time
      223070000   446140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16920e+03    1.93610e+04    1.30936e+04    1.16073e+03   -3.05280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93529e+03    9.31516e+04    3.99582e+05   -2.33858e+04   -2.97266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65472e+04   -2.44309e+06    4.80275e+05   -1.96282e+06    2.36426e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.07280e+02   -6.72279e+00    5.83934e-06


DD  step 223074999 load imb.: force 16.7%  pme mesh/force 0.767
           Step           Time
      223075000   446150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05570e+03    1.95209e+04    1.30853e+04    1.20869e+03   -3.02380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92767e+03    9.26671e+04    3.99330e+05   -2.34268e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64739e+04   -2.44740e+06    4.79864e+05   -1.96754e+06    2.36432e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11104e+02   -2.08006e+02    1.62210e+01    5.77859e-06


DD  step 223079999 load imb.: force 16.3%  pme mesh/force 0.725
           Step           Time
      223080000   446160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34097e+03    1.92060e+04    1.31505e+04    1.15815e+03   -3.08361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67214e+03    9.29424e+04    4.03013e+05   -2.33790e+04   -2.98288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65995e+04   -2.45026e+06    4.80012e+05   -1.97025e+06    2.36438e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11201e+02   -2.07159e+02   -1.65141e+01    6.00224e-06


DD  step 223084999 load imb.: force 17.0%  pme mesh/force 0.749
           Step           Time
      223085000   446170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98429e+03    1.93498e+04    1.30711e+04    1.22156e+03   -3.11902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72797e+03    9.30307e+04    4.01286e+05   -2.33937e+04   -2.98144e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64740e+04   -2.45080e+06    4.78171e+05   -1.97263e+06    2.36444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10007e+02   -2.07419e+02   -7.45138e+01    5.73913e-06


DD  step 223089999 load imb.: force 16.5%  pme mesh/force 0.731
           Step           Time
      223090000   446180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87407e+03    1.92458e+04    1.29958e+04    1.27195e+03   -2.99257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83905e+03    9.27041e+04    3.99169e+05   -2.33995e+04   -2.97395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66241e+04   -2.44562e+06    4.79442e+05   -1.96618e+06    2.36449e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.07522e+02   -2.12174e+01    5.69192e-06


DD  step 223094999 load imb.: force 15.9%  pme mesh/force 0.766
           Step           Time
      223095000   446190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02173e+03    1.91285e+04    1.31621e+04    1.15136e+03   -3.07064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97190e+03    9.28630e+04    4.03865e+05   -2.33826e+04   -2.98115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64414e+04   -2.44800e+06    4.79495e+05   -1.96851e+06    2.36455e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.07223e+02    8.43648e+01    5.88863e-06


DD  step 223099999 load imb.: force 16.9%  pme mesh/force 0.739
           Step           Time
      223100000   446200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89216e+03    1.92277e+04    1.30846e+04    1.21438e+03   -3.14520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89889e+03    9.28018e+04    4.00903e+05   -2.33667e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65353e+04   -2.44763e+06    4.77560e+05   -1.97007e+06    2.36461e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09610e+02   -2.06941e+02    3.53830e+01    5.55664e-06


DD  step 223104999 load imb.: force 16.5%  pme mesh/force 0.731
           Step           Time
      223105000   446210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01860e+03    1.95149e+04    1.30306e+04    1.14290e+03   -3.01894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81640e+03    9.29609e+04    4.02479e+05   -2.34499e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65001e+04   -2.44706e+06    4.80026e+05   -1.96704e+06    2.36467e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.08415e+02    1.26843e+02    5.81460e-06


DD  step 223109999 load imb.: force 15.9%  pme mesh/force 0.724
           Step           Time
      223110000   446220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90776e+03    1.93030e+04    1.30867e+04    1.21864e+03   -3.07327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00998e+03    9.30604e+04    4.03324e+05   -2.34025e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62941e+04   -2.44530e+06    4.79835e+05   -1.96546e+06    2.36472e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11085e+02   -2.07575e+02    1.60356e+02    5.81285e-06


DD  step 223114999 load imb.: force 19.0%  pme mesh/force 0.769
           Step           Time
      223115000   446230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92063e+03    1.95526e+04    1.29385e+04    1.20660e+03   -3.02782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77139e+03    9.27510e+04    3.99888e+05   -2.34206e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63084e+04   -2.44898e+06    4.79202e+05   -1.96977e+06    2.36478e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10675e+02   -2.07895e+02   -4.72169e+01    5.64744e-06


DD  step 223119999 load imb.: force 16.7%  pme mesh/force 0.779
           Step           Time
      223120000   446240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03553e+03    1.93295e+04    1.30995e+04    1.18385e+03   -2.98326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80087e+03    9.25746e+04    4.01376e+05   -2.33613e+04   -2.97503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66030e+04   -2.44437e+06    4.80063e+05   -1.96431e+06    2.36484e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11234e+02   -2.06846e+02    4.22036e+01    5.63864e-06


DD  step 223124999 load imb.: force 17.7%  pme mesh/force 0.764
           Step           Time
      223125000   446250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88758e+03    1.93194e+04    1.29656e+04    1.20696e+03   -2.96712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88442e+03    9.27856e+04    4.01742e+05   -2.33998e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64297e+04   -2.44604e+06    4.79059e+05   -1.96698e+06    2.36490e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.07528e+02    9.04506e+01    5.74928e-06


DD  step 223129999 load imb.: force 16.6%  pme mesh/force 0.735
           Step           Time
      223130000   446260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33484e+03    1.93656e+04    1.31109e+04    1.21731e+03   -2.97777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86878e+03    9.29717e+04    3.99699e+05   -2.34149e+04   -2.97318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65157e+04   -2.44349e+06    4.80891e+05   -1.96260e+06    2.36496e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11770e+02   -2.07795e+02    4.97041e+01    5.72764e-06


DD  step 223134999 load imb.: force 16.6%  pme mesh/force 0.749
           Step           Time
      223135000   446270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96506e+03    1.96127e+04    1.30828e+04    1.22919e+03   -3.02019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90937e+03    9.29707e+04    3.99266e+05   -2.33492e+04   -2.97544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65206e+04   -2.44626e+06    4.81397e+05   -1.96486e+06    2.36501e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12098e+02   -2.06632e+02    1.45700e+01    5.73131e-06


DD  step 223139999 load imb.: force 16.7%  pme mesh/force 0.730
           Step           Time
      223140000   446280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14839e+03    1.93754e+04    1.29603e+04    1.21298e+03   -3.11554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81654e+03    9.26646e+04    4.01824e+05   -2.34096e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66804e+04   -2.44858e+06    4.80554e+05   -1.96802e+06    2.36507e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11552e+02   -2.07701e+02    7.49940e+01    5.76974e-06


DD  step 223144999 load imb.: force 16.0%  pme mesh/force 0.725
           Step           Time
      223145000   446290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07235e+03    1.94803e+04    1.30855e+04    1.19566e+03   -3.06934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68554e+03    9.28671e+04    4.00052e+05   -2.33593e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63853e+04   -2.44892e+06    4.81350e+05   -1.96757e+06    2.36513e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12068e+02   -2.06810e+02   -9.82994e+01    5.71463e-06


DD  step 223149999 load imb.: force 19.2%  pme mesh/force 0.767
           Step           Time
      223150000   446300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11616e+03    1.94674e+04    1.31639e+04    1.24137e+03   -3.06764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66522e+03    9.23932e+04    3.98355e+05   -2.33745e+04   -2.97027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64205e+04   -2.44289e+06    4.80921e+05   -1.96197e+06    2.36519e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11790e+02   -2.07080e+02   -3.82342e+01    5.71091e-06


DD  step 223154999 load imb.: force 16.1%  pme mesh/force 0.756
           Step           Time
      223155000   446310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20262e+03    1.90527e+04    1.29931e+04    1.13232e+03   -2.92349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91147e+03    9.30646e+04    4.00211e+05   -2.33864e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64357e+04   -2.44844e+06    4.77894e+05   -1.97054e+06    2.36525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09827e+02   -2.07290e+02   -3.09683e+01    5.75149e-06


DD  step 223159999 load imb.: force 16.3%  pme mesh/force 0.724
           Step           Time
      223160000   446320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88632e+03    1.93239e+04    1.32435e+04    1.18582e+03   -3.07129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00862e+03    9.26596e+04    3.99546e+05   -2.33851e+04   -2.97389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63855e+04   -2.44511e+06    4.79532e+05   -1.96558e+06    2.36531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.07267e+02    9.33629e+00    5.65993e-06


DD  step 223164999 load imb.: force 16.1%  pme mesh/force 0.770
           Step           Time
      223165000   446330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24537e+03    1.97467e+04    1.30192e+04    1.25026e+03   -3.13687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69570e+03    9.29126e+04    3.99532e+05   -2.33890e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63610e+04   -2.45006e+06    4.79713e+05   -1.97034e+06    2.36537e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11006e+02   -2.07336e+02   -1.08502e+02    5.69916e-06


DD  step 223169999 load imb.: force 17.2%  pme mesh/force 0.737
           Step           Time
      223170000   446340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03593e+03    1.94263e+04    1.30670e+04    1.29458e+03   -3.05489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81803e+03    9.29247e+04    4.01809e+05   -2.33573e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61870e+04   -2.44756e+06    4.81679e+05   -1.96588e+06    2.36542e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12281e+02   -2.06776e+02    2.22471e+01    5.76255e-06


DD  step 223174999 load imb.: force 18.2%  pme mesh/force 0.757
           Step           Time
      223175000   446350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79212e+03    1.92713e+04    1.30702e+04    1.14292e+03   -3.03840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67326e+03    9.28556e+04    3.99300e+05   -2.33934e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64796e+04   -2.44898e+06    4.79464e+05   -1.96952e+06    2.36548e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10845e+02   -2.07413e+02   -6.21399e+01    5.46012e-06


DD  step 223179999 load imb.: force 18.0%  pme mesh/force 0.783
           Step           Time
      223180000   446360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95999e+03    1.93795e+04    1.32263e+04    1.23915e+03   -3.08104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88979e+03    9.24811e+04    4.00830e+05   -2.33863e+04   -2.98061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65968e+04   -2.45047e+06    4.76526e+05   -1.97395e+06    2.36555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08940e+02   -2.07289e+02   -2.62477e+01    5.46893e-06


DD  step 223184999 load imb.: force 16.7%  pme mesh/force 0.731
           Step           Time
      223185000   446370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09346e+03    1.90650e+04    1.28753e+04    1.15762e+03   -2.92961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89718e+03    9.32092e+04    4.01088e+05   -2.34221e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64892e+04   -2.44861e+06    4.79685e+05   -1.96892e+06    2.36560e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10988e+02   -2.07923e+02    1.95686e+01    5.62755e-06


DD  step 223189999 load imb.: force 17.0%  pme mesh/force 0.715
           Step           Time
      223190000   446380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90879e+03    1.95304e+04    1.30196e+04    1.27396e+03   -3.02908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81424e+03    9.29299e+04    4.05161e+05   -2.34068e+04   -2.98167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64313e+04   -2.44704e+06    4.80453e+05   -1.96658e+06    2.36566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.07652e+02    1.77394e+02    5.70304e-06


DD  step 223194999 load imb.: force 18.8%  pme mesh/force 0.746
           Step           Time
      223195000   446390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84051e+03    1.91815e+04    1.30094e+04    1.15010e+03   -2.93012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85825e+03    9.25724e+04    4.00547e+05   -2.33912e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67090e+04   -2.44807e+06    4.80582e+05   -1.96749e+06    2.36571e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11570e+02   -2.07376e+02    6.65720e+00    5.82789e-06


DD  step 223199999 load imb.: force 17.7%  pme mesh/force 0.745
           Step           Time
      223200000   446400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10347e+03    1.92513e+04    1.29603e+04    1.11591e+03   -2.97984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75507e+03    9.29968e+04    3.99663e+05   -2.33762e+04   -2.97304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65407e+04   -2.44401e+06    4.78062e+05   -1.96595e+06    2.36578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09936e+02   -2.07109e+02   -8.29716e+00    5.69021e-06


DD  step 223204999 load imb.: force 16.3%  pme mesh/force 0.765
           Step           Time
      223205000   446410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09395e+03    1.94107e+04    1.31047e+04    1.26938e+03   -3.14069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70321e+03    9.25691e+04    4.03370e+05   -2.34012e+04   -2.97944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65442e+04   -2.44692e+06    4.79476e+05   -1.96744e+06    2.36583e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.07552e+02    9.69716e+01    5.50941e-06


DD  step 223209999 load imb.: force 17.5%  pme mesh/force 0.767
           Step           Time
      223210000   446420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02982e+03    1.97357e+04    1.30782e+04    1.11299e+03   -2.96896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90774e+03    9.25513e+04    4.01081e+05   -2.34646e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63156e+04   -2.44574e+06    4.79561e+05   -1.96618e+06    2.36589e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10908e+02   -2.08678e+02    9.45128e+01    5.71841e-06


DD  step 223214999 load imb.: force 17.6%  pme mesh/force 0.766
           Step           Time
      223215000   446430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11982e+03    1.91959e+04    1.30201e+04    1.29589e+03   -3.10811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80758e+03    9.28882e+04    4.07125e+05   -2.34327e+04   -2.98476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65607e+04   -2.44829e+06    4.79311e+05   -1.96898e+06    2.36595e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10746e+02   -2.08110e+02    2.26391e+02    5.63183e-06


DD  step 223219999 load imb.: force 19.8%  pme mesh/force 0.794
           Step           Time
      223220000   446440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68535e+03    1.93372e+04    1.30521e+04    1.20790e+03   -2.96647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82122e+03    9.31860e+04    4.00700e+05   -2.33679e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65531e+04   -2.44946e+06    4.77216e+05   -1.97224e+06    2.36601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09388e+02   -2.06962e+02   -9.12564e+00    5.61808e-06


DD  step 223224999 load imb.: force 16.4%  pme mesh/force 0.799
           Step           Time
      223225000   446450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68572e+03    1.91953e+04    1.29611e+04    1.17747e+03   -3.03348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91921e+03    9.32737e+04    4.03750e+05   -2.34090e+04   -2.98159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65530e+04   -2.44852e+06    4.78891e+05   -1.96963e+06    2.36607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10474e+02   -2.07690e+02    1.57195e+02    5.58071e-06


DD  step 223229999 load imb.: force 16.2%  pme mesh/force 0.783
           Step           Time
      223230000   446460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98655e+03    1.95172e+04    1.31123e+04    1.19351e+03   -3.03049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88623e+03    9.27306e+04    3.99922e+05   -2.34085e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64427e+04   -2.44678e+06    4.81735e+05   -1.96504e+06    2.36612e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12318e+02   -2.07682e+02   -2.79007e+01    5.62600e-06


DD  step 223234999 load imb.: force 16.8%  pme mesh/force 0.758
           Step           Time
      223235000   446470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27060e+03    1.96366e+04    1.28212e+04    1.22453e+03   -2.97924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79967e+03    9.28420e+04    4.04292e+05   -2.33630e+04   -2.97905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66652e+04   -2.44484e+06    4.78552e+05   -1.96629e+06    2.36619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.06877e+02    7.73848e+01    5.59497e-06


DD  step 223239999 load imb.: force 16.0%  pme mesh/force 0.744
           Step           Time
      223240000   446480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03691e+03    1.95342e+04    1.29932e+04    1.18808e+03   -3.07762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76484e+03    9.31295e+04    4.00483e+05   -2.33549e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65012e+04   -2.44500e+06    4.78732e+05   -1.96627e+06    2.36624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10370e+02   -2.06733e+02   -1.23187e+01    5.65656e-06


DD  step 223244999 load imb.: force 18.6%  pme mesh/force 0.774
           Step           Time
      223245000   446490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34997e+03    1.93367e+04    1.29577e+04    1.19196e+03   -3.04654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64951e+03    9.29842e+04    3.96444e+05   -2.33717e+04   -2.97019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66657e+04   -2.44403e+06    4.79561e+05   -1.96447e+06    2.36630e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10908e+02   -2.07031e+02   -1.12682e+02    5.67294e-06


DD  step 223249999 load imb.: force 17.3%  pme mesh/force 0.758
           Step           Time
      223250000   446500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27436e+03    1.95533e+04    1.30248e+04    1.18613e+03   -3.01222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66837e+03    9.27987e+04    4.00680e+05   -2.33892e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66279e+04   -2.44692e+06    4.78201e+05   -1.96872e+06    2.36636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10026e+02   -2.07340e+02   -7.21230e+01    5.67341e-06


DD  step 223254999 load imb.: force 15.5%  pme mesh/force 0.757
           Step           Time
      223255000   446510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11782e+03    1.95109e+04    1.33001e+04    1.19797e+03   -3.05587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78447e+03    9.25030e+04    4.00006e+05   -2.34207e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64575e+04   -2.44822e+06    4.78079e+05   -1.97014e+06    2.36642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09947e+02   -2.07898e+02   -3.84280e+01    5.71548e-06


DD  step 223259999 load imb.: force 18.3%  pme mesh/force 0.747
           Step           Time
      223260000   446520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01010e+03    1.91679e+04    1.31014e+04    1.19744e+03   -3.04470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70561e+03    9.27621e+04    4.00369e+05   -2.33846e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64815e+04   -2.44609e+06    4.80027e+05   -1.96606e+06    2.36647e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.07259e+02    2.06196e+01    5.83114e-06


DD  step 223264999 load imb.: force 17.3%  pme mesh/force 0.771
           Step           Time
      223265000   446530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98807e+03    1.94081e+04    1.28885e+04    1.21012e+03   -3.06772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86323e+03    9.27126e+04    4.03684e+05   -2.33732e+04   -2.97995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64507e+04   -2.44719e+06    4.82369e+05   -1.96482e+06    2.36653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12728e+02   -2.07057e+02    9.55051e+01    5.66479e-06


DD  step 223269999 load imb.: force 18.1%  pme mesh/force 0.777
           Step           Time
      223270000   446540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94731e+03    1.93331e+04    1.30128e+04    1.22179e+03   -3.02992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89111e+03    9.28320e+04    3.96938e+05   -2.33724e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64090e+04   -2.44879e+06    4.80566e+05   -1.96822e+06    2.36658e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11560e+02   -2.07042e+02   -1.48963e+02    5.71927e-06


DD  step 223274999 load imb.: force 16.1%  pme mesh/force 0.762
           Step           Time
      223275000   446550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02291e+03    1.97030e+04    1.30229e+04    1.15526e+03   -2.92083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92869e+03    9.28536e+04    4.00438e+05   -2.33395e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64975e+04   -2.44604e+06    4.79911e+05   -1.96613e+06    2.36665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.06461e+02   -3.88992e+01    5.87949e-06


DD  step 223279999 load imb.: force 16.8%  pme mesh/force 0.731
           Step           Time
      223280000   446560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10525e+03    1.91499e+04    1.32259e+04    1.15042e+03   -2.94616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90235e+03    9.29064e+04    4.00478e+05   -2.33628e+04   -2.97931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65141e+04   -2.44919e+06    4.78962e+05   -1.97023e+06    2.36671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.06873e+02   -5.47701e+01    5.64400e-06


DD  step 223284999 load imb.: force 16.0%  pme mesh/force 0.746
           Step           Time
      223285000   446570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98406e+03    1.93936e+04    1.30879e+04    1.16678e+03   -3.00705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89706e+03    9.27400e+04    3.99132e+05   -2.33328e+04   -2.97352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66359e+04   -2.44482e+06    4.78663e+05   -1.96616e+06    2.36676e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10326e+02   -2.06343e+02   -1.25744e+01    5.64306e-06


DD  step 223289999 load imb.: force 17.7%  pme mesh/force 0.770
           Step           Time
      223290000   446580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83106e+03    1.90454e+04    1.30601e+04    1.19559e+03   -3.09817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88573e+03    9.29222e+04    3.98346e+05   -2.34019e+04   -2.97607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63585e+04   -2.44893e+06    4.77782e+05   -1.97115e+06    2.36682e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09755e+02   -2.07565e+02   -8.92817e+01    5.75938e-06


DD  step 223294999 load imb.: force 17.5%  pme mesh/force 0.735
           Step           Time
      223295000   446590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27157e+03    1.95170e+04    1.31903e+04    1.13786e+03   -3.14462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82850e+03    9.32699e+04    3.98590e+05   -2.33759e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65783e+04   -2.44801e+06    4.79589e+05   -1.96842e+06    2.36688e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10926e+02   -2.07104e+02   -6.29718e+01    5.66859e-06


DD  step 223299999 load imb.: force 17.5%  pme mesh/force 0.752
           Step           Time
      223300000   446600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96188e+03    1.91624e+04    1.28002e+04    1.15134e+03   -2.98293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82111e+03    9.29220e+04    4.01260e+05   -2.34664e+04   -2.97857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63324e+04   -2.44860e+06    4.76314e+05   -1.97229e+06    2.36694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08803e+02   -2.08710e+02    7.74496e+01    5.72170e-06


DD  step 223304999 load imb.: force 16.0%  pme mesh/force 0.742
           Step           Time
      223305000   446610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01470e+03    1.91878e+04    1.28558e+04    1.22208e+03   -3.07879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75194e+03    9.29635e+04    3.99958e+05   -2.34157e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65762e+04   -2.44883e+06    4.80382e+05   -1.96845e+06    2.36700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11440e+02   -2.07809e+02   -3.55750e+01    5.69088e-06


DD  step 223309999 load imb.: force 16.8%  pme mesh/force 0.755
           Step           Time
      223310000   446620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03334e+03    1.97721e+04    1.30727e+04    1.24151e+03   -2.96878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88040e+03    9.29219e+04    4.01384e+05   -2.33776e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63992e+04   -2.44615e+06    4.81472e+05   -1.96467e+06    2.36705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12147e+02   -2.07134e+02    2.04615e+01    5.51754e-06


DD  step 223314999 load imb.: force 17.4%  pme mesh/force 0.760
           Step           Time
      223315000   446630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91408e+03    1.92137e+04    1.31046e+04    1.20499e+03   -3.13780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93312e+03    9.33506e+04    3.98367e+05   -2.33396e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66758e+04   -2.44556e+06    4.76416e+05   -1.96914e+06    2.36711e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08869e+02   -2.06462e+02   -7.28051e+01    5.87945e-06


DD  step 223319999 load imb.: force 15.4%  pme mesh/force 0.731
           Step           Time
      223320000   446640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07817e+03    1.93757e+04    1.31348e+04    1.26735e+03   -3.00302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93923e+03    9.36540e+04    4.02366e+05   -2.34067e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65753e+04   -2.44571e+06    4.79107e+05   -1.96660e+06    2.36717e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.07649e+02    1.11727e+02    5.64540e-06


DD  step 223324999 load imb.: force 17.3%  pme mesh/force 0.803
           Step           Time
      223325000   446650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85384e+03    1.91287e+04    1.30621e+04    1.13933e+03   -2.95125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82927e+03    9.31973e+04    3.95485e+05   -2.34000e+04   -2.97288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63053e+04   -2.44823e+06    4.82449e+05   -1.96578e+06    2.36722e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12780e+02   -2.07531e+02   -1.32226e+02    5.64167e-06


DD  step 223329999 load imb.: force 15.7%  pme mesh/force 0.745
           Step           Time
      223330000   446660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07626e+03    1.91212e+04    1.30262e+04    1.15894e+03   -3.02036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77620e+03    9.31206e+04    3.99053e+05   -2.33516e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66067e+04   -2.44787e+06    4.79446e+05   -1.96842e+06    2.36728e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.06674e+02   -9.71031e+01    5.65245e-06


DD  step 223334999 load imb.: force 17.6%  pme mesh/force 0.779
           Step           Time
      223335000   446670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97961e+03    1.91171e+04    1.31515e+04    1.24361e+03   -3.08379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94033e+03    9.31319e+04    4.01339e+05   -2.33806e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65794e+04   -2.44670e+06    4.78677e+05   -1.96802e+06    2.36734e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10335e+02   -2.07188e+02    4.07591e+01    5.67939e-06


DD  step 223339999 load imb.: force 18.8%  pme mesh/force 0.791
           Step           Time
      223340000   446680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85615e+03    1.92197e+04    1.30554e+04    1.14417e+03   -2.88892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80519e+03    9.35194e+04    3.99939e+05   -2.33936e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64199e+04   -2.44810e+06    4.80333e+05   -1.96777e+06    2.36740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.07418e+02    3.99139e+01    5.75527e-06


DD  step 223344999 load imb.: force 16.5%  pme mesh/force 0.748
           Step           Time
      223345000   446690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04180e+03    1.91770e+04    1.30444e+04    1.23344e+03   -2.98432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85978e+03    9.33203e+04    4.00073e+05   -2.33943e+04   -2.98126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63793e+04   -2.45151e+06    4.81236e+05   -1.97027e+06    2.36745e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11994e+02   -2.07430e+02   -3.50674e+01    5.63397e-06


DD  step 223349999 load imb.: force 17.3%  pme mesh/force 0.791
           Step           Time
      223350000   446700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99747e+03    1.93802e+04    1.30247e+04    1.10297e+03   -2.94298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86256e+03    9.35883e+04    4.00504e+05   -2.33886e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65053e+04   -2.44548e+06    4.80123e+05   -1.96535e+06    2.36751e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11272e+02   -2.07329e+02    9.52818e+00    5.48649e-06


DD  step 223354999 load imb.: force 16.7%  pme mesh/force 0.775
           Step           Time
      223355000   446710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20400e+03    1.93237e+04    1.29728e+04    1.27800e+03   -3.01484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86049e+03    9.25446e+04    4.02125e+05   -2.33783e+04   -2.97796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64628e+04   -2.44659e+06    4.78088e+05   -1.96850e+06    2.36757e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09953e+02   -2.07147e+02    2.16319e+01    5.73311e-06


DD  step 223359999 load imb.: force 18.7%  pme mesh/force 0.812
           Step           Time
      223360000   446720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93501e+03    1.96784e+04    1.30853e+04    1.22804e+03   -3.02360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83559e+03    9.28854e+04    4.02085e+05   -2.33971e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62960e+04   -2.44825e+06    4.80541e+05   -1.96771e+06    2.36763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.07480e+02    5.02242e+01    5.72462e-06


DD  step 223364999 load imb.: force 18.5%  pme mesh/force 0.810
           Step           Time
      223365000   446730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68654e+03    1.94943e+04    1.30616e+04    1.20440e+03   -3.04001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93303e+03    9.33887e+04    3.98233e+05   -2.33315e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64106e+04   -2.44614e+06    4.78412e+05   -1.96773e+06    2.36769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10163e+02   -2.06319e+02   -8.05807e+01    5.70870e-06


DD  step 223369999 load imb.: force 16.7%  pme mesh/force 0.786
           Step           Time
      223370000   446740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15874e+03    1.93626e+04    1.31139e+04    1.09177e+03   -3.11835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70445e+03    9.34372e+04    4.00925e+05   -2.34066e+04   -2.97607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66708e+04   -2.44513e+06    4.78730e+05   -1.96640e+06    2.36775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10369e+02   -2.07648e+02    9.41182e+00    5.62126e-06


DD  step 223374999 load imb.: force 18.5%  pme mesh/force 0.765
           Step           Time
      223375000   446750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08587e+03    1.95559e+04    1.29961e+04    1.10343e+03   -2.91108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96421e+03    9.34166e+04    3.99431e+05   -2.33909e+04   -2.97628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65878e+04   -2.44644e+06    4.78911e+05   -1.96753e+06    2.36781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10487e+02   -2.07369e+02    1.62279e+01    5.69923e-06


DD  step 223379999 load imb.: force 16.1%  pme mesh/force 0.749
           Step           Time
      223380000   446760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18396e+03    1.94066e+04    1.30277e+04    1.11417e+03   -2.99681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84800e+03    9.30430e+04    4.00369e+05   -2.33638e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64391e+04   -2.44691e+06    4.82506e+05   -1.96440e+06    2.36786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12817e+02   -2.06891e+02   -1.77055e+01    5.53151e-06


DD  step 223384999 load imb.: force 17.2%  pme mesh/force 0.761
           Step           Time
      223385000   446770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07706e+03    1.93405e+04    1.30078e+04    1.23677e+03   -2.95804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68859e+03    9.32888e+04    3.99937e+05   -2.33203e+04   -2.97388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63165e+04   -2.44426e+06    4.79150e+05   -1.96511e+06    2.36792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.06122e+02   -2.42383e+01    5.64579e-06


DD  step 223389999 load imb.: force 16.8%  pme mesh/force 0.788
           Step           Time
      223390000   446780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88670e+03    1.90677e+04    1.29719e+04    1.13954e+03   -2.89533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88910e+03    9.33572e+04    4.00178e+05   -2.33606e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66133e+04   -2.44917e+06    4.78889e+05   -1.97028e+06    2.36798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10472e+02   -2.06834e+02   -2.72273e+01    5.54633e-06


DD  step 223394999 load imb.: force 17.3%  pme mesh/force 0.789
           Step           Time
      223395000   446790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29002e+03    1.95112e+04    1.29325e+04    1.19427e+03   -2.89176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69871e+03    9.26199e+04    4.02682e+05   -2.33757e+04   -2.98119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63281e+04   -2.44920e+06    4.79529e+05   -1.96967e+06    2.36804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.07100e+02   -3.61682e+01    5.55171e-06

Writing checkpoint, step 223398450 at Tue Nov  7 22:01:28 2023



DD  step 223399999 load imb.: force 17.5%  pme mesh/force 0.789
           Step           Time
      223400000   446800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90266e+03    1.90129e+04    1.31511e+04    1.15292e+03   -3.09342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95599e+03    9.36085e+04    4.02415e+05   -2.33745e+04   -2.98091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63199e+04   -2.44886e+06    4.79356e+05   -1.96950e+06    2.36810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.07079e+02    1.46235e+01    5.60277e-06


DD  step 223404999 load imb.: force 15.5%  pme mesh/force 0.776
           Step           Time
      223405000   446810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09630e+03    1.93585e+04    1.33399e+04    1.14134e+03   -2.93455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83556e+03    9.29323e+04    4.01440e+05   -2.33882e+04   -2.97761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63090e+04   -2.44648e+06    4.79438e+05   -1.96704e+06    2.36816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.07322e+02    3.63726e+01    5.70636e-06


DD  step 223409999 load imb.: force 16.6%  pme mesh/force 0.758
           Step           Time
      223410000   446820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59411e+03    1.93123e+04    1.33508e+04    1.22190e+03   -3.06054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90505e+03    9.33621e+04    4.03425e+05   -2.33679e+04   -2.98006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68553e+04   -2.44646e+06    4.77887e+05   -1.96858e+06    2.36822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09822e+02   -2.06963e+02    9.49820e+01    5.71442e-06


DD  step 223414999 load imb.: force 16.1%  pme mesh/force 0.759
           Step           Time
      223415000   446830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16432e+03    1.92764e+04    1.30163e+04    1.21203e+03   -2.97093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86835e+03    9.31345e+04    4.01768e+05   -2.33607e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66034e+04   -2.44468e+06    4.80874e+05   -1.96381e+06    2.36827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11759e+02   -2.06836e+02    5.40309e+01    5.68667e-06


DD  step 223419999 load imb.: force 17.9%  pme mesh/force 0.773
           Step           Time
      223420000   446840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00469e+03    1.92294e+04    1.29558e+04    1.20307e+03   -3.09247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74305e+03    9.32362e+04    4.00391e+05   -2.33736e+04   -2.97974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64580e+04   -2.44998e+06    4.77768e+05   -1.97221e+06    2.36833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09745e+02   -2.07064e+02   -4.96362e+01    5.58881e-06


DD  step 223424999 load imb.: force 18.1%  pme mesh/force 0.769
           Step           Time
      223425000   446850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64126e+03    1.92441e+04    1.30874e+04    1.17602e+03   -2.98052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91558e+03    9.33001e+04    4.02550e+05   -2.34110e+04   -2.98358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64698e+04   -2.45159e+06    4.77402e+05   -1.97419e+06    2.36839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09508e+02   -2.07726e+02    5.49550e+01    5.65635e-06


DD  step 223429999 load imb.: force 18.2%  pme mesh/force 0.778
           Step           Time
      223430000   446860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03903e+03    1.91824e+04    1.28965e+04    1.23794e+03   -3.04978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84347e+03    9.33212e+04    3.99483e+05   -2.33412e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64481e+04   -2.44621e+06    4.78560e+05   -1.96765e+06    2.36845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10259e+02   -2.06490e+02   -3.53342e+01    5.61786e-06


DD  step 223434999 load imb.: force 16.8%  pme mesh/force 0.743
           Step           Time
      223435000   446870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03424e+03    1.94435e+04    1.32932e+04    1.12106e+03   -3.02188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81206e+03    9.33237e+04    4.01408e+05   -2.33854e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66096e+04   -2.44553e+06    4.78710e+05   -1.96682e+06    2.36851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10356e+02   -2.07272e+02    6.08781e+01    5.53136e-06


DD  step 223439999 load imb.: force 18.0%  pme mesh/force 0.785
           Step           Time
      223440000   446880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92818e+03    1.95636e+04    1.31788e+04    1.16934e+03   -3.09798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67254e+03    9.28469e+04    4.02559e+05   -2.34035e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66535e+04   -2.44694e+06    4.78516e+05   -1.96842e+06    2.36857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10230e+02   -2.07593e+02    4.50747e+01    5.59730e-06


DD  step 223444999 load imb.: force 17.6%  pme mesh/force 0.766
           Step           Time
      223445000   446890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17962e+03    1.94781e+04    1.30867e+04    1.21656e+03   -3.04799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69058e+03    9.30334e+04    3.96823e+05   -2.33575e+04   -2.97148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64830e+04   -2.44490e+06    4.80042e+05   -1.96486e+06    2.36862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.06780e+02   -9.20470e+01    5.46786e-06


DD  step 223449999 load imb.: force 16.9%  pme mesh/force 0.770
           Step           Time
      223450000   446900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90785e+03    1.95912e+04    1.31629e+04    1.32133e+03   -2.96174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80354e+03    9.34516e+04    4.01436e+05   -2.33943e+04   -2.98052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65971e+04   -2.44860e+06    4.81126e+05   -1.96747e+06    2.36868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11922e+02   -2.07429e+02    4.88885e+01    5.54070e-06


DD  step 223454999 load imb.: force 17.7%  pme mesh/force 0.771
           Step           Time
      223455000   446910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87115e+03    1.92842e+04    1.29997e+04    1.21859e+03   -3.04468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93176e+03    9.35442e+04    4.00303e+05   -2.33579e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66426e+04   -2.44789e+06    4.79283e+05   -1.96861e+06    2.36874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10728e+02   -2.06786e+02    3.21134e+01    5.59841e-06


DD  step 223459999 load imb.: force 17.2%  pme mesh/force 0.789
           Step           Time
      223460000   446920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76076e+03    1.93219e+04    1.29497e+04    1.14481e+03   -2.96415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90377e+03    9.40297e+04    3.98766e+05   -2.33767e+04   -2.97395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66767e+04   -2.44474e+06    4.79477e+05   -1.96526e+06    2.36880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.07118e+02    4.57245e-01    5.40453e-06


DD  step 223464999 load imb.: force 16.6%  pme mesh/force 0.763
           Step           Time
      223465000   446930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10514e+03    1.95850e+04    1.30803e+04    1.19841e+03   -3.01822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80665e+03    9.32308e+04    3.99479e+05   -2.33844e+04   -2.97447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65634e+04   -2.44482e+06    4.79668e+05   -1.96515e+06    2.36886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10977e+02   -2.07254e+02    1.80274e+01    5.57907e-06


DD  step 223469999 load imb.: force 17.2%  pme mesh/force 0.799
           Step           Time
      223470000   446940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79608e+03    1.92836e+04    1.30613e+04    1.19187e+03   -2.98940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86684e+03    9.35633e+04    4.00488e+05   -2.34203e+04   -2.98107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63917e+04   -2.45084e+06    4.77564e+05   -1.97327e+06    2.36891e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09613e+02   -2.07890e+02   -4.97447e+00    5.60665e-06


DD  step 223474999 load imb.: force 17.5%  pme mesh/force 0.782
           Step           Time
      223475000   446950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97245e+03    1.94104e+04    1.31937e+04    1.22931e+03   -2.94365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90430e+03    9.34875e+04    3.99551e+05   -2.33671e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65377e+04   -2.44496e+06    4.78992e+05   -1.96597e+06    2.36897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10539e+02   -2.06949e+02   -1.60397e+01    5.55203e-06


DD  step 223479999 load imb.: force 17.6%  pme mesh/force 0.770
           Step           Time
      223480000   446960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12589e+03    1.96350e+04    1.30155e+04    1.20703e+03   -2.89631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86277e+03    9.32904e+04    4.01130e+05   -2.34478e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64692e+04   -2.44744e+06    4.78806e+05   -1.96863e+06    2.36903e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10419e+02   -2.08378e+02    3.85321e+01    5.52528e-06


DD  step 223484999 load imb.: force 15.9%  pme mesh/force 0.730
           Step           Time
      223485000   446970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87728e+03    1.92610e+04    1.30556e+04    1.30202e+03   -2.93705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88976e+03    9.35676e+04    4.00803e+05   -2.33975e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61956e+04   -2.44916e+06    4.79745e+05   -1.96941e+06    2.36908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11027e+02   -2.07486e+02    4.11992e+01    5.54589e-06


DD  step 223489999 load imb.: force 17.3%  pme mesh/force 0.799
           Step           Time
      223490000   446980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93562e+03    1.94916e+04    1.30257e+04    1.14956e+03   -3.00590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96185e+03    9.31336e+04    4.02714e+05   -2.34001e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63500e+04   -2.44774e+06    4.81899e+05   -1.96584e+06    2.36914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12424e+02   -2.07534e+02    1.16515e+02    5.68194e-06


DD  step 223494999 load imb.: force 16.5%  pme mesh/force 0.798
           Step           Time
      223495000   446990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97704e+03    1.92931e+04    1.28812e+04    1.11748e+03   -2.97171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79386e+03    9.34451e+04    4.00657e+05   -2.33987e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64662e+04   -2.44845e+06    4.79906e+05   -1.96855e+06    2.36919e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.07509e+02    4.11048e+01    5.59520e-06


DD  step 223499999 load imb.: force 18.6%  pme mesh/force 0.790
           Step           Time
      223500000   447000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89998e+03    1.91916e+04    1.30252e+04    1.24376e+03   -2.93862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88580e+03    9.31656e+04    4.00500e+05   -2.33739e+04   -2.97933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64529e+04   -2.44928e+06    4.78551e+05   -1.97073e+06    2.36925e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.07069e+02   -2.08606e+01    5.53916e-06


DD  step 223504999 load imb.: force 17.5%  pme mesh/force 0.760
           Step           Time
      223505000   447010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67684e+03    1.94403e+04    1.29682e+04    1.20670e+03   -2.95701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78065e+03    9.32928e+04    4.01988e+05   -2.33522e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65255e+04   -2.44783e+06    4.79325e+05   -1.96851e+06    2.36931e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.06685e+02    5.43201e+01    5.67853e-06


DD  step 223509999 load imb.: force 17.1%  pme mesh/force 0.792
           Step           Time
      223510000   447020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96799e+03    1.95239e+04    1.31729e+04    1.15050e+03   -2.98184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85528e+03    9.32239e+04    3.99317e+05   -2.33950e+04   -2.97322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66557e+04   -2.44373e+06    4.81758e+05   -1.96198e+06    2.36937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12332e+02   -2.07443e+02   -2.57478e+00    5.76579e-06


DD  step 223514999 load imb.: force 17.5%  pme mesh/force 0.781
           Step           Time
      223515000   447030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26170e+03    1.94982e+04    1.31498e+04    1.30010e+03   -3.03872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71290e+03    9.32775e+04    4.01199e+05   -2.33632e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64888e+04   -2.44561e+06    4.81739e+05   -1.96388e+06    2.36943e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12320e+02   -2.06880e+02    5.09768e+01    5.79096e-06


DD  step 223519999 load imb.: force 16.6%  pme mesh/force 0.758
           Step           Time
      223520000   447040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87836e+03    1.95736e+04    1.31187e+04    1.18689e+03   -2.99877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89857e+03    9.28685e+04    4.04592e+05   -2.33869e+04   -2.98218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65199e+04   -2.44793e+06    4.79723e+05   -1.96821e+06    2.36949e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11013e+02   -2.07298e+02    1.52024e+02    5.62034e-06


DD  step 223524999 load imb.: force 16.4%  pme mesh/force 0.740
           Step           Time
      223525000   447050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17152e+03    1.95528e+04    1.31248e+04    1.21407e+03   -3.08161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81851e+03    9.33747e+04    4.00950e+05   -2.33930e+04   -2.97452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66867e+04   -2.44310e+06    4.80610e+05   -1.96249e+06    2.36955e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11588e+02   -2.07408e+02    5.63637e+01    5.56309e-06


DD  step 223529999 load imb.: force 16.3%  pme mesh/force 0.748
           Step           Time
      223530000   447060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80114e+03    1.96582e+04    1.30548e+04    1.23755e+03   -3.06717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77056e+03    9.31522e+04    4.02766e+05   -2.34214e+04   -2.98129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63026e+04   -2.44904e+06    4.80317e+05   -1.96872e+06    2.36960e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11398e+02   -2.07910e+02    4.21487e+01    5.69395e-06


DD  step 223534999 load imb.: force 18.3%  pme mesh/force 0.796
           Step           Time
      223535000   447070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20224e+03    1.98883e+04    1.29848e+04    1.14927e+03   -3.01915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82223e+03    9.31433e+04    3.98145e+05   -2.34240e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64682e+04   -2.44846e+06    4.77253e+05   -1.97120e+06    2.36966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09412e+02   -2.07957e+02   -2.86048e+01    5.63260e-06


DD  step 223539999 load imb.: force 19.5%  pme mesh/force 0.802
           Step           Time
      223540000   447080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97171e+03    1.93211e+04    1.28384e+04    1.17319e+03   -2.85209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90230e+03    9.31070e+04    3.99069e+05   -2.33790e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64308e+04   -2.44611e+06    4.79377e+05   -1.96674e+06    2.36972e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.07159e+02   -3.04418e+01    5.69547e-06


DD  step 223544999 load imb.: force 17.2%  pme mesh/force 0.759
           Step           Time
      223545000   447090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93105e+03    1.92908e+04    1.29285e+04    1.19861e+03   -3.05239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86548e+03    9.36219e+04    3.99258e+05   -2.34361e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63941e+04   -2.44651e+06    4.77949e+05   -1.96856e+06    2.36977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09863e+02   -2.08171e+02    3.38938e+01    5.66462e-06


DD  step 223549999 load imb.: force 18.6%  pme mesh/force 0.776
           Step           Time
      223550000   447100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94395e+03    1.91146e+04    1.28906e+04    1.16759e+03   -3.02577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79022e+03    9.33556e+04    4.00849e+05   -2.33947e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64724e+04   -2.44846e+06    4.80972e+05   -1.96749e+06    2.36983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11822e+02   -2.07437e+02   -5.25702e+00    5.70854e-06


DD  step 223554999 load imb.: force 17.3%  pme mesh/force 0.786
           Step           Time
      223555000   447110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97786e+03    1.93260e+04    1.29609e+04    1.20524e+03   -2.94433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84355e+03    9.34422e+04    4.01414e+05   -2.33990e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63897e+04   -2.44716e+06    4.79299e+05   -1.96786e+06    2.36989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.07513e+02    4.02259e+01    5.69977e-06


DD  step 223559999 load imb.: force 18.5%  pme mesh/force 0.778
           Step           Time
      223560000   447120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79204e+03    1.94048e+04    1.30627e+04    1.18757e+03   -2.92439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81060e+03    9.30680e+04    4.01123e+05   -2.33491e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64914e+04   -2.44814e+06    4.80926e+05   -1.96721e+06    2.36995e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11793e+02   -2.06630e+02   -1.74623e+01    5.78699e-06


DD  step 223564999 load imb.: force 17.6%  pme mesh/force 0.798
           Step           Time
      223565000   447130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95753e+03    1.91339e+04    1.30573e+04    1.16069e+03   -3.05122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91954e+03    9.30522e+04    4.00593e+05   -2.33645e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63232e+04   -2.44752e+06    4.80888e+05   -1.96663e+06    2.37000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11769e+02   -2.06903e+02    3.73835e+01    5.67651e-06


DD  step 223569999 load imb.: force 17.0%  pme mesh/force 0.762
           Step           Time
      223570000   447140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.43631e+03    1.92838e+04    1.30789e+04    1.15630e+03   -2.89690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81049e+03    9.28209e+04    3.98667e+05   -2.33444e+04   -2.97241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65353e+04   -2.44386e+06    4.78482e+05   -1.96538e+06    2.37007e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10209e+02   -2.06546e+02   -7.57126e+01    5.55470e-06


DD  step 223574999 load imb.: force 17.8%  pme mesh/force 0.790
           Step           Time
      223575000   447150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09819e+03    1.92525e+04    1.30334e+04    1.16019e+03   -2.85246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76603e+03    9.32075e+04    3.99751e+05   -2.33783e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65029e+04   -2.44654e+06    4.79693e+05   -1.96685e+06    2.37012e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.07148e+02   -1.28009e+01    5.71781e-06


DD  step 223579999 load imb.: force 18.3%  pme mesh/force 0.792
           Step           Time
      223580000   447160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98748e+03    1.96337e+04    1.29802e+04    1.15799e+03   -2.92269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93215e+03    9.28638e+04    3.99864e+05   -2.33906e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63925e+04   -2.44605e+06    4.80815e+05   -1.96523e+06    2.37018e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11721e+02   -2.07365e+02    2.91946e+01    5.78680e-06


DD  step 223584999 load imb.: force 16.6%  pme mesh/force 0.763
           Step           Time
      223585000   447170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87024e+03    1.93551e+04    1.31314e+04    1.19203e+03   -2.94443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82408e+03    9.32510e+04    4.00994e+05   -2.33598e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65874e+04   -2.44587e+06    4.79781e+05   -1.96609e+06    2.37024e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.06820e+02    1.73601e+00    5.70378e-06


DD  step 223589999 load imb.: force 18.2%  pme mesh/force 0.775
           Step           Time
      223590000   447180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26286e+03    1.95379e+04    1.30126e+04    1.28383e+03   -3.06392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74943e+03    9.36383e+04    4.01992e+05   -2.33881e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66670e+04   -2.44208e+06    4.81238e+05   -1.96085e+06    2.37030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11995e+02   -2.07320e+02    1.23099e+02    5.81144e-06


DD  step 223594999 load imb.: force 18.4%  pme mesh/force 0.796
           Step           Time
      223595000   447190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02033e+03    1.96626e+04    1.28743e+04    1.12980e+03   -2.95276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61674e+03    9.27833e+04    3.99628e+05   -2.33893e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65237e+04   -2.44818e+06    4.80689e+05   -1.96749e+06    2.37035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.07341e+02   -8.94214e+01    5.62757e-06


DD  step 223599999 load imb.: force 17.5%  pme mesh/force 0.735
           Step           Time
      223600000   447200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13135e+03    1.92795e+04    1.31915e+04    1.18908e+03   -3.04306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78217e+03    9.36799e+04    3.99932e+05   -2.33655e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66748e+04   -2.44788e+06    4.79561e+05   -1.96832e+06    2.37042e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10908e+02   -2.06921e+02   -7.00330e+01    5.55922e-06


DD  step 223604999 load imb.: force 19.0%  pme mesh/force 0.789
           Step           Time
      223605000   447210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87336e+03    1.92808e+04    1.31277e+04    1.23158e+03   -2.96035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93195e+03    9.37461e+04    3.99921e+05   -2.33300e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65399e+04   -2.44743e+06    4.78665e+05   -1.96876e+06    2.37047e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10327e+02   -2.06293e+02   -5.07893e+01    5.59961e-06


DD  step 223609999 load imb.: force 18.3%  pme mesh/force 0.814
           Step           Time
      223610000   447220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.42151e+03    1.93864e+04    1.31969e+04    1.16924e+03   -3.05083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79262e+03    9.32921e+04    3.99040e+05   -2.33173e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65924e+04   -2.44417e+06    4.80131e+05   -1.96404e+06    2.37053e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11278e+02   -2.06069e+02   -7.03113e+01    5.63983e-06


DD  step 223614999 load imb.: force 16.9%  pme mesh/force 0.752
           Step           Time
      223615000   447230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10879e+03    1.96920e+04    1.29953e+04    1.18792e+03   -3.08310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78703e+03    9.34012e+04    4.00840e+05   -2.33760e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64518e+04   -2.44624e+06    4.80579e+05   -1.96566e+06    2.37059e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11568e+02   -2.07106e+02   -8.51561e+00    5.71259e-06


DD  step 223619999 load imb.: force 18.3%  pme mesh/force 0.806
           Step           Time
      223620000   447240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14932e+03    1.94025e+04    1.30891e+04    1.18371e+03   -3.05725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86318e+03    9.38869e+04    4.01983e+05   -2.34075e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65512e+04   -2.44563e+06    4.81383e+05   -1.96424e+06    2.37065e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12089e+02   -2.07663e+02    7.20738e+01    5.67099e-06


DD  step 223624999 load imb.: force 18.0%  pme mesh/force 0.779
           Step           Time
      223625000   447250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08572e+03    1.92218e+04    1.30325e+04    1.23816e+03   -3.01708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79619e+03    9.34553e+04    4.00176e+05   -2.34169e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64169e+04   -2.44903e+06    4.76828e+05   -1.97220e+06    2.37071e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09136e+02   -2.07831e+02   -1.37137e+01    5.56898e-06


DD  step 223629999 load imb.: force 18.1%  pme mesh/force 0.787
           Step           Time
      223630000   447260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89731e+03    1.94578e+04    1.31306e+04    1.29456e+03   -3.06348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89037e+03    9.35850e+04    4.00825e+05   -2.33867e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64477e+04   -2.44586e+06    4.81060e+05   -1.96480e+06    2.37076e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11880e+02   -2.07295e+02    9.69107e+00    5.60411e-06


DD  step 223634999 load imb.: force 16.4%  pme mesh/force 0.756
           Step           Time
      223635000   447270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36340e+03    1.92602e+04    1.31611e+04    1.14158e+03   -3.00325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93489e+03    9.31154e+04    3.99859e+05   -2.33935e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64686e+04   -2.44565e+06    4.79981e+05   -1.96567e+06    2.37083e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11180e+02   -2.07415e+02   -2.17033e+01    5.63838e-06


DD  step 223639999 load imb.: force 18.6%  pme mesh/force 0.811
           Step           Time
      223640000   447280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04419e+03    1.95369e+04    1.31418e+04    1.13416e+03   -3.04633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84573e+03    9.30639e+04    4.02025e+05   -2.33918e+04   -2.98111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63465e+04   -2.44941e+06    4.79507e+05   -1.96990e+06    2.37088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10873e+02   -2.07386e+02    1.42471e+01    5.83750e-06


DD  step 223644999 load imb.: force 18.9%  pme mesh/force 0.798
           Step           Time
      223645000   447290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88562e+03    1.92374e+04    1.29674e+04    1.18552e+03   -2.98464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86181e+03    9.36715e+04    4.03955e+05   -2.34329e+04   -2.98278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65732e+04   -2.44886e+06    4.77928e+05   -1.97093e+06    2.37094e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09850e+02   -2.08114e+02    9.94395e+01    5.60940e-06


DD  step 223649999 load imb.: force 18.1%  pme mesh/force 0.804
           Step           Time
      223650000   447300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86354e+03    1.94967e+04    1.29177e+04    1.14596e+03   -3.01850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77731e+03    9.31875e+04    4.01403e+05   -2.34000e+04   -2.98196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63000e+04   -2.45128e+06    4.78440e+05   -1.97284e+06    2.37099e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10181e+02   -2.07531e+02   -3.06424e+00    5.62470e-06


DD  step 223654999 load imb.: force 17.6%  pme mesh/force 0.779
           Step           Time
      223655000   447310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19608e+03    1.95914e+04    1.32183e+04    1.10634e+03   -3.02183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75588e+03    9.32814e+04    4.00990e+05   -2.33924e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68242e+04   -2.44411e+06    4.81221e+05   -1.96289e+06    2.37105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11984e+02   -2.07397e+02   -1.94772e+01    5.71658e-06


DD  step 223659999 load imb.: force 18.5%  pme mesh/force 0.805
           Step           Time
      223660000   447320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17481e+03    1.96661e+04    1.29341e+04    1.15778e+03   -2.87215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68811e+03    9.31049e+04    4.01962e+05   -2.34027e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65039e+04   -2.44556e+06    4.81434e+05   -1.96412e+06    2.37111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12122e+02   -2.07579e+02    5.45567e+01    5.71962e-06


DD  step 223664999 load imb.: force 16.9%  pme mesh/force 0.807
           Step           Time
      223665000   447330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94658e+03    1.93221e+04    1.32198e+04    1.17389e+03   -2.97965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76350e+03    9.33721e+04    3.98204e+05   -2.34249e+04   -2.97461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64640e+04   -2.44655e+06    4.78356e+05   -1.96819e+06    2.37117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10127e+02   -2.07972e+02    1.40740e+01    5.83266e-06


DD  step 223669999 load imb.: force 18.1%  pme mesh/force 0.773
           Step           Time
      223670000   447340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69433e+03    1.95092e+04    1.29750e+04    1.18072e+03   -3.08124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87524e+03    9.36845e+04    4.01521e+05   -2.34166e+04   -2.98167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65108e+04   -2.45021e+06    4.82093e+05   -1.96812e+06    2.37123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12549e+02   -2.07826e+02    3.93220e+01    5.78954e-06


DD  step 223674999 load imb.: force 17.3%  pme mesh/force 0.760
           Step           Time
      223675000   447350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92818e+03    1.93057e+04    1.29652e+04    1.13844e+03   -2.95244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77483e+03    9.38945e+04    4.01970e+05   -2.33925e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64199e+04   -2.44623e+06    4.79197e+05   -1.96704e+06    2.37129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10672e+02   -2.07397e+02    4.14138e+01    5.61745e-06


DD  step 223679999 load imb.: force 18.0%  pme mesh/force 0.786
           Step           Time
      223680000   447360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.40762e+03    1.94178e+04    1.30984e+04    1.18767e+03   -3.09872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91882e+03    9.29201e+04    4.00933e+05   -2.33307e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65071e+04   -2.44691e+06    4.81969e+05   -1.96494e+06    2.37135e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12469e+02   -2.06305e+02   -5.73642e+01    5.92289e-06


DD  step 223684999 load imb.: force 18.0%  pme mesh/force 0.785
           Step           Time
      223685000   447370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94014e+03    1.92094e+04    1.30326e+04    1.13044e+03   -2.96019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89498e+03    9.32710e+04    3.98169e+05   -2.34188e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64852e+04   -2.44627e+06    4.77520e+05   -1.96875e+06    2.37140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09585e+02   -2.07865e+02   -3.47586e+01    5.70657e-06


DD  step 223689999 load imb.: force 16.3%  pme mesh/force 0.779
           Step           Time
      223690000   447380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05844e+03    1.95790e+04    1.29692e+04    1.20500e+03   -3.01266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83449e+03    9.36557e+04    3.99989e+05   -2.34122e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63948e+04   -2.44739e+06    4.79579e+05   -1.96781e+06    2.37146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.07747e+02   -2.23165e+01    5.66569e-06


DD  step 223694999 load imb.: force 19.0%  pme mesh/force 0.749
           Step           Time
      223695000   447390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82135e+03    1.94673e+04    1.29913e+04    1.21854e+03   -2.96013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81349e+03    9.29883e+04    3.98992e+05   -2.33268e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67058e+04   -2.44498e+06    4.76455e+05   -1.96853e+06    2.37152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08894e+02   -2.06236e+02   -4.75477e+01    5.89709e-06


DD  step 223699999 load imb.: force 18.4%  pme mesh/force 0.821
           Step           Time
      223700000   447400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22398e+03    1.92879e+04    1.29183e+04    1.20024e+03   -2.91325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89984e+03    9.28904e+04    3.98943e+05   -2.33758e+04   -2.97189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66190e+04   -2.44320e+06    4.78114e+05   -1.96508e+06    2.37157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09970e+02   -2.07102e+02    4.94371e+00    5.76539e-06


DD  step 223704999 load imb.: force 19.2%  pme mesh/force 0.796
           Step           Time
      223705000   447410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23948e+03    1.93916e+04    1.29414e+04    1.16098e+03   -2.96947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82660e+03    9.27629e+04    4.03493e+05   -2.34200e+04   -2.98027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63592e+04   -2.44749e+06    4.79795e+05   -1.96769e+06    2.37163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.07886e+02    1.05219e+02    5.75187e-06


DD  step 223709999 load imb.: force 18.2%  pme mesh/force 0.800
           Step           Time
      223710000   447420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01451e+03    1.96163e+04    1.31675e+04    1.19899e+03   -2.99248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82115e+03    9.32636e+04    4.00012e+05   -2.33716e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64702e+04   -2.44547e+06    4.80976e+05   -1.96449e+06    2.37169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11825e+02   -2.07028e+02    4.64043e+00    5.80557e-06


DD  step 223714999 load imb.: force 18.2%  pme mesh/force 0.789
           Step           Time
      223715000   447430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27374e+03    1.91107e+04    1.31941e+04    1.15840e+03   -2.90666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75874e+03    9.35892e+04    4.03272e+05   -2.33509e+04   -2.97953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66002e+04   -2.44583e+06    4.77626e+05   -1.96821e+06    2.37175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09654e+02   -2.06663e+02    5.70446e+01    5.64374e-06


DD  step 223719999 load imb.: force 19.6%  pme mesh/force 0.793
           Step           Time
      223720000   447440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24106e+03    1.91602e+04    1.29400e+04    1.18940e+03   -2.94596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82537e+03    9.32734e+04    4.03136e+05   -2.33387e+04   -2.98017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66127e+04   -2.44708e+06    4.80190e+05   -1.96689e+06    2.37181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11316e+02   -2.06446e+02    1.55055e+00    5.55205e-06

Writing checkpoint, step 223720950 at Tue Nov  7 22:16:28 2023



DD  step 223724999 load imb.: force 18.9%  pme mesh/force 0.834
           Step           Time
      223725000   447450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03003e+03    1.93986e+04    1.32424e+04    1.21832e+03   -2.98661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74959e+03    9.30337e+04    3.97952e+05   -2.33973e+04   -2.97262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63998e+04   -2.44498e+06    4.79298e+05   -1.96569e+06    2.37186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.07483e+02   -5.38145e+01    5.56415e-06


DD  step 223729999 load imb.: force 17.8%  pme mesh/force 0.808
           Step           Time
      223730000   447460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06502e+03    1.95998e+04    1.30415e+04    1.11028e+03   -2.93975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78475e+03    9.29959e+04    4.02576e+05   -2.33956e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63851e+04   -2.44738e+06    4.81321e+05   -1.96606e+06    2.37192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12049e+02   -2.07454e+02    4.29534e+01    5.55974e-06


DD  step 223734999 load imb.: force 18.6%  pme mesh/force 0.787
           Step           Time
      223735000   447470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12562e+03    1.94592e+04    1.29895e+04    1.17706e+03   -2.84647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81825e+03    9.28922e+04    4.00757e+05   -2.33911e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65794e+04   -2.44723e+06    4.80029e+05   -1.96720e+06    2.37198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11211e+02   -2.07374e+02   -2.32842e+01    5.70270e-06


DD  step 223739999 load imb.: force 19.1%  pme mesh/force 0.797
           Step           Time
      223740000   447480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20607e+03    1.92778e+04    1.31619e+04    1.10950e+03   -2.96868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77108e+03    9.32387e+04    4.02541e+05   -2.34367e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64551e+04   -2.44678e+06    4.78945e+05   -1.96783e+06    2.37204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10509e+02   -2.08182e+02    8.43392e+01    5.70602e-06


DD  step 223744999 load imb.: force 17.9%  pme mesh/force 0.780
           Step           Time
      223745000   447490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23212e+03    1.94113e+04    1.31948e+04    1.22545e+03   -3.11867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73113e+03    9.28507e+04    4.01411e+05   -2.34058e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64019e+04   -2.44831e+06    4.80960e+05   -1.96735e+06    2.37210e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11815e+02   -2.07633e+02   -1.80209e+00    5.39332e-06


DD  step 223749999 load imb.: force 18.9%  pme mesh/force 0.821
           Step           Time
      223750000   447500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82889e+03    1.91361e+04    1.32629e+04    1.23807e+03   -3.07908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87825e+03    9.37312e+04    4.01950e+05   -2.33679e+04   -2.98286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66300e+04   -2.45066e+06    4.80465e+05   -1.97019e+06    2.37215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11494e+02   -2.06963e+02    2.49235e+01    5.68825e-06


DD  step 223754999 load imb.: force 19.3%  pme mesh/force 0.795
           Step           Time
      223755000   447510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97229e+03    1.94918e+04    1.30299e+04    1.23381e+03   -2.96525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72197e+03    9.32914e+04    4.01461e+05   -2.33611e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64066e+04   -2.44728e+06    4.78853e+05   -1.96842e+06    2.37221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.06842e+02    1.55135e+00    5.58768e-06


DD  step 223759999 load imb.: force 19.1%  pme mesh/force 0.809
           Step           Time
      223760000   447520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73893e+03    1.95746e+04    1.30753e+04    1.28163e+03   -2.96548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74606e+03    9.33287e+04    3.99002e+05   -2.33873e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65519e+04   -2.44698e+06    4.79601e+05   -1.96738e+06    2.37227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.07306e+02   -5.24212e+01    5.64694e-06


DD  step 223764999 load imb.: force 22.3%  pme mesh/force 0.793
           Step           Time
      223765000   447530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17651e+03    1.97879e+04    1.30821e+04    1.26687e+03   -2.98569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87572e+03    9.29375e+04    4.01757e+05   -2.34000e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63616e+04   -2.44800e+06    4.79325e+05   -1.96867e+06    2.37233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.07531e+02    6.47266e+01    5.40638e-06


DD  step 223769999 load imb.: force 19.8%  pme mesh/force 0.788
           Step           Time
      223770000   447540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10391e+03    1.96159e+04    1.31031e+04    1.14451e+03   -3.00356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85823e+03    9.27118e+04    3.96440e+05   -2.33516e+04   -2.97036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66556e+04   -2.44409e+06    4.79370e+05   -1.96472e+06    2.37238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10784e+02   -2.06674e+02   -6.53405e+01    5.46873e-06


DD  step 223774999 load imb.: force 19.8%  pme mesh/force 0.817
           Step           Time
      223775000   447550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85256e+03    1.92727e+04    1.29433e+04    1.21026e+03   -2.92402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87155e+03    9.33551e+04    4.00432e+05   -2.33816e+04   -2.98021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64824e+04   -2.45010e+06    4.78794e+05   -1.97131e+06    2.37244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10411e+02   -2.07205e+02    3.12900e+01    5.52043e-06


DD  step 223779999 load imb.: force 21.5%  pme mesh/force 0.806
           Step           Time
      223780000   447560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17173e+03    1.92774e+04    1.29378e+04    1.09484e+03   -3.01307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85907e+03    9.30265e+04    3.99526e+05   -2.34282e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62703e+04   -2.44876e+06    4.78865e+05   -1.96990e+06    2.37250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10457e+02   -2.08031e+02   -5.68734e+01    5.55697e-06


DD  step 223784999 load imb.: force 17.7%  pme mesh/force 0.775
           Step           Time
      223785000   447570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86595e+03    1.90254e+04    1.31583e+04    1.15045e+03   -3.01053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92791e+03    9.39905e+04    4.02494e+05   -2.33932e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44560e+06    4.80147e+05   -1.96546e+06    2.37256e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11288e+02   -2.07411e+02    1.11036e+02    5.59217e-06


DD  step 223789999 load imb.: force 20.7%  pme mesh/force 0.805
           Step           Time
      223790000   447580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92971e+03    1.93049e+04    1.30766e+04    1.20995e+03   -3.04754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81231e+03    9.35919e+04    3.97105e+05   -2.33474e+04   -2.97272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65330e+04   -2.44556e+06    4.80792e+05   -1.96476e+06    2.37261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11706e+02   -2.06599e+02   -1.02274e+02    5.75460e-06


DD  step 223794999 load imb.: force 19.6%  pme mesh/force 0.800
           Step           Time
      223795000   447590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15019e+03    1.93317e+04    1.31359e+04    1.15275e+03   -2.87924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67612e+03    9.36987e+04    4.00624e+05   -2.33992e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66048e+04   -2.44723e+06    4.79949e+05   -1.96728e+06    2.37268e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11160e+02   -2.07518e+02   -4.53458e+01    5.63978e-06


DD  step 223799999 load imb.: force 18.5%  pme mesh/force 0.763
           Step           Time
      223800000   447600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74606e+03    1.95026e+04    1.29376e+04    1.18693e+03   -3.00725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86113e+03    9.35010e+04    4.01027e+05   -2.33525e+04   -2.98029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65591e+04   -2.44933e+06    4.78754e+05   -1.97057e+06    2.37273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10385e+02   -2.06690e+02   -5.92470e+00    5.64275e-06


DD  step 223804999 load imb.: force 19.1%  pme mesh/force 0.795
           Step           Time
      223805000   447610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99393e+03    1.95665e+04    1.30076e+04    1.21348e+03   -3.10716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79093e+03    9.35308e+04    4.01481e+05   -2.33957e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65011e+04   -2.44819e+06    4.81689e+05   -1.96650e+06    2.37279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12287e+02   -2.07455e+02    5.03766e+01    5.75434e-06


DD  step 223809999 load imb.: force 19.0%  pme mesh/force 0.824
           Step           Time
      223810000   447620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89723e+03    1.96037e+04    1.31688e+04    1.23292e+03   -3.05895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78058e+03    9.30435e+04    4.01257e+05   -2.33985e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63984e+04   -2.44770e+06    4.79589e+05   -1.96811e+06    2.37285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10926e+02   -2.07505e+02    2.73966e+01    5.65691e-06


DD  step 223814999 load imb.: force 17.9%  pme mesh/force 0.785
           Step           Time
      223815000   447630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88894e+03    1.95829e+04    1.30032e+04    1.15474e+03   -2.94024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82700e+03    9.32793e+04    4.01173e+05   -2.34170e+04   -2.97985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64003e+04   -2.44890e+06    4.78261e+05   -1.97064e+06    2.37291e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10065e+02   -2.07832e+02    3.23327e+01    5.68873e-06


DD  step 223819999 load imb.: force 18.3%  pme mesh/force 0.766
           Step           Time
      223820000   447640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.41028e+03    1.95382e+04    1.30164e+04    1.16125e+03   -3.09322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79021e+03    9.31844e+04    4.00186e+05   -2.33919e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65170e+04   -2.44601e+06    4.83303e+05   -1.96271e+06    2.37297e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13334e+02   -2.07388e+02   -4.54662e+01    5.83247e-06


DD  step 223824999 load imb.: force 19.0%  pme mesh/force 0.807
           Step           Time
      223825000   447650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07279e+03    1.94168e+04    1.29968e+04    1.20882e+03   -2.93316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62223e+03    9.28891e+04    3.96496e+05   -2.33677e+04   -2.97320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64551e+04   -2.44734e+06    4.78671e+05   -1.96867e+06    2.37302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10331e+02   -2.06960e+02   -1.47385e+02    5.70828e-06


DD  step 223829999 load imb.: force 18.6%  pme mesh/force 0.807
           Step           Time
      223830000   447660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16279e+03    1.96926e+04    1.31818e+04    1.21850e+03   -3.01764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76265e+03    9.29420e+04    4.00363e+05   -2.33738e+04   -2.97448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66232e+04   -2.44392e+06    4.78960e+05   -1.96496e+06    2.37308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10518e+02   -2.07067e+02    3.22177e+01    5.58341e-06


DD  step 223834999 load imb.: force 19.7%  pme mesh/force 0.768
           Step           Time
      223835000   447670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95342e+03    1.96871e+04    1.29902e+04    1.16624e+03   -3.02576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82584e+03    9.33080e+04    4.00254e+05   -2.33137e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68291e+04   -2.44447e+06    4.78645e+05   -1.96582e+06    2.37314e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10314e+02   -2.06004e+02    7.89485e+00    5.68932e-06


DD  step 223839999 load imb.: force 20.0%  pme mesh/force 0.822
           Step           Time
      223840000   447680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94461e+03    1.90220e+04    1.30708e+04    1.10768e+03   -3.05346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82607e+03    9.40197e+04    3.99326e+05   -2.33578e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64335e+04   -2.44712e+06    4.79363e+05   -1.96775e+06    2.37320e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.06784e+02   -4.08984e+01    5.56546e-06


DD  step 223844999 load imb.: force 19.0%  pme mesh/force 0.791
           Step           Time
      223845000   447690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19034e+03    1.98182e+04    1.31165e+04    1.15614e+03   -3.14381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82893e+03    9.33557e+04    3.97496e+05   -2.33306e+04   -2.97217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67163e+04   -2.44397e+06    4.81289e+05   -1.96268e+06    2.37326e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12028e+02   -2.06304e+02   -8.34299e+01    5.59053e-06


DD  step 223849999 load imb.: force 19.4%  pme mesh/force 0.809
           Step           Time
      223850000   447700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91596e+03    1.93667e+04    1.29827e+04    1.20778e+03   -3.00987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85072e+03    9.35753e+04    4.01234e+05   -2.33973e+04   -2.97946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65002e+04   -2.44823e+06    4.79239e+05   -1.96899e+06    2.37331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10699e+02   -2.07484e+02    5.93765e+01    5.65353e-06


DD  step 223854999 load imb.: force 19.5%  pme mesh/force 0.812
           Step           Time
      223855000   447710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13620e+03    1.94960e+04    1.29975e+04    1.16407e+03   -2.90600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83429e+03    9.31684e+04    4.04058e+05   -2.34366e+04   -2.98219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64452e+04   -2.44823e+06    4.77886e+05   -1.97035e+06    2.37337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09822e+02   -2.08180e+02    8.04224e+01    5.59190e-06


DD  step 223859999 load imb.: force 20.3%  pme mesh/force 0.845
           Step           Time
      223860000   447720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96742e+03    1.93724e+04    1.31527e+04    1.20235e+03   -2.93593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70778e+03    9.28613e+04    4.00609e+05   -2.33648e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65401e+04   -2.44778e+06    4.80069e+05   -1.96771e+06    2.37342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11237e+02   -2.06907e+02    1.29643e+00    5.45844e-06


DD  step 223864999 load imb.: force 19.0%  pme mesh/force 0.762
           Step           Time
      223865000   447730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14964e+03    1.91394e+04    1.29567e+04    1.18392e+03   -3.06667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83263e+03    9.40796e+04    4.00515e+05   -2.33501e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64239e+04   -2.44747e+06    4.80724e+05   -1.96675e+06    2.37349e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11662e+02   -2.06649e+02   -3.39170e+01    5.72784e-06


DD  step 223869999 load imb.: force 19.2%  pme mesh/force 0.798
           Step           Time
      223870000   447740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12236e+03    1.95986e+04    1.31615e+04    1.17457e+03   -3.04885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73249e+03    9.29964e+04    4.00371e+05   -2.33528e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65111e+04   -2.44619e+06    4.79810e+05   -1.96638e+06    2.37354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.06696e+02   -2.64468e+01    5.45874e-06


DD  step 223874999 load imb.: force 20.3%  pme mesh/force 0.785
           Step           Time
      223875000   447750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11478e+03    1.95135e+04    1.32948e+04    1.30309e+03   -3.00618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77352e+03    9.27681e+04    3.98947e+05   -2.34067e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65761e+04   -2.44605e+06    4.81689e+05   -1.96436e+06    2.37360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12288e+02   -2.07650e+02   -2.75547e+01    5.46463e-06


DD  step 223879999 load imb.: force 22.2%  pme mesh/force 0.811
           Step           Time
      223880000   447760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92769e+03    1.94910e+04    1.30667e+04    1.21307e+03   -3.02142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89713e+03    9.29582e+04    4.03142e+05   -2.34164e+04   -2.98049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63559e+04   -2.44787e+06    4.78535e+05   -1.96934e+06    2.37365e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10243e+02   -2.07821e+02    9.54025e+01    5.71342e-06


DD  step 223884999 load imb.: force 20.8%  pme mesh/force 0.767
           Step           Time
      223885000   447770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73744e+03    1.97746e+04    1.31129e+04    1.21885e+03   -2.97614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80435e+03    9.32186e+04    4.02720e+05   -2.33651e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66226e+04   -2.44603e+06    4.81544e+05   -1.96449e+06    2.37371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12194e+02   -2.06913e+02    5.78288e+01    5.56637e-06


DD  step 223889999 load imb.: force 17.7%  pme mesh/force 0.773
           Step           Time
      223890000   447780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94546e+03    1.91951e+04    1.31057e+04    1.19853e+03   -3.07230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82382e+03    9.34441e+04    3.98066e+05   -2.33785e+04   -2.97575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66380e+04   -2.44779e+06    4.80319e+05   -1.96747e+06    2.37377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.07150e+02   -6.14535e+01    5.61245e-06


DD  step 223894999 load imb.: force 17.0%  pme mesh/force 0.750
           Step           Time
      223895000   447790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90308e+03    1.98020e+04    1.29774e+04    1.20181e+03   -3.03542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82824e+03    9.33605e+04    4.02993e+05   -2.33793e+04   -2.98022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66484e+04   -2.44692e+06    4.80833e+05   -1.96608e+06    2.37383e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11732e+02   -2.07164e+02    4.30150e+01    5.71451e-06


DD  step 223899999 load imb.: force 18.1%  pme mesh/force 0.790
           Step           Time
      223900000   447800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99137e+03    1.96366e+04    1.29461e+04    1.10647e+03   -3.01077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76968e+03    9.27945e+04    3.96988e+05   -2.33075e+04   -2.97220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65921e+04   -2.44570e+06    4.78910e+05   -1.96679e+06    2.37388e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10486e+02   -2.05895e+02   -1.62307e+02    5.64147e-06


DD  step 223904999 load imb.: force 19.3%  pme mesh/force 0.791
           Step           Time
      223905000   447810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02064e+03    1.91634e+04    1.31318e+04    1.18688e+03   -2.94771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76492e+03    9.31529e+04    4.00264e+05   -2.33943e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63524e+04   -2.44973e+06    4.76663e+05   -1.97307e+06    2.37395e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09029e+02   -2.07430e+02   -4.32392e+01    5.63355e-06


DD  step 223909999 load imb.: force 19.9%  pme mesh/force 0.800
           Step           Time
      223910000   447820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19870e+03    1.92690e+04    1.30960e+04    1.20485e+03   -3.09896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77045e+03    9.25360e+04    4.01702e+05   -2.33222e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66400e+04   -2.44650e+06    4.78677e+05   -1.96782e+06    2.37400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10335e+02   -2.06154e+02    2.27717e+01    5.60340e-06


DD  step 223914999 load imb.: force 19.9%  pme mesh/force 0.805
           Step           Time
      223915000   447830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08765e+03    1.99783e+04    1.31851e+04    1.10426e+03   -2.95540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86186e+03    9.32377e+04    4.02904e+05   -2.33989e+04   -2.97846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65713e+04   -2.44488e+06    4.79983e+05   -1.96490e+06    2.37406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.07512e+02    8.31495e+01    5.60268e-06


DD  step 223919999 load imb.: force 19.3%  pme mesh/force 0.783
           Step           Time
      223920000   447840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00528e+03    1.93208e+04    1.27375e+04    1.14155e+03   -2.95055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73709e+03    9.28344e+04    3.98228e+05   -2.33550e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66676e+04   -2.44713e+06    4.79961e+05   -1.96717e+06    2.37411e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11167e+02   -2.06734e+02   -5.97550e+01    5.46142e-06


DD  step 223924999 load imb.: force 17.6%  pme mesh/force 0.757
           Step           Time
      223925000   447850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85811e+03    1.91924e+04    1.32013e+04    1.19634e+03   -2.99666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85228e+03    9.32718e+04    4.00032e+05   -2.33782e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64194e+04   -2.44852e+06    4.80342e+05   -1.96818e+06    2.37417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.07146e+02   -2.79310e+01    5.50490e-06


DD  step 223929999 load imb.: force 19.5%  pme mesh/force 0.742
           Step           Time
      223930000   447860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08838e+03    1.94893e+04    1.30138e+04    1.21506e+03   -2.97766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77959e+03    9.30188e+04    4.00840e+05   -2.33484e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66268e+04   -2.44678e+06    4.81544e+05   -1.96524e+06    2.37423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12194e+02   -2.06617e+02    7.00775e+00    5.56620e-06


DD  step 223934999 load imb.: force 17.6%  pme mesh/force 0.743
           Step           Time
      223935000   447870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10104e+03    1.95180e+04    1.29900e+04    1.35067e+03   -3.03853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81166e+03    9.30581e+04    4.02792e+05   -2.34184e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65292e+04   -2.44566e+06    4.79511e+05   -1.96615e+06    2.37429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.07858e+02    7.63474e+01    5.46527e-06


DD  step 223939999 load imb.: force 19.7%  pme mesh/force 0.771
           Step           Time
      223940000   447880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24949e+03    1.96145e+04    1.30627e+04    1.20569e+03   -3.00913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83597e+03    9.28956e+04    4.03424e+05   -2.33447e+04   -2.98043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65207e+04   -2.44698e+06    4.79867e+05   -1.96711e+06    2.37435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11106e+02   -2.06552e+02    7.04956e+01    5.41978e-06


DD  step 223944999 load imb.: force 20.6%  pme mesh/force 0.752
           Step           Time
      223945000   447890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84199e+03    1.92615e+04    1.31113e+04    1.27619e+03   -3.05273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90899e+03    9.30267e+04    3.99437e+05   -2.33400e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65522e+04   -2.44741e+06    4.79009e+05   -1.96840e+06    2.37441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10550e+02   -2.06469e+02   -3.04027e+01    5.62758e-06


DD  step 223949999 load imb.: force 20.1%  pme mesh/force 0.770
           Step           Time
      223950000   447900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06565e+03    1.89500e+04    1.32380e+04    1.25540e+03   -3.02237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92738e+03    9.27009e+04    4.00919e+05   -2.34308e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64569e+04   -2.44757e+06    4.79986e+05   -1.96758e+06    2.37446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11183e+02   -2.08078e+02    3.98836e+01    5.66825e-06


DD  step 223954999 load imb.: force 20.1%  pme mesh/force 0.776
           Step           Time
      223955000   447910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81142e+03    1.91954e+04    1.31172e+04    1.14331e+03   -2.89304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93839e+03    9.33802e+04    3.96504e+05   -2.33728e+04   -2.97274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64553e+04   -2.44646e+06    4.81057e+05   -1.96540e+06    2.37452e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11878e+02   -2.07049e+02   -1.07284e+02    5.46480e-06


DD  step 223959999 load imb.: force 19.1%  pme mesh/force 0.763
           Step           Time
      223960000   447920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95077e+03    1.97198e+04    1.30592e+04    1.17321e+03   -2.97591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94438e+03    9.32749e+04    4.01224e+05   -2.33783e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67722e+04   -2.44535e+06    4.81038e+05   -1.96432e+06    2.37458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11865e+02   -2.07147e+02    3.55136e+01    5.46343e-06


DD  step 223964999 load imb.: force 18.4%  pme mesh/force 0.767
           Step           Time
      223965000   447930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91506e+03    1.93062e+04    1.29982e+04    1.18095e+03   -3.11662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90204e+03    9.28081e+04    4.01682e+05   -2.33567e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65201e+04   -2.44755e+06    4.80721e+05   -1.96683e+06    2.37464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11660e+02   -2.06764e+02    1.02129e+01    5.65180e-06


DD  step 223969999 load imb.: force 19.2%  pme mesh/force 0.782
           Step           Time
      223970000   447940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.52737e+03    1.92140e+04    1.31538e+04    1.19132e+03   -2.94112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64440e+03    9.31284e+04    4.00277e+05   -2.33903e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65499e+04   -2.44941e+06    4.81386e+05   -1.96803e+06    2.37469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12091e+02   -2.07359e+02   -5.72017e+01    5.47430e-06


DD  step 223974999 load imb.: force 21.9%  pme mesh/force 0.801
           Step           Time
      223975000   447950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84835e+03    1.90631e+04    1.30502e+04    1.18757e+03   -2.86351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75963e+03    9.32985e+04    4.00590e+05   -2.33533e+04   -2.98121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64494e+04   -2.45118e+06    4.77318e+05   -1.97386e+06    2.37475e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09454e+02   -2.06704e+02   -6.00182e+01    5.42473e-06


DD  step 223979999 load imb.: force 19.2%  pme mesh/force 0.792
           Step           Time
      223980000   447960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96711e+03    1.94733e+04    1.31423e+04    1.15143e+03   -2.94699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81052e+03    9.31391e+04    4.01927e+05   -2.34190e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66331e+04   -2.44832e+06    4.80627e+05   -1.96769e+06    2.37481e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.07868e+02    8.24686e+01    5.50572e-06


DD  step 223984999 load imb.: force 17.7%  pme mesh/force 0.799
           Step           Time
      223985000   447970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15797e+03    1.96086e+04    1.31497e+04    1.23670e+03   -3.03312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85879e+03    9.26757e+04    4.03138e+05   -2.34030e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65527e+04   -2.44696e+06    4.80549e+05   -1.96641e+06    2.37487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11549e+02   -2.07585e+02    1.01207e+02    5.44977e-06


DD  step 223989999 load imb.: force 18.2%  pme mesh/force 0.788
           Step           Time
      223990000   447980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03363e+03    1.92764e+04    1.31797e+04    1.20331e+03   -2.95140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84553e+03    9.30653e+04    4.00718e+05   -2.33785e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64668e+04   -2.44616e+06    4.79306e+05   -1.96685e+06    2.37492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.07150e+02    2.56307e+01    5.37561e-06


DD  step 223994999 load imb.: force 19.5%  pme mesh/force 0.794
           Step           Time
      223995000   447990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94245e+03    1.92579e+04    1.31448e+04    1.15720e+03   -2.99153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96449e+03    9.29619e+04    3.98835e+05   -2.34017e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64086e+04   -2.44750e+06    4.81755e+05   -1.96575e+06    2.37498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12331e+02   -2.07560e+02   -2.12165e+01    5.46066e-06


DD  step 223999999 load imb.: force 18.4%  pme mesh/force 0.784
           Step           Time
      224000000   448000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38791e+03    1.90338e+04    1.31018e+04    1.13152e+03   -3.10606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72255e+03    9.29538e+04    3.96966e+05   -2.33852e+04   -2.97348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65630e+04   -2.44711e+06    4.81525e+05   -1.96558e+06    2.37503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12181e+02   -2.07269e+02   -1.09733e+02    5.59769e-06


DD  step 224004999 load imb.: force 17.2%  pme mesh/force 0.783
           Step           Time
      224005000   448010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95713e+03    1.93207e+04    1.31958e+04    1.14460e+03   -2.94579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81498e+03    9.29757e+04    3.99610e+05   -2.33520e+04   -2.97676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64690e+04   -2.44757e+06    4.79984e+05   -1.96758e+06    2.37509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.06681e+02   -3.17534e+01    5.49380e-06


DD  step 224009999 load imb.: force 17.8%  pme mesh/force 0.744
           Step           Time
      224010000   448020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17811e+03    1.94619e+04    1.31520e+04    1.18309e+03   -3.02724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76621e+03    9.29025e+04    4.02389e+05   -2.33675e+04   -2.97983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63630e+04   -2.44782e+06    4.79764e+05   -1.96806e+06    2.37515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11040e+02   -2.06956e+02   -2.75736e+01    5.50082e-06


DD  step 224014999 load imb.: force 19.5%  pme mesh/force 0.791
           Step           Time
      224015000   448030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02916e+03    1.95088e+04    1.31372e+04    1.12329e+03   -3.07351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87234e+03    9.30285e+04    4.01681e+05   -2.34239e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67369e+04   -2.44594e+06    4.78946e+05   -1.96699e+06    2.37521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10510e+02   -2.07955e+02    9.96534e+01    5.48740e-06


DD  step 224019999 load imb.: force 20.2%  pme mesh/force 0.799
           Step           Time
      224020000   448040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.46456e+03    1.88983e+04    1.31077e+04    1.11679e+03   -3.09242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75039e+03    9.30641e+04    4.00354e+05   -2.33810e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66444e+04   -2.44783e+06    4.79849e+05   -1.96798e+06    2.37527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11095e+02   -2.07194e+02   -4.36247e+01    5.31311e-06


DD  step 224024999 load imb.: force 17.9%  pme mesh/force 0.775
           Step           Time
      224025000   448050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16804e+03    1.96408e+04    1.31324e+04    1.27943e+03   -2.95939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89308e+03    9.28128e+04    4.02778e+05   -2.33595e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64318e+04   -2.44557e+06    4.82136e+05   -1.96344e+06    2.37533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12577e+02   -2.06813e+02    8.86530e+01    5.45722e-06


DD  step 224029999 load imb.: force 16.6%  pme mesh/force 0.729
           Step           Time
      224030000   448060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10309e+03    1.98620e+04    1.32679e+04    1.16727e+03   -3.06886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97744e+03    9.27476e+04    4.02579e+05   -2.34145e+04   -2.97971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64921e+04   -2.44700e+06    4.81137e+05   -1.96586e+06    2.37539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11930e+02   -2.07787e+02    1.03752e+02    5.52001e-06


DD  step 224034999 load imb.: force 16.7%  pme mesh/force 0.759
           Step           Time
      224035000   448070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86844e+03    1.93197e+04    1.29940e+04    1.18799e+03   -3.12717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87828e+03    9.33256e+04    3.98415e+05   -2.34456e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64803e+04   -2.45099e+06    4.81666e+05   -1.96932e+06    2.37544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12273e+02   -2.08339e+02   -4.20373e+01    5.61225e-06


DD  step 224039999 load imb.: force 18.4%  pme mesh/force 0.759
           Step           Time
      224040000   448080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89135e+03    1.92424e+04    1.29548e+04    1.18894e+03   -2.98109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91304e+03    9.32039e+04    4.01360e+05   -2.33815e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66616e+04   -2.44767e+06    4.79887e+05   -1.96778e+06    2.37549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11120e+02   -2.07203e+02    5.76684e+01    5.49689e-06

Writing checkpoint, step 224041800 at Tue Nov  7 22:31:28 2023



DD  step 224044999 load imb.: force 19.7%  pme mesh/force 0.780
           Step           Time
      224045000   448090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11532e+03    1.95301e+04    1.29575e+04    1.12698e+03   -3.09319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84830e+03    9.34814e+04    3.97782e+05   -2.33973e+04   -2.97088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63339e+04   -2.44319e+06    4.78734e+05   -1.96446e+06    2.37555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10371e+02   -2.07483e+02   -5.52208e+01    5.50526e-06


DD  step 224049999 load imb.: force 17.1%  pme mesh/force 0.762
           Step           Time
      224050000   448100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03465e+03    1.94638e+04    1.30053e+04    1.09458e+03   -3.03788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81734e+03    9.33487e+04    3.99022e+05   -2.33913e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66998e+04   -2.44716e+06    4.79415e+05   -1.96774e+06    2.37561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10814e+02   -2.07377e+02   -4.63735e+01    5.28874e-06


DD  step 224054999 load imb.: force 17.5%  pme mesh/force 0.765
           Step           Time
      224055000   448110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98882e+03    1.93264e+04    1.29291e+04    1.17166e+03   -3.04127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68992e+03    9.34223e+04    3.99830e+05   -2.33620e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68800e+04   -2.44844e+06    4.78400e+05   -1.97004e+06    2.37567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10156e+02   -2.06858e+02   -1.03161e+02    5.48045e-06


DD  step 224059999 load imb.: force 17.2%  pme mesh/force 0.750
           Step           Time
      224060000   448120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01373e+03    1.97546e+04    1.29964e+04    1.22563e+03   -2.98495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83067e+03    9.29430e+04    4.01565e+05   -2.33594e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65028e+04   -2.44554e+06    4.80148e+05   -1.96539e+06    2.37573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11289e+02   -2.06811e+02    7.64292e+01    5.54636e-06


DD  step 224064999 load imb.: force 19.1%  pme mesh/force 0.789
           Step           Time
      224065000   448130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98062e+03    1.96875e+04    1.29808e+04    1.22741e+03   -3.00915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89042e+03    9.29201e+04    4.00623e+05   -2.33461e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63446e+04   -2.44616e+06    4.81276e+05   -1.96488e+06    2.37578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12020e+02   -2.06577e+02    3.61228e+01    5.46905e-06


DD  step 224069999 load imb.: force 18.4%  pme mesh/force 0.762
           Step           Time
      224070000   448140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93378e+03    1.87776e+04    1.31886e+04    1.15665e+03   -3.08730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89492e+03    9.32134e+04    3.97843e+05   -2.33803e+04   -2.97382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63160e+04   -2.44696e+06    4.79632e+05   -1.96733e+06    2.37584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10954e+02   -2.07182e+02   -5.73134e+01    5.49401e-06


DD  step 224074999 load imb.: force 18.3%  pme mesh/force 0.776
           Step           Time
      224075000   448150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89057e+03    1.94776e+04    1.31549e+04    1.19560e+03   -3.11162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77867e+03    9.29347e+04    4.02079e+05   -2.33948e+04   -2.98098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64401e+04   -2.44953e+06    4.77537e+05   -1.97199e+06    2.37590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09596e+02   -2.07439e+02    2.56400e+01    5.42594e-06


DD  step 224079999 load imb.: force 20.5%  pme mesh/force 0.807
           Step           Time
      224080000   448160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83653e+03    1.91628e+04    1.31162e+04    1.13452e+03   -2.95429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79122e+03    9.35014e+04    4.00650e+05   -2.33794e+04   -2.98075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64021e+04   -2.45049e+06    4.79790e+05   -1.97070e+06    2.37596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.07166e+02   -6.18257e+01    5.61892e-06


DD  step 224084999 load imb.: force 17.9%  pme mesh/force 0.752
           Step           Time
      224085000   448170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84033e+03    1.95032e+04    1.31447e+04    1.21381e+03   -3.08108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91528e+03    9.30788e+04    3.99095e+05   -2.34060e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67473e+04   -2.44579e+06    4.78764e+05   -1.96702e+06    2.37602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.07637e+02    2.32739e+01    5.42472e-06


DD  step 224089999 load imb.: force 17.6%  pme mesh/force 0.761
           Step           Time
      224090000   448180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98072e+03    1.93186e+04    1.30112e+04    1.17403e+03   -3.04410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85047e+03    9.29343e+04    3.98483e+05   -2.33719e+04   -2.97630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66033e+04   -2.44836e+06    4.78801e+05   -1.96956e+06    2.37608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10415e+02   -2.07034e+02   -9.38946e+01    5.48628e-06


DD  step 224094999 load imb.: force 19.1%  pme mesh/force 0.749
           Step           Time
      224095000   448190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90043e+03    1.91113e+04    1.30858e+04    1.20130e+03   -2.97817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82381e+03    9.36323e+04    3.98632e+05   -2.33891e+04   -2.97539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66042e+04   -2.44677e+06    4.79809e+05   -1.96696e+06    2.37613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.07338e+02   -4.62563e+01    5.42806e-06


DD  step 224099999 load imb.: force 17.1%  pme mesh/force 0.726
           Step           Time
      224100000   448200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12902e+03    1.96131e+04    1.30538e+04    1.17227e+03   -2.85990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78521e+03    9.30979e+04    3.98772e+05   -2.33738e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64153e+04   -2.44538e+06    4.82076e+05   -1.96330e+06    2.37619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12539e+02   -2.07067e+02   -4.48292e+01    5.42113e-06


DD  step 224104999 load imb.: force 16.7%  pme mesh/force 0.758
           Step           Time
      224105000   448210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76947e+03    1.93755e+04    1.30476e+04    1.11312e+03   -2.93130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69947e+03    9.34600e+04    4.01559e+05   -2.33673e+04   -2.97917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65248e+04   -2.44792e+06    4.80977e+05   -1.96694e+06    2.37625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11826e+02   -2.06952e+02    1.89577e+00    5.35462e-06


DD  step 224109999 load imb.: force 17.3%  pme mesh/force 0.754
           Step           Time
      224110000   448220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86448e+03    1.94914e+04    1.29209e+04    1.19841e+03   -3.02949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90657e+03    9.26169e+04    4.00037e+05   -2.34241e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66887e+04   -2.44886e+06    4.78655e+05   -1.97020e+06    2.37631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10320e+02   -2.07958e+02   -1.98276e+01    5.30083e-06


DD  step 224114999 load imb.: force 16.5%  pme mesh/force 0.726
           Step           Time
      224115000   448230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86379e+03    1.90014e+04    1.30862e+04    1.16348e+03   -3.02831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89355e+03    9.31765e+04    4.01406e+05   -2.33831e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65394e+04   -2.44713e+06    4.79606e+05   -1.96753e+06    2.37636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10937e+02   -2.07231e+02    4.63273e+01    5.44839e-06


DD  step 224119999 load imb.: force 17.0%  pme mesh/force 0.720
           Step           Time
      224120000   448240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17680e+03    1.93817e+04    1.30577e+04    1.11861e+03   -3.05501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88582e+03    9.30698e+04    3.99039e+05   -2.34035e+04   -2.97462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64755e+04   -2.44587e+06    4.80106e+05   -1.96577e+06    2.37642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11261e+02   -2.07593e+02   -1.02244e+02    5.18905e-06


DD  step 224124999 load imb.: force 17.2%  pme mesh/force 0.740
           Step           Time
      224125000   448250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92279e+03    1.94025e+04    1.28918e+04    1.14242e+03   -3.08027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89061e+03    9.23542e+04    4.00205e+05   -2.33496e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64581e+04   -2.44941e+06    4.80195e+05   -1.96922e+06    2.37648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11319e+02   -2.06638e+02   -1.20256e+01    5.36313e-06


DD  step 224129999 load imb.: force 16.4%  pme mesh/force 0.746
           Step           Time
      224130000   448260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75127e+03    1.91159e+04    1.29391e+04    1.15125e+03   -2.93815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86285e+03    9.31512e+04    4.01057e+05   -2.33828e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63581e+04   -2.44932e+06    4.78903e+05   -1.97041e+06    2.37653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10481e+02   -2.07227e+02    5.08609e+00    5.27267e-06


DD  step 224134999 load imb.: force 18.8%  pme mesh/force 0.763
           Step           Time
      224135000   448270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98558e+03    1.96984e+04    1.31083e+04    1.19333e+03   -2.96131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90809e+03    9.31299e+04    4.00322e+05   -2.33519e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65485e+04   -2.44485e+06    4.78753e+05   -1.96610e+06    2.37660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10384e+02   -2.06679e+02    3.77426e+00    5.27999e-06


DD  step 224139999 load imb.: force 17.8%  pme mesh/force 0.748
           Step           Time
      224140000   448280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94859e+03    1.95949e+04    1.29316e+04    1.21732e+03   -3.02428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89185e+03    9.26363e+04    4.01393e+05   -2.34224e+04   -2.97922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64178e+04   -2.44863e+06    4.80051e+05   -1.96858e+06    2.37665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11225e+02   -2.07928e+02    5.58186e+01    5.23747e-06


DD  step 224144999 load imb.: force 15.5%  pme mesh/force 0.734
           Step           Time
      224145000   448290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08843e+03    1.93833e+04    1.31245e+04    1.11020e+03   -2.98766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80347e+03    9.30965e+04    4.01050e+05   -2.34178e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65123e+04   -2.44646e+06    4.79716e+05   -1.96674e+06    2.37671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.07846e+02    1.30324e+01    5.31549e-06


DD  step 224149999 load imb.: force 21.1%  pme mesh/force 0.786
           Step           Time
      224150000   448300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69548e+03    1.93812e+04    1.28405e+04    1.23573e+03   -2.97340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93369e+03    9.31172e+04    4.01998e+05   -2.33750e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64696e+04   -2.44624e+06    4.81011e+05   -1.96523e+06    2.37676e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11848e+02   -2.07088e+02    9.13540e+01    5.52040e-06


DD  step 224154999 load imb.: force 19.9%  pme mesh/force 0.758
           Step           Time
      224155000   448310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10427e+03    1.91626e+04    1.31869e+04    1.10145e+03   -3.09002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69206e+03    9.34501e+04    3.97651e+05   -2.33430e+04   -2.97248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65097e+04   -2.44506e+06    4.77681e+05   -1.96738e+06    2.37683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09689e+02   -2.06522e+02   -8.70113e+01    5.39846e-06


DD  step 224159999 load imb.: force 18.8%  pme mesh/force 0.763
           Step           Time
      224160000   448320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97465e+03    1.94519e+04    1.30198e+04    1.13653e+03   -3.00995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76192e+03    9.36716e+04    3.99454e+05   -2.34309e+04   -2.97544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65191e+04   -2.44589e+06    4.78552e+05   -1.96734e+06    2.37689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.08080e+02   -6.61255e-01    5.42780e-06


DD  step 224164999 load imb.: force 17.8%  pme mesh/force 0.756
           Step           Time
      224165000   448330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12694e+03    1.92951e+04    1.29535e+04    1.17704e+03   -3.00771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80771e+03    9.31150e+04    4.00875e+05   -2.34168e+04   -2.97948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62995e+04   -2.44926e+06    4.78211e+05   -1.97105e+06    2.37695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10033e+02   -2.07830e+02    2.16615e+01    5.28949e-06


DD  step 224169999 load imb.: force 15.9%  pme mesh/force 0.726
           Step           Time
      224170000   448340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90846e+03    1.91392e+04    1.29541e+04    1.16711e+03   -2.92551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84158e+03    9.36531e+04    3.99872e+05   -2.33942e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65909e+04   -2.44804e+06    4.78243e+05   -1.96980e+06    2.37700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10053e+02   -2.07428e+02   -2.16055e+01    5.26059e-06


DD  step 224174999 load imb.: force 17.6%  pme mesh/force 0.770
           Step           Time
      224175000   448350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87271e+03    1.93271e+04    1.30339e+04    1.20574e+03   -3.07162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78452e+03    9.30620e+04    4.02710e+05   -2.33640e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65587e+04   -2.44784e+06    4.78511e+05   -1.96933e+06    2.37706e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10227e+02   -2.06895e+02    5.59647e+01    5.38150e-06


DD  step 224179999 load imb.: force 16.3%  pme mesh/force 0.764
           Step           Time
      224180000   448360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09974e+03    1.93700e+04    1.31336e+04    1.20650e+03   -3.06532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82630e+03    9.32153e+04    3.97993e+05   -2.33168e+04   -2.97461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66779e+04   -2.44647e+06    4.79038e+05   -1.96743e+06    2.37712e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10569e+02   -2.06060e+02   -1.12444e+02    5.39722e-06


DD  step 224184999 load imb.: force 17.6%  pme mesh/force 0.770
           Step           Time
      224185000   448370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15073e+03    1.96768e+04    1.32738e+04    1.21748e+03   -3.08472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75277e+03    9.33759e+04    3.98080e+05   -2.33698e+04   -2.97482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66490e+04   -2.44610e+06    4.78079e+05   -1.96802e+06    2.37718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09947e+02   -2.06997e+02   -6.75934e+01    5.41230e-06


DD  step 224189999 load imb.: force 19.4%  pme mesh/force 0.758
           Step           Time
      224190000   448380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10072e+03    1.91022e+04    1.31320e+04    1.24429e+03   -2.96180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79224e+03    9.30383e+04    4.01169e+05   -2.33786e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63513e+04   -2.44670e+06    4.78580e+05   -1.96812e+06    2.37723e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10272e+02   -2.07152e+02    3.20570e+01    5.37321e-06


DD  step 224194999 load imb.: force 17.9%  pme mesh/force 0.739
           Step           Time
      224195000   448390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93078e+03    1.94910e+04    1.28556e+04    1.24287e+03   -2.98068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80727e+03    9.33008e+04    3.97862e+05   -2.33850e+04   -2.97244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65854e+04   -2.44473e+06    4.80466e+05   -1.96427e+06    2.37729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11494e+02   -2.07266e+02   -3.62430e+01    5.49069e-06


DD  step 224199999 load imb.: force 18.3%  pme mesh/force 0.773
           Step           Time
      224200000   448400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10881e+03    1.92079e+04    1.29663e+04    1.18805e+03   -3.02976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69989e+03    9.34092e+04    4.02449e+05   -2.33957e+04   -2.98003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62986e+04   -2.44813e+06    4.79411e+05   -1.96872e+06    2.37734e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10811e+02   -2.07455e+02    5.44480e+01    5.28602e-06


DD  step 224204999 load imb.: force 18.1%  pme mesh/force 0.752
           Step           Time
      224205000   448410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08178e+03    1.94344e+04    1.29955e+04    1.13829e+03   -2.96271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75075e+03    9.30500e+04    4.01361e+05   -2.34040e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65841e+04   -2.44665e+06    4.78304e+05   -1.96835e+06    2.37740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10093e+02   -2.07602e+02    1.05796e+01    5.32744e-06


DD  step 224209999 load imb.: force 18.5%  pme mesh/force 0.793
           Step           Time
      224210000   448420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84364e+03    1.96030e+04    1.29393e+04    1.22544e+03   -3.02401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81039e+03    9.28069e+04    4.03579e+05   -2.33628e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65666e+04   -2.44657e+06    4.80253e+05   -1.96631e+06    2.37746e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.06873e+02    1.11210e+02    5.32272e-06


DD  step 224214999 load imb.: force 18.5%  pme mesh/force 0.768
           Step           Time
      224215000   448430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05956e+03    1.91162e+04    1.31527e+04    1.21843e+03   -3.11015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81844e+03    9.32013e+04    4.02497e+05   -2.34097e+04   -2.98109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65684e+04   -2.44898e+06    4.79910e+05   -1.96907e+06    2.37752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11134e+02   -2.07704e+02    9.03915e+01    5.40738e-06


DD  step 224219999 load imb.: force 18.4%  pme mesh/force 0.789
           Step           Time
      224220000   448440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99839e+03    1.91994e+04    1.31718e+04    1.20445e+03   -2.99660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81914e+03    9.33503e+04    4.01193e+05   -2.34056e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66460e+04   -2.44530e+06    4.80712e+05   -1.96458e+06    2.37757e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11654e+02   -2.07631e+02    6.70623e+01    5.39337e-06


DD  step 224224999 load imb.: force 19.6%  pme mesh/force 0.770
           Step           Time
      224225000   448450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19394e+03    1.95297e+04    1.30096e+04    1.22418e+03   -2.97031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74013e+03    9.24621e+04    4.00220e+05   -2.33594e+04   -2.97830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65577e+04   -2.44870e+06    4.81388e+05   -1.96731e+06    2.37763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12093e+02   -2.06813e+02   -7.73884e+01    5.37408e-06


DD  step 224229999 load imb.: force 18.3%  pme mesh/force 0.778
           Step           Time
      224230000   448460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97970e+03    1.96393e+04    1.30758e+04    1.17528e+03   -3.02373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78650e+03    9.29853e+04    3.97977e+05   -2.33575e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65851e+04   -2.44637e+06    4.79942e+05   -1.96642e+06    2.37769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.06778e+02   -5.99030e+01    5.24686e-06


DD  step 224234999 load imb.: force 19.1%  pme mesh/force 0.775
           Step           Time
      224235000   448470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96777e+03    1.93712e+04    1.29776e+04    1.13219e+03   -3.07958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92131e+03    9.29966e+04    3.98842e+05   -2.34226e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65259e+04   -2.44706e+06    4.79504e+05   -1.96756e+06    2.37775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10871e+02   -2.07932e+02   -3.64094e+01    5.36436e-06


DD  step 224239999 load imb.: force 16.3%  pme mesh/force 0.739
           Step           Time
      224240000   448480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94682e+03    1.94571e+04    1.29543e+04    1.20678e+03   -2.91943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97610e+03    9.34491e+04    4.02002e+05   -2.33403e+04   -2.97792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64118e+04   -2.44577e+06    4.80380e+05   -1.96540e+06    2.37780e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11439e+02   -2.06475e+02    6.47768e+01    5.46587e-06


DD  step 224244999 load imb.: force 18.1%  pme mesh/force 0.800
           Step           Time
      224245000   448490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03421e+03    1.94895e+04    1.31144e+04    1.13986e+03   -2.85683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80117e+03    9.30304e+04    4.00554e+05   -2.34011e+04   -2.97717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67371e+04   -2.44653e+06    4.81707e+05   -1.96482e+06    2.37787e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12299e+02   -2.07551e+02    5.28271e+01    5.32438e-06


DD  step 224249999 load imb.: force 18.5%  pme mesh/force 0.782
           Step           Time
      224250000   448500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96085e+03    1.92515e+04    1.30857e+04    1.12232e+03   -2.93884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80283e+03    9.37337e+04    3.99661e+05   -2.33607e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65300e+04   -2.44751e+06    4.79245e+05   -1.96827e+06    2.37792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.06835e+02   -3.98951e+01    5.22005e-06


DD  step 224254999 load imb.: force 17.0%  pme mesh/force 0.792
           Step           Time
      224255000   448510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23718e+03    1.94504e+04    1.29954e+04    1.21855e+03   -3.01769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63323e+03    9.30001e+04    4.00806e+05   -2.34344e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64736e+04   -2.44603e+06    4.79240e+05   -1.96679e+06    2.37798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10700e+02   -2.08142e+02   -1.95183e+01    5.30517e-06


DD  step 224259999 load imb.: force 18.4%  pme mesh/force 0.805
           Step           Time
      224260000   448520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96981e+03    1.95762e+04    1.31536e+04    1.21613e+03   -2.88688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74560e+03    9.28066e+04    4.02773e+05   -2.33881e+04   -2.97982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63243e+04   -2.44753e+06    4.79986e+05   -1.96754e+06    2.37803e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11184e+02   -2.07320e+02    2.77396e+01    5.40246e-06


DD  step 224264999 load imb.: force 18.0%  pme mesh/force 0.783
           Step           Time
      224265000   448530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19222e+03    1.97532e+04    1.29652e+04    1.12147e+03   -2.90379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.60679e+03    9.34674e+04    3.99956e+05   -2.33609e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64028e+04   -2.44594e+06    4.80121e+05   -1.96582e+06    2.37809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11271e+02   -2.06838e+02   -5.92331e+01    5.45768e-06


DD  step 224269999 load imb.: force 19.3%  pme mesh/force 0.813
           Step           Time
      224270000   448540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90941e+03    1.90400e+04    1.29831e+04    1.22751e+03   -2.94677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88122e+03    9.36635e+04    3.98607e+05   -2.33496e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64734e+04   -2.44801e+06    4.79528e+05   -1.96848e+06    2.37815e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.06639e+02   -5.48622e+01    5.49097e-06


DD  step 224274999 load imb.: force 17.8%  pme mesh/force 0.775
           Step           Time
      224275000   448550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05722e+03    1.92899e+04    1.30096e+04    1.19345e+03   -2.91396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88658e+03    9.32438e+04    4.00310e+05   -2.33758e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64438e+04   -2.44557e+06    4.80045e+05   -1.96553e+06    2.37821e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11222e+02   -2.07102e+02   -4.37647e+01    5.53029e-06


DD  step 224279999 load imb.: force 17.8%  pme mesh/force 0.769
           Step           Time
      224280000   448560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22355e+03    1.95404e+04    1.30197e+04    1.19694e+03   -2.97479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70072e+03    9.36347e+04    4.01350e+05   -2.33908e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65081e+04   -2.44329e+06    4.80278e+05   -1.96301e+06    2.37826e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11373e+02   -2.07368e+02    4.51195e+01    5.24543e-06


DD  step 224284999 load imb.: force 17.6%  pme mesh/force 0.790
           Step           Time
      224285000   448570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17375e+03    1.93007e+04    1.31173e+04    1.18770e+03   -3.02037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72186e+03    9.32486e+04    4.00302e+05   -2.34198e+04   -2.97761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62266e+04   -2.44777e+06    4.78864e+05   -1.96891e+06    2.37832e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10456e+02   -2.07882e+02   -1.07538e+01    5.46774e-06


DD  step 224289999 load imb.: force 20.6%  pme mesh/force 0.808
           Step           Time
      224290000   448580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06981e+03    1.94205e+04    1.30643e+04    1.23898e+03   -2.97803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74909e+03    9.31119e+04    4.00000e+05   -2.33541e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64570e+04   -2.44601e+06    4.80201e+05   -1.96581e+06    2.37838e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11323e+02   -2.06718e+02   -1.63102e+01    5.30978e-06


DD  step 224294999 load imb.: force 18.1%  pme mesh/force 0.792
           Step           Time
      224295000   448590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82849e+03    1.98114e+04    1.30535e+04    1.20814e+03   -3.01418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75746e+03    9.32065e+04    4.04638e+05   -2.34196e+04   -2.98245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64381e+04   -2.44794e+06    4.79366e+05   -1.96858e+06    2.37844e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10781e+02   -2.07878e+02    1.63920e+02    5.50680e-06


DD  step 224299999 load imb.: force 17.8%  pme mesh/force 0.775
           Step           Time
      224300000   448600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96851e+03    1.93496e+04    1.31143e+04    1.15746e+03   -3.03024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83521e+03    9.32767e+04    4.00191e+05   -2.33930e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63795e+04   -2.44705e+06    4.77685e+05   -1.96936e+06    2.37850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09691e+02   -2.07406e+02   -3.71408e+01    5.22875e-06


DD  step 224304999 load imb.: force 19.6%  pme mesh/force 0.800
           Step           Time
      224305000   448610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85506e+03    1.92458e+04    1.28953e+04    1.20985e+03   -2.86113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79682e+03    9.35748e+04    3.98776e+05   -2.33895e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65175e+04   -2.45046e+06    4.78353e+05   -1.97211e+06    2.37856e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10125e+02   -2.07345e+02   -9.16398e+01    5.22738e-06


DD  step 224309999 load imb.: force 19.6%  pme mesh/force 0.791
           Step           Time
      224310000   448620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06562e+03    1.93645e+04    1.30254e+04    1.16478e+03   -2.92762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78822e+03    9.29582e+04    4.01823e+05   -2.33937e+04   -2.97971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62813e+04   -2.44856e+06    4.80551e+05   -1.96801e+06    2.37861e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.07419e+02    2.17621e+01    5.34450e-06


DD  step 224314999 load imb.: force 19.4%  pme mesh/force 0.786
           Step           Time
      224315000   448630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76889e+03    1.93573e+04    1.29863e+04    1.20764e+03   -2.90486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91565e+03    9.34721e+04    3.98829e+05   -2.33521e+04   -2.97678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66921e+04   -2.44780e+06    4.77487e+05   -1.97032e+06    2.37867e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09563e+02   -2.06683e+02   -1.21111e+01    5.42044e-06


DD  step 224319999 load imb.: force 17.8%  pme mesh/force 0.780
           Step           Time
      224320000   448640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76573e+03    1.94540e+04    1.29710e+04    1.17266e+03   -2.92235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73904e+03    9.29208e+04    3.99239e+05   -2.34343e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63964e+04   -2.44772e+06    4.80522e+05   -1.96719e+06    2.37872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11531e+02   -2.08139e+02    4.44982e+01    5.36081e-06


DD  step 224324999 load imb.: force 19.4%  pme mesh/force 0.799
           Step           Time
      224325000   448650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03153e+03    1.95495e+04    1.30117e+04    1.20762e+03   -3.08742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69359e+03    9.28466e+04    4.01751e+05   -2.33912e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65535e+04   -2.44813e+06    4.80946e+05   -1.96718e+06    2.37878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.07375e+02    3.75150e+01    5.46732e-06


DD  step 224329999 load imb.: force 17.3%  pme mesh/force 0.767
           Step           Time
      224330000   448660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15613e+03    1.95821e+04    1.31249e+04    1.21143e+03   -2.97124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82928e+03    9.24214e+04    3.98555e+05   -2.33645e+04   -2.97102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64434e+04   -2.44303e+06    4.78572e+05   -1.96446e+06    2.37884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10266e+02   -2.06903e+02   -3.06576e+01    5.28823e-06


DD  step 224334999 load imb.: force 20.4%  pme mesh/force 0.791
           Step           Time
      224335000   448670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87647e+03    1.97717e+04    1.31512e+04    1.16166e+03   -2.96239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92702e+03    9.31977e+04    4.03226e+05   -2.33516e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64484e+04   -2.44726e+06    4.82202e+05   -1.96506e+06    2.37890e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12620e+02   -2.06674e+02    5.64083e+01    5.39123e-06


DD  step 224339999 load imb.: force 18.5%  pme mesh/force 0.717
           Step           Time
      224340000   448680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88056e+03    1.94619e+04    1.31983e+04    1.24778e+03   -2.91678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85841e+03    9.32228e+04    3.99032e+05   -2.34057e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65766e+04   -2.44757e+06    4.79728e+05   -1.96784e+06    2.37896e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.07632e+02   -2.94371e+01    5.30423e-06


DD  step 224344999 load imb.: force 19.9%  pme mesh/force 0.756
           Step           Time
      224345000   448690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96161e+03    1.97051e+04    1.33591e+04    1.17483e+03   -2.90935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78613e+03    9.28313e+04    4.00979e+05   -2.33928e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64045e+04   -2.44569e+06    4.78707e+05   -1.96699e+06    2.37901e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10354e+02   -2.07404e+02    2.47719e+01    5.41608e-06


DD  step 224349999 load imb.: force 19.0%  pme mesh/force 0.768
           Step           Time
      224350000   448700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91837e+03    1.94358e+04    1.30526e+04    1.17451e+03   -3.03465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93325e+03    9.28484e+04    4.00868e+05   -2.34275e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65667e+04   -2.44977e+06    4.80127e+05   -1.96964e+06    2.37907e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.08018e+02    6.86739e+01    5.50118e-06


DD  step 224354999 load imb.: force 18.9%  pme mesh/force 0.798
           Step           Time
      224355000   448710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81871e+03    1.96302e+04    1.31173e+04    1.13225e+03   -3.05810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83078e+03    9.31107e+04    3.99873e+05   -2.33707e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63909e+04   -2.44692e+06    4.79145e+05   -1.96778e+06    2.37913e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10638e+02   -2.07012e+02   -1.82268e+01    5.47840e-06


DD  step 224359999 load imb.: force 17.3%  pme mesh/force 0.754
           Step           Time
      224360000   448720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35648e+03    1.93206e+04    1.29314e+04    1.13027e+03   -3.11205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80653e+03    9.30038e+04    4.01170e+05   -2.33914e+04   -2.97915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64745e+04   -2.44846e+06    4.80641e+05   -1.96782e+06    2.37919e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11608e+02   -2.07379e+02   -2.54219e+01    5.39372e-06


DD  step 224364999 load imb.: force 17.4%  pme mesh/force 0.750
           Step           Time
      224365000   448730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11572e+03    1.93743e+04    1.31108e+04    1.18471e+03   -2.82988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72560e+03    9.28997e+04    4.00361e+05   -2.33904e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64876e+04   -2.44746e+06    4.80619e+05   -1.96684e+06    2.37925e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11594e+02   -2.07361e+02   -3.18528e+01    5.15941e-06

Writing checkpoint, step 224368350 at Tue Nov  7 22:46:28 2023



DD  step 224369999 load imb.: force 18.3%  pme mesh/force 0.759
           Step           Time
      224370000   448740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86847e+03    1.94053e+04    1.31399e+04    1.17406e+03   -3.00644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89054e+03    9.30555e+04    3.98155e+05   -2.33800e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64550e+04   -2.44748e+06    4.81010e+05   -1.96647e+06    2.37930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11847e+02   -2.07177e+02   -5.50020e+01    5.30628e-06


DD  step 224374999 load imb.: force 18.3%  pme mesh/force 0.778
           Step           Time
      224375000   448750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02262e+03    1.97969e+04    1.27149e+04    1.13047e+03   -2.91318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75099e+03    9.27449e+04    4.00613e+05   -2.33597e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65755e+04   -2.44533e+06    4.79055e+05   -1.96627e+06    2.37936e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10580e+02   -2.06817e+02    2.73084e+01    5.37758e-06


DD  step 224379999 load imb.: force 18.7%  pme mesh/force 0.751
           Step           Time
      224380000   448760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92415e+03    1.95481e+04    1.30388e+04    1.12936e+03   -3.11124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74648e+03    9.31274e+04    3.99917e+05   -2.33776e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65963e+04   -2.44829e+06    4.79795e+05   -1.96849e+06    2.37942e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.07134e+02   -5.69068e+01    5.26871e-06


DD  step 224384999 load imb.: force 18.2%  pme mesh/force 0.779
           Step           Time
      224385000   448770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88190e+03    1.94054e+04    1.28411e+04    1.21017e+03   -2.96724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82795e+03    9.31760e+04    4.00999e+05   -2.33785e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65584e+04   -2.44669e+06    4.79791e+05   -1.96690e+06    2.37948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.07149e+02    1.22781e+00    5.28228e-06


DD  step 224389999 load imb.: force 17.9%  pme mesh/force 0.758
           Step           Time
      224390000   448780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71598e+03    1.96979e+04    1.29927e+04    1.13896e+03   -2.93786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88344e+03    9.33283e+04    4.01664e+05   -2.33969e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63811e+04   -2.44823e+06    4.78457e+05   -1.96977e+06    2.37954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10192e+02   -2.07476e+02    5.73600e+01    5.51524e-06


DD  step 224394999 load imb.: force 19.9%  pme mesh/force 0.758
           Step           Time
      224395000   448790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10736e+03    1.95848e+04    1.29758e+04    1.20382e+03   -2.96790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98840e+03    9.29760e+04    4.00347e+05   -2.33507e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63122e+04   -2.44495e+06    4.80422e+05   -1.96453e+06    2.37959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.06658e+02    7.65879e+01    5.41548e-06


DD  step 224399999 load imb.: force 16.6%  pme mesh/force 0.708
           Step           Time
      224400000   448800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06705e+03    1.97481e+04    1.31722e+04    1.23119e+03   -3.02019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69602e+03    9.32626e+04    4.03148e+05   -2.33846e+04   -2.98075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66986e+04   -2.44713e+06    4.81857e+05   -1.96528e+06    2.37965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12397e+02   -2.07259e+02    3.55978e+01    5.43165e-06


DD  step 224404999 load imb.: force 18.3%  pme mesh/force 0.759
           Step           Time
      224405000   448810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75470e+03    1.94655e+04    1.30201e+04    1.15793e+03   -2.98192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81040e+03    9.31440e+04    4.03893e+05   -2.33967e+04   -2.98212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65429e+04   -2.44871e+06    4.79001e+05   -1.96970e+06    2.37971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10545e+02   -2.07473e+02    9.43498e+01    5.30779e-06


DD  step 224409999 load imb.: force 20.4%  pme mesh/force 0.815
           Step           Time
      224410000   448820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93789e+03    1.92045e+04    1.31393e+04    1.19559e+03   -2.99238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92961e+03    9.33430e+04    3.97530e+05   -2.33518e+04   -2.97278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65750e+04   -2.44527e+06    4.78297e+05   -1.96697e+06    2.37977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10088e+02   -2.06679e+02   -8.24038e+01    5.40857e-06


DD  step 224414999 load imb.: force 17.2%  pme mesh/force 0.712
           Step           Time
      224415000   448830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84962e+03    1.97301e+04    1.31027e+04    1.27400e+03   -2.99664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65079e+03    9.28564e+04    4.01409e+05   -2.33835e+04   -2.98104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62861e+04   -2.45026e+06    4.78591e+05   -1.97167e+06    2.37983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10279e+02   -2.07239e+02   -2.45024e+01    5.28381e-06


DD  step 224419999 load imb.: force 18.9%  pme mesh/force 0.742
           Step           Time
      224420000   448840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02030e+03    1.99661e+04    1.29660e+04    1.14224e+03   -3.06291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83686e+03    9.30090e+04    3.99282e+05   -2.33731e+04   -2.97475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64703e+04   -2.44549e+06    4.81617e+05   -1.96388e+06    2.37989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12241e+02   -2.07055e+02   -4.66911e+01    5.36012e-06


DD  step 224424999 load imb.: force 18.5%  pme mesh/force 0.776
           Step           Time
      224425000   448850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28420e+03    1.95087e+04    1.31482e+04    1.22827e+03   -3.01379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78728e+03    9.26063e+04    3.99846e+05   -2.33369e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65051e+04   -2.44625e+06    4.80659e+05   -1.96559e+06    2.37994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.06414e+02   -6.09398e+01    5.39685e-06


DD  step 224429999 load imb.: force 18.7%  pme mesh/force 0.802
           Step           Time
      224430000   448860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87177e+03    1.95402e+04    1.31542e+04    1.21423e+03   -3.01380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73985e+03    9.34475e+04    3.99175e+05   -2.33855e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63396e+04   -2.44821e+06    4.80787e+05   -1.96743e+06    2.38000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11703e+02   -2.07275e+02   -1.30183e+01    5.26897e-06


DD  step 224434999 load imb.: force 19.1%  pme mesh/force 0.798
           Step           Time
      224435000   448870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93918e+03    1.93565e+04    1.30375e+04    1.15045e+03   -2.97936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90486e+03    9.29080e+04    4.00246e+05   -2.33916e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64720e+04   -2.44637e+06    4.78063e+05   -1.96831e+06    2.38006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09937e+02   -2.07382e+02    1.58064e+01    5.16924e-06


DD  step 224439999 load imb.: force 19.3%  pme mesh/force 0.806
           Step           Time
      224440000   448880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04780e+03    1.95680e+04    1.30041e+04    1.04910e+03   -3.10461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74186e+03    9.26552e+04    3.98983e+05   -2.33626e+04   -2.97598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64352e+04   -2.44796e+06    4.79241e+05   -1.96872e+06    2.38012e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10701e+02   -2.06869e+02   -9.20525e+01    5.05123e-06


DD  step 224444999 load imb.: force 21.7%  pme mesh/force 0.832
           Step           Time
      224445000   448890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98720e+03    1.97387e+04    1.30419e+04    1.06038e+03   -3.02207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65747e+03    9.28651e+04    3.99995e+05   -2.34118e+04   -2.97751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64287e+04   -2.44817e+06    4.80327e+05   -1.96784e+06    2.38017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.07740e+02   -1.56738e+01    5.39707e-06


DD  step 224449999 load imb.: force 17.8%  pme mesh/force 0.790
           Step           Time
      224450000   448900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09217e+03    1.94415e+04    1.30162e+04    1.20678e+03   -3.03033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82902e+03    9.27691e+04    3.98423e+05   -2.33533e+04   -2.97376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65221e+04   -2.44584e+06    4.81305e+05   -1.96454e+06    2.38023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12038e+02   -2.06705e+02   -5.95424e+01    5.19466e-06


DD  step 224454999 load imb.: force 17.6%  pme mesh/force 0.756
           Step           Time
      224455000   448910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76595e+03    1.93862e+04    1.31403e+04    1.23983e+03   -2.99296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90568e+03    9.28473e+04    4.03228e+05   -2.34334e+04   -2.98207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65362e+04   -2.44944e+06    4.79129e+05   -1.97031e+06    2.38029e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10628e+02   -2.08123e+02    1.05148e+02    5.20275e-06


DD  step 224459999 load imb.: force 17.0%  pme mesh/force 0.755
           Step           Time
      224460000   448920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92517e+03    1.92264e+04    1.27939e+04    1.18286e+03   -3.08091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68300e+03    9.27658e+04    3.99798e+05   -2.33838e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65789e+04   -2.44810e+06    4.78280e+05   -1.96982e+06    2.38034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10078e+02   -2.07244e+02   -2.27638e+01    5.18711e-06


DD  step 224464999 load imb.: force 17.6%  pme mesh/force 0.787
           Step           Time
      224465000   448930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08200e+03    1.95275e+04    1.30437e+04    1.11156e+03   -2.96226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75434e+03    9.26605e+04    3.99244e+05   -2.33678e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66194e+04   -2.44597e+06    4.77510e+05   -1.96846e+06    2.38041e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09579e+02   -2.06960e+02   -6.02101e+01    5.24464e-06


DD  step 224469999 load imb.: force 17.5%  pme mesh/force 0.697
           Step           Time
      224470000   448940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03863e+03    1.91543e+04    1.30259e+04    1.16239e+03   -2.98309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79463e+03    9.33050e+04    4.01143e+05   -2.34182e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64050e+04   -2.44576e+06    4.78784e+05   -1.96698e+06    2.38046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10404e+02   -2.07853e+02    6.80823e+01    5.42268e-06


DD  step 224474999 load imb.: force 18.8%  pme mesh/force 0.729
           Step           Time
      224475000   448950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89025e+03    1.95139e+04    1.31787e+04    1.13781e+03   -3.11455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81246e+03    9.34690e+04    3.99816e+05   -2.33469e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64789e+04   -2.44728e+06    4.80238e+05   -1.96704e+06    2.38052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11347e+02   -2.06591e+02   -3.29010e+01    5.44803e-06


DD  step 224479999 load imb.: force 17.9%  pme mesh/force 0.768
           Step           Time
      224480000   448960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18961e+03    1.90978e+04    1.30942e+04    1.24798e+03   -3.08663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73950e+03    9.34035e+04    3.99395e+05   -2.33682e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65438e+04   -2.44727e+06    4.79314e+05   -1.96796e+06    2.38058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10748e+02   -2.06968e+02   -7.73061e+01    5.22329e-06


DD  step 224484999 load imb.: force 17.1%  pme mesh/force 0.700
           Step           Time
      224485000   448970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13580e+03    1.90184e+04    1.29641e+04    1.24667e+03   -2.95776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84824e+03    9.32886e+04    3.98185e+05   -2.33707e+04   -2.97227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66096e+04   -2.44430e+06    4.77761e+05   -1.96654e+06    2.38064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09741e+02   -2.07013e+02   -2.50495e+01    5.40800e-06


DD  step 224489999 load imb.: force 16.2%  pme mesh/force 0.729
           Step           Time
      224490000   448980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08754e+03    1.91986e+04    1.30232e+04    1.23875e+03   -3.03418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82736e+03    9.35050e+04    3.98959e+05   -2.33369e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64847e+04   -2.44516e+06    4.80001e+05   -1.96516e+06    2.38070e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.06415e+02   -8.78738e+01    5.33166e-06


DD  step 224494999 load imb.: force 17.4%  pme mesh/force 0.768
           Step           Time
      224495000   448990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92529e+03    1.95463e+04    1.32661e+04    1.14151e+03   -2.95193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75126e+03    9.29275e+04    4.02024e+05   -2.33841e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65590e+04   -2.44760e+06    4.79501e+05   -1.96810e+06    2.38075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.07250e+02    7.48399e+01    5.32498e-06


DD  step 224499999 load imb.: force 18.5%  pme mesh/force 0.814
           Step           Time
      224500000   449000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86730e+03    1.92076e+04    1.31874e+04    1.21456e+03   -3.02400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79219e+03    9.31617e+04    3.98557e+05   -2.33418e+04   -2.97242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63974e+04   -2.44440e+06    4.79108e+05   -1.96529e+06    2.38081e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.06501e+02   -8.67030e+01    5.52967e-06


DD  step 224504999 load imb.: force 17.7%  pme mesh/force 0.794
           Step           Time
      224505000   449010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87838e+03    1.95006e+04    1.28525e+04    1.15589e+03   -3.00449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73663e+03    9.32302e+04    3.98231e+05   -2.33909e+04   -2.97459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63412e+04   -2.44706e+06    4.78366e+05   -1.96869e+06    2.38087e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10133e+02   -2.07370e+02   -5.09228e+01    5.23390e-06


DD  step 224509999 load imb.: force 18.1%  pme mesh/force 0.777
           Step           Time
      224510000   449020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90108e+03    1.89333e+04    1.30457e+04    1.07571e+03   -3.02392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87867e+03    9.28434e+04    4.01826e+05   -2.33678e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61861e+04   -2.44840e+06    4.79410e+05   -1.96899e+06    2.38092e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.06961e+02    9.26213e+00    5.32042e-06


DD  step 224514999 load imb.: force 17.9%  pme mesh/force 0.761
           Step           Time
      224515000   449030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20649e+03    1.92407e+04    1.30960e+04    1.19190e+03   -3.07742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83262e+03    9.29580e+04    3.99796e+05   -2.33737e+04   -2.97568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66522e+04   -2.44615e+06    4.79251e+05   -1.96690e+06    2.38098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.07065e+02   -2.86567e+01    5.30161e-06


DD  step 224519999 load imb.: force 20.9%  pme mesh/force 0.802
           Step           Time
      224520000   449040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21366e+03    1.90541e+04    1.32454e+04    1.20265e+03   -3.12579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83483e+03    9.36946e+04    3.99335e+05   -2.33877e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64274e+04   -2.44818e+06    4.79626e+05   -1.96855e+06    2.38104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10950e+02   -2.07313e+02   -2.16161e+01    5.43935e-06


DD  step 224524999 load imb.: force 18.4%  pme mesh/force 0.782
           Step           Time
      224525000   449050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95687e+03    1.94994e+04    1.30501e+04    1.23580e+03   -3.03925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83195e+03    9.31128e+04    4.02514e+05   -2.33819e+04   -2.98127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67215e+04   -2.44877e+06    4.77941e+05   -1.97083e+06    2.38110e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09858e+02   -2.07210e+02    2.44254e+01    5.26228e-06


DD  step 224529999 load imb.: force 16.3%  pme mesh/force 0.735
           Step           Time
      224530000   449060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03585e+03    1.94148e+04    1.30043e+04    1.22727e+03   -3.00230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90519e+03    9.28706e+04    3.98753e+05   -2.33836e+04   -2.97560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63254e+04   -2.44745e+06    4.78024e+05   -1.96943e+06    2.38116e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09911e+02   -2.07240e+02   -5.36241e+01    5.31845e-06


DD  step 224534999 load imb.: force 16.9%  pme mesh/force 0.776
           Step           Time
      224535000   449070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17836e+03    1.93413e+04    1.30312e+04    1.15028e+03   -2.99739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78458e+03    9.29952e+04    4.03210e+05   -2.33653e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66057e+04   -2.44624e+06    4.78741e+05   -1.96750e+06    2.38121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10376e+02   -2.06917e+02    5.58663e+01    5.49921e-06


DD  step 224539999 load imb.: force 17.4%  pme mesh/force 0.778
           Step           Time
      224540000   449080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90768e+03    1.95702e+04    1.30297e+04    1.14772e+03   -2.92729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85616e+03    9.27535e+04    3.98454e+05   -2.33868e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64258e+04   -2.44773e+06    4.80134e+05   -1.96760e+06    2.38127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11279e+02   -2.07297e+02   -1.08592e+02    5.39635e-06


DD  step 224544999 load imb.: force 19.5%  pme mesh/force 0.780
           Step           Time
      224545000   449090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99086e+03    1.94831e+04    1.32186e+04    1.19993e+03   -3.06483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84770e+03    9.29147e+04    4.03469e+05   -2.33869e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65912e+04   -2.44556e+06    4.81243e+05   -1.96431e+06    2.38133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11999e+02   -2.07299e+02    1.18223e+02    5.46680e-06


DD  step 224549999 load imb.: force 17.6%  pme mesh/force 0.748
           Step           Time
      224550000   449100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87107e+03    1.96961e+04    1.30152e+04    1.17066e+03   -3.11355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74339e+03    9.30106e+04    4.01857e+05   -2.34101e+04   -2.98038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63819e+04   -2.44915e+06    4.78887e+05   -1.97027e+06    2.38139e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10471e+02   -2.07710e+02    6.06868e+01    5.44671e-06


DD  step 224554999 load imb.: force 20.0%  pme mesh/force 0.801
           Step           Time
      224555000   449110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13365e+03    1.93566e+04    1.31997e+04    1.20218e+03   -3.06520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88276e+03    9.33137e+04    3.98020e+05   -2.34013e+04   -2.97326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66666e+04   -2.44495e+06    4.80769e+05   -1.96418e+06    2.38145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11691e+02   -2.07554e+02    2.23721e+01    5.34305e-06


DD  step 224559999 load imb.: force 18.7%  pme mesh/force 0.772
           Step           Time
      224560000   449120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78764e+03    1.95124e+04    1.30845e+04    1.29204e+03   -3.00089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88637e+03    9.27981e+04    4.00537e+05   -2.33849e+04   -2.97904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65747e+04   -2.44895e+06    4.79203e+05   -1.96975e+06    2.38151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10676e+02   -2.07263e+02    3.30589e+01    5.23194e-06


DD  step 224564999 load imb.: force 17.4%  pme mesh/force 0.749
           Step           Time
      224565000   449130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99206e+03    1.94672e+04    1.31579e+04    1.15169e+03   -2.94531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66932e+03    9.30775e+04    4.02453e+05   -2.34292e+04   -2.98121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65334e+04   -2.44908e+06    4.80445e+05   -1.96864e+06    2.38156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11481e+02   -2.08049e+02    2.07883e+00    5.13510e-06


DD  step 224569999 load imb.: force 17.8%  pme mesh/force 0.782
           Step           Time
      224570000   449140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30265e+03    1.98706e+04    1.31239e+04    1.23461e+03   -2.98330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71069e+03    9.25807e+04    4.00241e+05   -2.33927e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65765e+04   -2.44590e+06    4.79376e+05   -1.96652e+06    2.38163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10788e+02   -2.07402e+02   -4.61680e+01    5.27943e-06


DD  step 224574999 load imb.: force 15.4%  pme mesh/force 0.752
           Step           Time
      224575000   449150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11236e+03    1.92722e+04    1.31541e+04    1.20666e+03   -3.10325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90976e+03    9.29405e+04    4.00995e+05   -2.33877e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65561e+04   -2.44704e+06    4.78042e+05   -1.96899e+06    2.38168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09923e+02   -2.07314e+02    1.44207e+01    5.37130e-06


DD  step 224579999 load imb.: force 19.7%  pme mesh/force 0.772
           Step           Time
      224580000   449160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24221e+03    1.96439e+04    1.31744e+04    1.16825e+03   -3.05600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79462e+03    9.35858e+04    4.01733e+05   -2.33581e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66343e+04   -2.44451e+06    4.79593e+05   -1.96492e+06    2.38174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.06788e+02    7.65516e+01    5.27867e-06


DD  step 224584999 load imb.: force 16.8%  pme mesh/force 0.773
           Step           Time
      224585000   449170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90234e+03    1.93379e+04    1.30072e+04    1.12843e+03   -2.98498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87649e+03    9.27480e+04    3.98744e+05   -2.34026e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64128e+04   -2.44831e+06    4.81074e+05   -1.96724e+06    2.38179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11889e+02   -2.07577e+02   -6.45348e+01    5.42700e-06


DD  step 224589999 load imb.: force 18.1%  pme mesh/force 0.794
           Step           Time
      224590000   449180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86268e+03    1.94580e+04    1.32824e+04    1.17517e+03   -2.97101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97069e+03    9.30535e+04    4.04334e+05   -2.33777e+04   -2.98109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67431e+04   -2.44656e+06    4.81172e+05   -1.96539e+06    2.38186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.07136e+02    1.94749e+02    5.30780e-06


DD  step 224594999 load imb.: force 17.9%  pme mesh/force 0.745
           Step           Time
      224595000   449190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09821e+03    1.95821e+04    1.31300e+04    1.24879e+03   -3.09281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78334e+03    9.38783e+04    3.99963e+05   -2.33444e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65338e+04   -2.44420e+06    4.83507e+05   -1.96070e+06    2.38191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13466e+02   -2.06548e+02    6.51015e+00    5.39442e-06


DD  step 224599999 load imb.: force 18.0%  pme mesh/force 0.787
           Step           Time
      224600000   449200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96483e+03    1.94163e+04    1.32479e+04    1.22949e+03   -3.13516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96945e+03    9.29332e+04    4.02685e+05   -2.34278e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66429e+04   -2.44597e+06    4.79960e+05   -1.96601e+06    2.38197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11166e+02   -2.08024e+02    1.53613e+02    5.41067e-06


DD  step 224604999 load imb.: force 18.9%  pme mesh/force 0.782
           Step           Time
      224605000   449210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09261e+03    1.93826e+04    1.31225e+04    1.13627e+03   -3.06380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80535e+03    9.34699e+04    3.98494e+05   -2.34396e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64542e+04   -2.44794e+06    4.79924e+05   -1.96801e+06    2.38203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11144e+02   -2.08233e+02   -5.14225e+01    5.42775e-06


DD  step 224609999 load imb.: force 18.6%  pme mesh/force 0.810
           Step           Time
      224610000   449220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24109e+03    1.96112e+04    1.29336e+04    1.24810e+03   -3.12823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87159e+03    9.27046e+04    4.02459e+05   -2.33702e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65316e+04   -2.44538e+06    4.82509e+05   -1.96288e+06    2.38209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12819e+02   -2.07004e+02    6.03078e+01    5.29768e-06


DD  step 224614999 load imb.: force 18.6%  pme mesh/force 0.793
           Step           Time
      224615000   449230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11175e+03    1.92856e+04    1.30778e+04    1.26928e+03   -3.02229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72176e+03    9.30520e+04    4.02455e+05   -2.33686e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65814e+04   -2.44780e+06    4.79716e+05   -1.96808e+06    2.38214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.06976e+02   -2.47873e+00    5.29265e-06


DD  step 224619999 load imb.: force 16.7%  pme mesh/force 0.763
           Step           Time
      224620000   449240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96122e+03    1.96221e+04    1.28532e+04    1.20634e+03   -2.99785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87872e+03    9.29554e+04    4.01558e+05   -2.33737e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63617e+04   -2.44910e+06    4.79736e+05   -1.96936e+06    2.38220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11021e+02   -2.07066e+02    4.18617e+00    5.35556e-06


DD  step 224624999 load imb.: force 15.7%  pme mesh/force 0.746
           Step           Time
      224625000   449250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01940e+03    1.94155e+04    1.32326e+04    1.21460e+03   -3.10495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89111e+03    9.26589e+04    4.03150e+05   -2.33833e+04   -2.98008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65316e+04   -2.44745e+06    4.78893e+05   -1.96856e+06    2.38226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.07236e+02    7.61506e+01    5.38335e-06


DD  step 224629999 load imb.: force 18.5%  pme mesh/force 0.761
           Step           Time
      224630000   449260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93355e+03    1.94090e+04    1.30390e+04    1.25635e+03   -3.07172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89952e+03    9.37037e+04    4.02459e+05   -2.33579e+04   -2.98164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63741e+04   -2.44899e+06    4.80683e+05   -1.96831e+06    2.38232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11636e+02   -2.06786e+02    4.27461e+01    5.36095e-06


DD  step 224634999 load imb.: force 19.0%  pme mesh/force 0.793
           Step           Time
      224635000   449270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97378e+03    1.98209e+04    1.30966e+04    1.23690e+03   -2.93154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82321e+03    9.35545e+04    3.99903e+05   -2.33724e+04   -2.97717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66030e+04   -2.44646e+06    4.82213e+05   -1.96425e+06    2.38238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12627e+02   -2.07043e+02   -3.33456e+01    5.35610e-06


DD  step 224639999 load imb.: force 18.3%  pme mesh/force 0.767
           Step           Time
      224640000   449280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19425e+03    1.94349e+04    1.30047e+04    1.13583e+03   -3.16436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88758e+03    9.29568e+04    4.00665e+05   -2.34074e+04   -2.97910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64901e+04   -2.44891e+06    4.78830e+05   -1.97008e+06    2.38243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.07662e+02    9.64401e+00    5.35296e-06


DD  step 224644999 load imb.: force 19.2%  pme mesh/force 0.804
           Step           Time
      224645000   449290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16576e+03    1.94786e+04    1.31651e+04    1.22841e+03   -3.10431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83718e+03    9.31624e+04    4.01137e+05   -2.33550e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63502e+04   -2.44675e+06    4.82067e+05   -1.96468e+06    2.38249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12533e+02   -2.06735e+02    2.16564e+01    5.49897e-06


DD  step 224649999 load imb.: force 17.8%  pme mesh/force 0.755
           Step           Time
      224650000   449300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98972e+03    1.89655e+04    1.30248e+04    1.23860e+03   -3.00370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97683e+03    9.35876e+04    4.02081e+05   -2.34210e+04   -2.98121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65960e+04   -2.44918e+06    4.79384e+05   -1.96979e+06    2.38255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10793e+02   -2.07904e+02    7.80063e+01    5.17906e-06


DD  step 224654999 load imb.: force 17.6%  pme mesh/force 0.760
           Step           Time
      224655000   449310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29492e+03    1.97020e+04    1.31580e+04    1.19258e+03   -3.06143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77769e+03    9.32056e+04    4.01692e+05   -2.33799e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65816e+04   -2.44620e+06    4.81005e+05   -1.96519e+06    2.38261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11844e+02   -2.07175e+02   -7.73590e+00    5.35796e-06


DD  step 224659999 load imb.: force 18.4%  pme mesh/force 0.785
           Step           Time
      224660000   449320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90184e+03    1.95612e+04    1.30598e+04    1.16972e+03   -3.11862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96986e+03    9.32643e+04    4.01644e+05   -2.33483e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66540e+04   -2.44634e+06    4.81202e+05   -1.96513e+06    2.38266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11972e+02   -2.06617e+02    9.83363e+01    5.43480e-06


DD  step 224664999 load imb.: force 19.4%  pme mesh/force 0.803
           Step           Time
      224665000   449330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59916e+03    1.92587e+04    1.31626e+04    1.15076e+03   -3.04471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91274e+03    9.36773e+04    3.99902e+05   -2.33851e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63181e+04   -2.44701e+06    4.78856e+05   -1.96816e+06    2.38271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.07268e+02   -4.72572e+00    5.35288e-06


DD  step 224669999 load imb.: force 17.2%  pme mesh/force 0.778
           Step           Time
      224670000   449340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07880e+03    1.92978e+04    1.31647e+04    1.12830e+03   -3.03126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90642e+03    9.31833e+04    3.98401e+05   -2.33770e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66261e+04   -2.44612e+06    4.78496e+05   -1.96762e+06    2.38278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10218e+02   -2.07123e+02   -2.82209e+01    5.24627e-06


DD  step 224674999 load imb.: force 17.5%  pme mesh/force 0.760
           Step           Time
      224675000   449350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95521e+03    1.94841e+04    1.31364e+04    1.21277e+03   -3.01594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87096e+03    9.36519e+04    3.97049e+05   -2.33732e+04   -2.97289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66305e+04   -2.44529e+06    4.78851e+05   -1.96644e+06    2.38284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10448e+02   -2.07056e+02   -7.54221e+01    5.30863e-06


DD  step 224679999 load imb.: force 18.4%  pme mesh/force 0.778
           Step           Time
      224680000   449360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01211e+03    1.93311e+04    1.31208e+04    1.14020e+03   -2.90519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88153e+03    9.33957e+04    4.00582e+05   -2.34035e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65690e+04   -2.44798e+06    4.81350e+05   -1.96663e+06    2.38289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12068e+02   -2.07592e+02    5.31874e+01    5.19209e-06


DD  step 224684999 load imb.: force 16.7%  pme mesh/force 0.748
           Step           Time
      224685000   449370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01196e+03    1.99303e+04    1.29691e+04    1.24064e+03   -3.10170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73337e+03    9.31036e+04    4.01055e+05   -2.33825e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63981e+04   -2.44792e+06    4.78990e+05   -1.96893e+06    2.38296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.07220e+02    2.72099e+01    5.33087e-06


DD  step 224689999 load imb.: force 17.9%  pme mesh/force 0.781
           Step           Time
      224690000   449380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22159e+03    1.95184e+04    1.29902e+04    1.17830e+03   -3.05652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80792e+03    9.28341e+04    4.00301e+05   -2.33523e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64801e+04   -2.44657e+06    4.79743e+05   -1.96683e+06    2.38302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11026e+02   -2.06686e+02   -1.85197e+01    5.48845e-06

Writing checkpoint, step 224694950 at Tue Nov  7 23:01:28 2023



DD  step 224694999 load imb.: force 20.3%  pme mesh/force 0.804
           Step           Time
      224695000   449390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13571e+03    1.96457e+04    1.30482e+04    1.15690e+03   -3.07446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88922e+03    9.32042e+04    3.98827e+05   -2.34168e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64012e+04   -2.44718e+06    4.78682e+05   -1.96849e+06    2.38308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.07829e+02   -1.21205e+01    5.37073e-06


DD  step 224699999 load imb.: force 16.7%  pme mesh/force 0.739
           Step           Time
      224700000   449400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24742e+03    1.96208e+04    1.30778e+04    1.15893e+03   -3.00203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80532e+03    9.38078e+04    3.94889e+05   -2.32968e+04   -2.96822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66748e+04   -2.44224e+06    4.79423e+05   -1.96282e+06    2.38313e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.05706e+02   -1.63796e+02    5.42963e-06


DD  step 224704999 load imb.: force 16.7%  pme mesh/force 0.718
           Step           Time
      224705000   449410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90356e+03    1.92167e+04    1.31663e+04    1.19564e+03   -3.12145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82689e+03    9.35224e+04    3.99084e+05   -2.33817e+04   -2.97571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65451e+04   -2.44675e+06    4.78945e+05   -1.96781e+06    2.38319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10509e+02   -2.07206e+02   -5.36520e+01    5.41702e-06


DD  step 224709999 load imb.: force 16.4%  pme mesh/force 0.750
           Step           Time
      224710000   449420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93000e+03    1.93517e+04    1.32663e+04    1.19081e+03   -3.11534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92769e+03    9.32658e+04    3.97340e+05   -2.34001e+04   -2.97503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64484e+04   -2.44783e+06    4.78809e+05   -1.96902e+06    2.38325e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10420e+02   -2.07533e+02   -2.29317e+01    5.33839e-06


DD  step 224714999 load imb.: force 15.8%  pme mesh/force 0.747
           Step           Time
      224715000   449430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19227e+03    1.93757e+04    1.29397e+04    1.16581e+03   -2.99594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86106e+03    9.30290e+04    4.00070e+05   -2.33663e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64177e+04   -2.44660e+06    4.78902e+05   -1.96770e+06    2.38330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.06935e+02   -1.78142e+01    5.51109e-06


DD  step 224719999 load imb.: force 17.0%  pme mesh/force 0.725
           Step           Time
      224720000   449440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92579e+03    1.92690e+04    1.31086e+04    1.17843e+03   -3.04265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89554e+03    9.31152e+04    4.02601e+05   -2.33667e+04   -2.98050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65187e+04   -2.44830e+06    4.77826e+05   -1.97047e+06    2.38337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09783e+02   -2.06941e+02    6.97970e+01    5.28706e-06


DD  step 224724999 load imb.: force 17.8%  pme mesh/force 0.721
           Step           Time
      224725000   449450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14488e+03    1.94890e+04    1.30647e+04    1.17207e+03   -3.17565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75731e+03    9.32992e+04    4.00119e+05   -2.33991e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62734e+04   -2.44946e+06    4.80123e+05   -1.96934e+06    2.38342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11272e+02   -2.07514e+02   -4.58570e+01    5.24930e-06


DD  step 224729999 load imb.: force 16.6%  pme mesh/force 0.738
           Step           Time
      224730000   449460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11600e+03    1.97389e+04    1.30724e+04    1.20980e+03   -3.12316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85437e+03    9.19695e+04    3.99007e+05   -2.34080e+04   -2.97366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66800e+04   -2.44555e+06    4.80862e+05   -1.96468e+06    2.38348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11751e+02   -2.07673e+02    1.53616e+01    5.37970e-06


DD  step 224734999 load imb.: force 16.5%  pme mesh/force 0.726
           Step           Time
      224735000   449470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85682e+03    1.92105e+04    1.30540e+04    1.23834e+03   -3.08711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85899e+03    9.37199e+04    3.98508e+05   -2.34074e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65501e+04   -2.44520e+06    4.78770e+05   -1.96643e+06    2.38354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10395e+02   -2.07662e+02    1.24724e+01    5.21454e-06


DD  step 224739999 load imb.: force 19.3%  pme mesh/force 0.749
           Step           Time
      224740000   449480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95175e+03    1.96315e+04    1.31025e+04    1.17973e+03   -2.98862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78451e+03    9.31727e+04    4.01138e+05   -2.33469e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61134e+04   -2.44585e+06    4.79342e+05   -1.96651e+06    2.38360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10766e+02   -2.06592e+02    6.35742e-01    5.41652e-06


DD  step 224744999 load imb.: force 15.3%  pme mesh/force 0.712
           Step           Time
      224745000   449490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74013e+03    1.90457e+04    1.31008e+04    1.25388e+03   -3.02605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74613e+03    9.33745e+04    4.01464e+05   -2.33570e+04   -2.98163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63202e+04   -2.45097e+06    4.77911e+05   -1.97306e+06    2.38366e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09838e+02   -2.06770e+02   -1.14815e+01    5.20380e-06


DD  step 224749999 load imb.: force 16.8%  pme mesh/force 0.753
           Step           Time
      224750000   449500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18092e+03    1.91915e+04    1.32030e+04    1.18756e+03   -3.03332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83320e+03    9.29785e+04    3.98844e+05   -2.33881e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66229e+04   -2.44967e+06    4.78897e+05   -1.97077e+06    2.38371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10477e+02   -2.07321e+02   -4.94143e+01    5.44193e-06


DD  step 224754999 load imb.: force 15.9%  pme mesh/force 0.740
           Step           Time
      224755000   449510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93915e+03    1.95973e+04    1.30397e+04    1.19236e+03   -2.95487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72638e+03    9.27994e+04    4.01961e+05   -2.33758e+04   -2.98216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65332e+04   -2.45070e+06    4.79475e+05   -1.97123e+06    2.38377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.07103e+02   -2.60126e+01    5.26686e-06


DD  step 224759999 load imb.: force 16.3%  pme mesh/force 0.710
           Step           Time
      224760000   449520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21546e+03    1.94179e+04    1.31730e+04    1.14841e+03   -3.11218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83207e+03    9.32190e+04    3.99936e+05   -2.33857e+04   -2.97580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64607e+04   -2.44590e+06    4.81047e+05   -1.96485e+06    2.38383e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11871e+02   -2.07278e+02    4.03549e+01    5.36462e-06


DD  step 224764999 load imb.: force 15.9%  pme mesh/force 0.743
           Step           Time
      224765000   449530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26408e+03    1.93874e+04    1.31450e+04    1.18145e+03   -3.09210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85099e+03    9.35399e+04    4.00682e+05   -2.33506e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64253e+04   -2.44795e+06    4.77770e+05   -1.97018e+06    2.38389e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09747e+02   -2.06656e+02   -2.18586e+01    5.42778e-06


DD  step 224769999 load imb.: force 18.3%  pme mesh/force 0.758
           Step           Time
      224770000   449540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88357e+03    1.95135e+04    1.30272e+04    1.16438e+03   -2.90259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90187e+03    9.33060e+04    4.01458e+05   -2.33697e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65127e+04   -2.44551e+06    4.79796e+05   -1.96571e+06    2.38394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.06994e+02    5.48757e+01    5.47687e-06


DD  step 224774999 load imb.: force 15.6%  pme mesh/force 0.748
           Step           Time
      224775000   449550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12673e+03    1.96519e+04    1.28435e+04    1.15676e+03   -2.92547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70733e+03    9.25982e+04    4.01715e+05   -2.33551e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65782e+04   -2.44814e+06    4.79620e+05   -1.96852e+06    2.38400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.06736e+02   -1.14088e+00    5.44016e-06


DD  step 224779999 load imb.: force 18.3%  pme mesh/force 0.758
           Step           Time
      224780000   449560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17554e+03    1.94987e+04    1.30039e+04    1.10251e+03   -2.95745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89265e+03    9.33034e+04    4.04331e+05   -2.34027e+04   -2.98409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64114e+04   -2.44973e+06    4.79512e+05   -1.97022e+06    2.38406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.07578e+02    7.94757e+01    5.34934e-06


DD  step 224784999 load imb.: force 18.1%  pme mesh/force 0.802
           Step           Time
      224785000   449570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08576e+03    1.93818e+04    1.31683e+04    1.12263e+03   -3.00254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74091e+03    9.35548e+04    4.00258e+05   -2.32935e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65085e+04   -2.44622e+06    4.78283e+05   -1.96793e+06    2.38412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10080e+02   -2.05649e+02   -5.86295e+01    5.44673e-06


DD  step 224789999 load imb.: force 17.2%  pme mesh/force 0.746
           Step           Time
      224790000   449580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75797e+03    1.95280e+04    1.31541e+04    1.12589e+03   -3.04015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85565e+03    9.30841e+04    4.01139e+05   -2.34199e+04   -2.98072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63445e+04   -2.45019e+06    4.79416e+05   -1.97077e+06    2.38417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10814e+02   -2.07884e+02    3.98475e+01    5.44549e-06


DD  step 224794999 load imb.: force 16.0%  pme mesh/force 0.739
           Step           Time
      224795000   449590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88342e+03    1.95456e+04    1.31359e+04    1.19373e+03   -3.07096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80446e+03    9.32786e+04    3.99517e+05   -2.33990e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64460e+04   -2.44649e+06    4.79727e+05   -1.96676e+06    2.38423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.07513e+02    1.35504e+01    5.35165e-06


DD  step 224799999 load imb.: force 15.5%  pme mesh/force 0.730
           Step           Time
      224800000   449600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06505e+03    1.95046e+04    1.31778e+04    1.14412e+03   -3.08186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83580e+03    9.30782e+04    4.00511e+05   -2.33936e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65186e+04   -2.44765e+06    4.78369e+05   -1.96928e+06    2.38429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10135e+02   -2.07418e+02   -3.22095e+01    5.48648e-06


DD  step 224804999 load imb.: force 19.0%  pme mesh/force 0.780
           Step           Time
      224805000   449610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93261e+03    1.95147e+04    1.29074e+04    1.14427e+03   -2.90567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83418e+03    9.29454e+04    3.98243e+05   -2.34000e+04   -2.97358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63358e+04   -2.44603e+06    4.76688e+05   -1.96934e+06    2.38434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09045e+02   -2.07532e+02   -3.99934e+01    5.34090e-06


DD  step 224809999 load imb.: force 16.6%  pme mesh/force 0.751
           Step           Time
      224810000   449620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95274e+03    1.95494e+04    1.30092e+04    1.16875e+03   -3.01779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95880e+03    9.36285e+04    4.02997e+05   -2.33389e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63193e+04   -2.44615e+06    4.77832e+05   -1.96832e+06    2.38441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09787e+02   -2.06450e+02    1.97355e+01    5.46601e-06


DD  step 224814999 load imb.: force 16.5%  pme mesh/force 0.729
           Step           Time
      224815000   449630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10187e+03    1.94587e+04    1.30076e+04    1.17211e+03   -3.04961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98578e+03    9.35368e+04    3.97903e+05   -2.33420e+04   -2.97424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64030e+04   -2.44606e+06    4.80159e+05   -1.96591e+06    2.38446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.06504e+02   -6.77704e+01    5.39935e-06


DD  step 224819999 load imb.: force 17.6%  pme mesh/force 0.753
           Step           Time
      224820000   449640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90351e+03    1.94049e+04    1.31700e+04    1.17297e+03   -3.00967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88622e+03    9.30838e+04    3.99543e+05   -2.34017e+04   -2.97951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63942e+04   -2.45036e+06    4.78802e+05   -1.97156e+06    2.38452e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10416e+02   -2.07561e+02   -3.92699e+01    5.51098e-06


DD  step 224824999 load imb.: force 19.1%  pme mesh/force 0.766
           Step           Time
      224825000   449650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91359e+03    1.93707e+04    1.31414e+04    1.10485e+03   -3.02452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76092e+03    9.32591e+04    4.00914e+05   -2.33629e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65500e+04   -2.44754e+06    4.79652e+05   -1.96789e+06    2.38458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10967e+02   -2.06874e+02   -1.35729e+01    5.42238e-06


DD  step 224829999 load imb.: force 19.2%  pme mesh/force 0.783
           Step           Time
      224830000   449660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86251e+03    1.93847e+04    1.28688e+04    1.23205e+03   -3.02740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90471e+03    9.30045e+04    3.99651e+05   -2.33707e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64716e+04   -2.44652e+06    4.78850e+05   -1.96767e+06    2.38463e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10447e+02   -2.07012e+02    2.22485e+01    5.45065e-06


DD  step 224834999 load imb.: force 19.6%  pme mesh/force 0.759
           Step           Time
      224835000   449670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76198e+03    1.95052e+04    1.30385e+04    1.17952e+03   -2.96109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96944e+03    9.29129e+04    4.01352e+05   -2.33945e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67153e+04   -2.44541e+06    4.79939e+05   -1.96547e+06    2.38469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.07434e+02    8.98444e+01    5.44607e-06


DD  step 224839999 load imb.: force 17.4%  pme mesh/force 0.767
           Step           Time
      224840000   449680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29203e+03    1.91665e+04    1.31429e+04    1.17335e+03   -3.10788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82588e+03    9.29671e+04    4.02080e+05   -2.33670e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66708e+04   -2.44721e+06    4.78949e+05   -1.96827e+06    2.38475e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10511e+02   -2.06946e+02    3.67711e+01    5.58234e-06


DD  step 224844999 load imb.: force 17.5%  pme mesh/force 0.798
           Step           Time
      224845000   449690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97497e+03    1.94526e+04    1.30864e+04    1.17017e+03   -2.96259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80395e+03    9.26990e+04    3.99279e+05   -2.33661e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65364e+04   -2.44952e+06    4.77896e+05   -1.97163e+06    2.38481e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09829e+02   -2.06930e+02   -7.74051e+01    5.45519e-06


DD  step 224849999 load imb.: force 21.2%  pme mesh/force 0.826
           Step           Time
      224850000   449700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20538e+03    1.93706e+04    1.32597e+04    1.21047e+03   -3.05171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79644e+03    9.27343e+04    4.01155e+05   -2.33649e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65796e+04   -2.44691e+06    4.78718e+05   -1.96819e+06    2.38487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.06910e+02    3.89759e+01    5.31875e-06


DD  step 224854999 load imb.: force 16.9%  pme mesh/force 0.897
           Step           Time
      224855000   449710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76397e+03    1.96538e+04    1.30819e+04    1.12997e+03   -3.06645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90109e+03    9.29990e+04    3.98282e+05   -2.33773e+04   -2.96969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65144e+04   -2.44181e+06    4.79142e+05   -1.96267e+06    2.38493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10637e+02   -2.07129e+02    4.03057e+01    5.66968e-06


DD  step 224859999 load imb.: force 16.5%  pme mesh/force 0.780
           Step           Time
      224860000   449720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11644e+03    1.92291e+04    1.31125e+04    1.18409e+03   -3.00663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74203e+03    9.28008e+04    4.01518e+05   -2.33396e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64085e+04   -2.44620e+06    4.81008e+05   -1.96519e+06    2.38498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11846e+02   -2.06462e+02   -2.19767e+01    5.50147e-06


DD  step 224864999 load imb.: force 20.1%  pme mesh/force 0.805
           Step           Time
      224865000   449730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28741e+03    1.97491e+04    1.31452e+04    1.16614e+03   -2.96751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76017e+03    9.25097e+04    3.99474e+05   -2.33531e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68573e+04   -2.44587e+06    4.80240e+05   -1.96563e+06    2.38505e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.06701e+02   -7.42702e+01    5.40224e-06


DD  step 224869999 load imb.: force 17.9%  pme mesh/force 0.758
           Step           Time
      224870000   449740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09295e+03    1.91074e+04    1.28700e+04    1.18303e+03   -2.97685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93372e+03    9.30199e+04    4.00617e+05   -2.33514e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64897e+04   -2.44921e+06    4.80856e+05   -1.96835e+06    2.38510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11747e+02   -2.06670e+02   -4.23521e+01    5.44611e-06


DD  step 224874999 load imb.: force 16.2%  pme mesh/force 0.733
           Step           Time
      224875000   449750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05307e+03    1.98832e+04    1.27958e+04    1.17199e+03   -2.92641e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76403e+03    9.29137e+04    3.99589e+05   -2.33265e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65094e+04   -2.44491e+06    4.81330e+05   -1.96358e+06    2.38515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12055e+02   -2.06231e+02   -4.23481e+01    5.56977e-06


DD  step 224879999 load imb.: force 17.0%  pme mesh/force 0.736
           Step           Time
      224880000   449760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79212e+03    1.94647e+04    1.30399e+04    1.11405e+03   -3.05639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85785e+03    9.30336e+04    4.03711e+05   -2.33903e+04   -2.98096e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64118e+04   -2.44798e+06    4.80349e+05   -1.96763e+06    2.38521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11419e+02   -2.07360e+02    1.22799e+02    5.35989e-06


DD  step 224884999 load imb.: force 17.4%  pme mesh/force 0.774
           Step           Time
      224885000   449770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01108e+03    1.99287e+04    1.30425e+04    1.12681e+03   -3.11780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79378e+03    9.27999e+04    3.98484e+05   -2.33972e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64796e+04   -2.44593e+06    4.80860e+05   -1.96507e+06    2.38527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11750e+02   -2.07481e+02   -9.31749e+00    5.42387e-06


DD  step 224889999 load imb.: force 18.0%  pme mesh/force 0.706
           Step           Time
      224890000   449780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08309e+03    1.89445e+04    1.29593e+04    1.14759e+03   -2.97964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86394e+03    9.34040e+04    4.01847e+05   -2.33739e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64954e+04   -2.44647e+06    4.79264e+05   -1.96721e+06    2.38533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.07069e+02    1.72466e+01    5.37717e-06


DD  step 224894999 load imb.: force 18.7%  pme mesh/force 0.775
           Step           Time
      224895000   449790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89452e+03    1.91357e+04    1.29099e+04    1.14094e+03   -2.92806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83138e+03    9.34678e+04    3.99786e+05   -2.33853e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64154e+04   -2.44950e+06    4.79520e+05   -1.96998e+06    2.38539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10882e+02   -2.07271e+02   -4.49169e+01    5.47423e-06


DD  step 224899999 load imb.: force 16.4%  pme mesh/force 0.739
           Step           Time
      224900000   449800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24515e+03    2.00514e+04    1.31482e+04    1.31824e+03   -2.94436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86820e+03    9.23865e+04    4.00909e+05   -2.33702e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64128e+04   -2.44449e+06    4.82155e+05   -1.96233e+06    2.38545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12590e+02   -2.07003e+02    2.34425e+01    5.57695e-06


DD  step 224904999 load imb.: force 17.6%  pme mesh/force 0.779
           Step           Time
      224905000   449810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36109e+03    1.93904e+04    1.30417e+04    1.14703e+03   -2.91960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81667e+03    9.29597e+04    4.03286e+05   -2.34025e+04   -2.98132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65583e+04   -2.44808e+06    4.80294e+05   -1.96778e+06    2.38551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.07575e+02    4.56540e+01    5.41254e-06


DD  step 224909999 load imb.: force 15.7%  pme mesh/force 0.748
           Step           Time
      224910000   449820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93315e+03    1.93281e+04    1.29599e+04    1.21690e+03   -3.00826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92998e+03    9.33317e+04    4.02124e+05   -2.33374e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67010e+04   -2.44475e+06    4.81632e+05   -1.96311e+06    2.38556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12250e+02   -2.06424e+02    9.92743e+01    5.36168e-06


DD  step 224914999 load imb.: force 18.1%  pme mesh/force 0.797
           Step           Time
      224915000   449830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08710e+03    1.97311e+04    1.30700e+04    1.17524e+03   -3.05953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78068e+03    9.29658e+04    4.03601e+05   -2.34118e+04   -2.98024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63594e+04   -2.44694e+06    4.79096e+05   -1.96785e+06    2.38562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.07739e+02    9.72514e+01    5.49075e-06


DD  step 224919999 load imb.: force 18.3%  pme mesh/force 0.762
           Step           Time
      224920000   449840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24343e+03    1.94171e+04    1.31932e+04    1.16390e+03   -3.00123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84056e+03    9.28430e+04    4.01327e+05   -2.33998e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64654e+04   -2.44606e+06    4.79678e+05   -1.96638e+06    2.38568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10984e+02   -2.07528e+02    9.20149e+00    5.40786e-06


DD  step 224924999 load imb.: force 17.5%  pme mesh/force 0.776
           Step           Time
      224925000   449850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06653e+03    1.96190e+04    1.31843e+04    1.13506e+03   -2.94312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68307e+03    9.30359e+04    3.97029e+05   -2.34111e+04   -2.97345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67497e+04   -2.44631e+06    4.80233e+05   -1.96607e+06    2.38574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11343e+02   -2.07728e+02   -9.35669e+01    5.33213e-06


DD  step 224929999 load imb.: force 17.4%  pme mesh/force 0.734
           Step           Time
      224930000   449860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11864e+03    1.90452e+04    1.31570e+04    1.11242e+03   -3.05365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84968e+03    9.38424e+04    4.01556e+05   -2.33922e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65503e+04   -2.44703e+06    4.80089e+05   -1.96694e+06    2.38579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.07393e+02    3.82922e+01    5.41517e-06


DD  step 224934999 load imb.: force 20.4%  pme mesh/force 0.782
           Step           Time
      224935000   449870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93971e+03    1.96669e+04    1.29734e+04    1.16082e+03   -3.03210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69404e+03    9.30796e+04    3.96443e+05   -2.33684e+04   -2.97071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66501e+04   -2.44451e+06    4.80772e+05   -1.96373e+06    2.38585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11693e+02   -2.06972e+02   -8.70104e+01    5.25681e-06


DD  step 224939999 load imb.: force 21.6%  pme mesh/force 0.831
           Step           Time
      224940000   449880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00671e+03    1.93149e+04    1.29968e+04    1.20409e+03   -2.93549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79939e+03    9.31109e+04    3.99829e+05   -2.34331e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64928e+04   -2.44825e+06    4.79269e+05   -1.96898e+06    2.38591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10719e+02   -2.08118e+02    1.72296e+01    5.41746e-06


DD  step 224944999 load imb.: force 18.3%  pme mesh/force 0.763
           Step           Time
      224945000   449890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94318e+03    1.92601e+04    1.30408e+04    1.21338e+03   -3.01957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90758e+03    9.32774e+04    4.03146e+05   -2.33990e+04   -2.98293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64380e+04   -2.45012e+06    4.82292e+05   -1.96783e+06    2.38596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12678e+02   -2.07513e+02    7.27719e+01    5.37357e-06


DD  step 224949999 load imb.: force 15.9%  pme mesh/force 0.763
           Step           Time
      224950000   449900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07499e+03    1.92563e+04    1.29848e+04    1.22513e+03   -3.09195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79162e+03    9.30771e+04    4.03117e+05   -2.34082e+04   -2.98141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65103e+04   -2.44887e+06    4.81901e+05   -1.96697e+06    2.38602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12425e+02   -2.07677e+02    1.00274e+02    5.50948e-06


DD  step 224954999 load imb.: force 17.2%  pme mesh/force 0.733
           Step           Time
      224955000   449910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90222e+03    1.94611e+04    1.31614e+04    1.13277e+03   -3.04397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69153e+03    9.35476e+04    4.00335e+05   -2.34173e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67185e+04   -2.44889e+06    4.78900e+05   -1.96999e+06    2.38608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.07838e+02   -2.60963e+01    5.47376e-06


DD  step 224959999 load imb.: force 19.0%  pme mesh/force 0.776
           Step           Time
      224960000   449920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89683e+03    1.94209e+04    1.30004e+04    1.27060e+03   -2.92097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82434e+03    9.32505e+04    4.00968e+05   -2.34142e+04   -2.98300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63964e+04   -2.45231e+06    4.80057e+05   -1.97225e+06    2.38614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.07783e+02    7.16675e+00    5.32003e-06


DD  step 224964999 load imb.: force 18.4%  pme mesh/force 0.783
           Step           Time
      224965000   449930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80545e+03    1.95912e+04    1.31938e+04    1.18102e+03   -3.00666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92810e+03    9.35363e+04    3.99795e+05   -2.33907e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65582e+04   -2.44781e+06    4.79721e+05   -1.96809e+06    2.38619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.07366e+02   -1.63872e+01    5.64609e-06


DD  step 224969999 load imb.: force 17.1%  pme mesh/force 0.778
           Step           Time
      224970000   449940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76447e+03    1.95280e+04    1.29816e+04    1.17965e+03   -3.00580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86359e+03    9.35310e+04    3.97421e+05   -2.33491e+04   -2.97037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64238e+04   -2.44303e+06    4.78797e+05   -1.96423e+06    2.38625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10413e+02   -2.06630e+02   -6.69591e+01    5.22317e-06


DD  step 224974999 load imb.: force 15.9%  pme mesh/force 0.740
           Step           Time
      224975000   449950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13946e+03    1.94401e+04    1.30608e+04    1.13461e+03   -3.17346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81289e+03    9.32587e+04    3.98671e+05   -2.33547e+04   -2.97277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65410e+04   -2.44424e+06    4.79825e+05   -1.96442e+06    2.38631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11079e+02   -2.06729e+02   -6.75718e+01    5.36432e-06


DD  step 224979999 load imb.: force 17.9%  pme mesh/force 0.761
           Step           Time
      224980000   449960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91060e+03    1.96121e+04    1.29252e+04    1.18944e+03   -3.11078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89808e+03    9.33685e+04    4.00471e+05   -2.33897e+04   -2.98073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63839e+04   -2.45047e+06    4.80538e+05   -1.96994e+06    2.38637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.07348e+02    8.60928e+00    5.44421e-06


DD  step 224984999 load imb.: force 19.2%  pme mesh/force 0.781
           Step           Time
      224985000   449970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98377e+03    1.93325e+04    1.31254e+04    1.24177e+03   -3.06563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02073e+03    9.38629e+04    4.00589e+05   -2.33836e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64707e+04   -2.44521e+06    4.79460e+05   -1.96575e+06    2.38643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07240e+02    5.49020e+01    5.38719e-06


DD  step 224989999 load imb.: force 18.6%  pme mesh/force 0.783
           Step           Time
      224990000   449980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05582e+03    1.96129e+04    1.31378e+04    1.31807e+03   -2.95306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76039e+03    9.30354e+04    4.00344e+05   -2.34347e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65726e+04   -2.44500e+06    4.80333e+05   -1.96467e+06    2.38649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11408e+02   -2.08147e+02    4.59760e+01    5.56109e-06


DD  step 224994999 load imb.: force 17.8%  pme mesh/force 0.779
           Step           Time
      224995000   449990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01517e+03    1.92392e+04    1.29381e+04    1.29657e+03   -2.95218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83701e+03    9.34617e+04    4.03835e+05   -2.33912e+04   -2.98514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64745e+04   -2.45139e+06    4.78991e+05   -1.97240e+06    2.38654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.07375e+02    4.33900e+01    5.39222e-06


DD  step 224999999 load imb.: force 17.0%  pme mesh/force 0.777
           Step           Time
      225000000   450000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12372e+03    1.93264e+04    1.31108e+04    1.28592e+03   -3.00827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79629e+03    9.25407e+04    4.01010e+05   -2.33716e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64603e+04   -2.44712e+06    4.81366e+05   -1.96575e+06    2.38660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12078e+02   -2.07028e+02    4.30260e+01    5.45986e-06


DD  step 225004999 load imb.: force 17.9%  pme mesh/force 0.768
           Step           Time
      225005000   450010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15208e+03    1.94939e+04    1.32323e+04    1.15406e+03   -3.00297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83502e+03    9.31571e+04    4.02871e+05   -2.33557e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63297e+04   -2.44578e+06    4.81563e+05   -1.96421e+06    2.38666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12206e+02   -2.06746e+02    2.52793e+01    5.48612e-06


DD  step 225009999 load imb.: force 17.6%  pme mesh/force 0.776
           Step           Time
      225010000   450020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13595e+03    1.94547e+04    1.33753e+04    1.12224e+03   -3.01619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81666e+03    9.28074e+04    4.00862e+05   -2.33513e+04   -2.97395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64966e+04   -2.44325e+06    4.79897e+05   -1.96335e+06    2.38672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11126e+02   -2.06670e+02    2.96142e+01    5.44702e-06


DD  step 225014999 load imb.: force 17.5%  pme mesh/force 0.774
           Step           Time
      225015000   450030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12180e+03    1.96133e+04    1.29289e+04    1.18256e+03   -3.07648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77623e+03    9.29373e+04    3.99326e+05   -2.33575e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66013e+04   -2.44540e+06    4.80199e+05   -1.96520e+06    2.38678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.06779e+02   -7.78875e+01    5.48223e-06


DD  step 225019999 load imb.: force 17.4%  pme mesh/force 0.775
           Step           Time
      225020000   450040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09353e+03    1.96518e+04    1.30988e+04    1.17541e+03   -2.96953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85868e+03    9.33909e+04    3.96339e+05   -2.33317e+04   -2.97107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64719e+04   -2.44429e+06    4.79476e+05   -1.96481e+06    2.38684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.06324e+02   -1.49807e+02    5.48001e-06

Writing checkpoint, step 225022250 at Tue Nov  7 23:16:28 2023



DD  step 225024999 load imb.: force 17.4%  pme mesh/force 0.777
           Step           Time
      225025000   450050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67519e+03    1.95303e+04    1.31617e+04    1.21274e+03   -3.05590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74280e+03    9.31440e+04    4.01565e+05   -2.33854e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66303e+04   -2.44716e+06    4.81874e+05   -1.96529e+06    2.38689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12408e+02   -2.07273e+02    7.70674e+01    5.37047e-06


DD  step 225029999 load imb.: force 18.1%  pme mesh/force 0.781
           Step           Time
      225030000   450060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84273e+03    1.93023e+04    1.30103e+04    1.23240e+03   -3.04223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78703e+03    9.28323e+04    4.00492e+05   -2.34176e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65044e+04   -2.44700e+06    4.78301e+05   -1.96870e+06    2.38694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.07844e+02    5.02565e+01    5.37757e-06


DD  step 225034999 load imb.: force 19.3%  pme mesh/force 0.783
           Step           Time
      225035000   450070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84229e+03    1.91499e+04    1.30098e+04    1.17021e+03   -3.08652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94278e+03    9.29733e+04    4.03801e+05   -2.34439e+04   -2.98067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65246e+04   -2.44778e+06    4.81632e+05   -1.96615e+06    2.38700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12251e+02   -2.08310e+02    1.58279e+02    5.63977e-06


DD  step 225039999 load imb.: force 17.4%  pme mesh/force 0.788
           Step           Time
      225040000   450080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01102e+03    1.91435e+04    1.30676e+04    1.16696e+03   -2.91405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88286e+03    9.32385e+04    3.99980e+05   -2.33795e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64945e+04   -2.44793e+06    4.80146e+05   -1.96778e+06    2.38706e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11287e+02   -2.07169e+02    1.37338e+01    5.58562e-06


DD  step 225044999 load imb.: force 17.4%  pme mesh/force 0.758
           Step           Time
      225045000   450090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19916e+03    1.90090e+04    1.31509e+04    1.17564e+03   -2.97122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85041e+03    9.31006e+04    4.01114e+05   -2.33987e+04   -2.97845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64857e+04   -2.44774e+06    4.80287e+05   -1.96745e+06    2.38712e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.07509e+02    3.12437e+01    5.48307e-06


DD  step 225049999 load imb.: force 17.1%  pme mesh/force 0.736
           Step           Time
      225050000   450100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.39052e+03    1.98071e+04    1.28550e+04    1.11508e+03   -2.96735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77282e+03    9.24332e+04    4.01132e+05   -2.33316e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63186e+04   -2.44431e+06    4.79058e+05   -1.96525e+06    2.38718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.06320e+02   -4.22798e+01    5.27008e-06


DD  step 225054999 load imb.: force 17.2%  pme mesh/force 0.758
           Step           Time
      225055000   450110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24942e+03    1.93753e+04    1.27842e+04    1.22536e+03   -2.85328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77457e+03    9.25493e+04    4.00997e+05   -2.34048e+04   -2.97819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65084e+04   -2.44799e+06    4.78846e+05   -1.96914e+06    2.38724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10445e+02   -2.07616e+02    3.99924e+01    5.56378e-06


DD  step 225059999 load imb.: force 18.1%  pme mesh/force 0.788
           Step           Time
      225060000   450120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16933e+03    1.92169e+04    1.29940e+04    1.24812e+03   -3.10548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77250e+03    9.28944e+04    4.01730e+05   -2.34148e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67875e+04   -2.44831e+06    4.78893e+05   -1.96942e+06    2.38729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.07793e+02    9.50929e+00    5.33308e-06


DD  step 225064999 load imb.: force 18.1%  pme mesh/force 0.786
           Step           Time
      225065000   450130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79484e+03    1.96792e+04    1.30877e+04    1.25232e+03   -2.96947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84117e+03    9.20784e+04    3.95943e+05   -2.33570e+04   -2.97376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66139e+04   -2.44880e+06    4.79867e+05   -1.96893e+06    2.38736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11106e+02   -2.06770e+02   -1.56174e+02    5.54541e-06


DD  step 225069999 load imb.: force 17.6%  pme mesh/force 0.778
           Step           Time
      225070000   450140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91240e+03    1.93852e+04    1.30096e+04    1.18491e+03   -3.05886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75093e+03    9.28840e+04    4.01661e+05   -2.34276e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64819e+04   -2.44884e+06    4.79978e+05   -1.96886e+06    2.38741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.08020e+02    4.10225e+01    5.45820e-06


DD  step 225074999 load imb.: force 17.6%  pme mesh/force 0.792
           Step           Time
      225075000   450150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09329e+03    1.93277e+04    1.30645e+04    1.16495e+03   -2.96178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85363e+03    9.28196e+04    3.99848e+05   -2.33660e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63867e+04   -2.44875e+06    4.77548e+05   -1.97121e+06    2.38747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09603e+02   -2.06928e+02   -7.49928e+01    5.45335e-06


DD  step 225079999 load imb.: force 15.7%  pme mesh/force 0.768
           Step           Time
      225080000   450160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91183e+03    1.93890e+04    1.30456e+04    1.19389e+03   -2.93175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85570e+03    9.27069e+04    3.99278e+05   -2.33767e+04   -2.97563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63805e+04   -2.44718e+06    4.79751e+05   -1.96743e+06    2.38752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11031e+02   -2.07118e+02    1.85401e+01    5.37920e-06


DD  step 225084999 load imb.: force 18.2%  pme mesh/force 0.786
           Step           Time
      225085000   450170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08679e+03    1.96416e+04    1.29616e+04    1.17939e+03   -2.83644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76525e+03    9.25618e+04    4.01029e+05   -2.33900e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64466e+04   -2.44551e+06    4.79226e+05   -1.96629e+06    2.38758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10691e+02   -2.07354e+02    5.00541e+01    5.47417e-06


DD  step 225089999 load imb.: force 18.4%  pme mesh/force 0.811
           Step           Time
      225090000   450180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13025e+03    1.94237e+04    1.30409e+04    1.20054e+03   -2.99640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78924e+03    9.28186e+04    4.00813e+05   -2.33584e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64900e+04   -2.44733e+06    4.80645e+05   -1.96668e+06    2.38763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.06794e+02   -1.35910e+01    5.49207e-06


DD  step 225094999 load imb.: force 16.9%  pme mesh/force 0.780
           Step           Time
      225095000   450190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10517e+03    1.96307e+04    1.28894e+04    1.16824e+03   -2.87723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86049e+03    9.27538e+04    3.99105e+05   -2.33325e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65733e+04   -2.44526e+06    4.80321e+05   -1.96494e+06    2.38770e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11401e+02   -2.06336e+02   -2.38786e+00    5.53933e-06


DD  step 225099999 load imb.: force 18.9%  pme mesh/force 0.816
           Step           Time
      225100000   450200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92555e+03    1.96359e+04    1.29487e+04    1.13393e+03   -3.01902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89733e+03    9.31597e+04    3.99414e+05   -2.33898e+04   -2.97361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64052e+04   -2.44450e+06    4.80966e+05   -1.96354e+06    2.38775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11819e+02   -2.07351e+02    4.52465e+01    5.58780e-06


DD  step 225104999 load imb.: force 16.9%  pme mesh/force 0.750
           Step           Time
      225105000   450210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97628e+03    1.97801e+04    1.29525e+04    1.21100e+03   -2.95321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84342e+03    9.28090e+04    3.99901e+05   -2.33677e+04   -2.97300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63709e+04   -2.44347e+06    4.81624e+05   -1.96185e+06    2.38781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12246e+02   -2.06958e+02    2.72963e+01    5.41675e-06


DD  step 225109999 load imb.: force 20.1%  pme mesh/force 0.781
           Step           Time
      225110000   450220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03919e+03    1.97388e+04    1.30715e+04    1.17455e+03   -2.91762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81252e+03    9.28484e+04    3.99034e+05   -2.33522e+04   -2.97290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65461e+04   -2.44390e+06    4.80604e+05   -1.96330e+06    2.38787e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11584e+02   -2.06685e+02   -3.13246e+01    5.52992e-06


DD  step 225114999 load imb.: force 18.7%  pme mesh/force 0.810
           Step           Time
      225115000   450230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06951e+03    1.94617e+04    1.30015e+04    1.19540e+03   -2.95624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83333e+03    9.25148e+04    4.00732e+05   -2.34133e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63798e+04   -2.44960e+06    4.80968e+05   -1.96863e+06    2.38793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11820e+02   -2.07767e+02    1.21170e+01    5.56357e-06


DD  step 225119999 load imb.: force 18.3%  pme mesh/force 0.792
           Step           Time
      225120000   450240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18875e+03    1.93195e+04    1.29466e+04    1.24622e+03   -2.87997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72699e+03    9.27988e+04    4.00021e+05   -2.33668e+04   -2.97496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66846e+04   -2.44527e+06    4.78484e+05   -1.96679e+06    2.38799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10209e+02   -2.06943e+02   -4.28303e+01    5.41318e-06


DD  step 225124999 load imb.: force 17.2%  pme mesh/force 0.745
           Step           Time
      225125000   450250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81151e+03    1.93994e+04    1.27810e+04    1.15802e+03   -3.04201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83038e+03    9.34352e+04    4.01511e+05   -2.33957e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63456e+04   -2.44629e+06    4.79778e+05   -1.96652e+06    2.38805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11048e+02   -2.07454e+02    1.06411e+02    5.49125e-06


DD  step 225129999 load imb.: force 16.0%  pme mesh/force 0.726
           Step           Time
      225130000   450260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07613e+03    1.93356e+04    1.30547e+04    1.19196e+03   -2.99251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81506e+03    9.28210e+04    3.99909e+05   -2.33682e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64478e+04   -2.44562e+06    4.80179e+05   -1.96544e+06    2.38810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.06967e+02   -3.69814e+01    5.25658e-06


DD  step 225134999 load imb.: force 17.1%  pme mesh/force 0.729
           Step           Time
      225135000   450270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00617e+03    1.97479e+04    1.29648e+04    1.09366e+03   -2.93626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89138e+03    9.24355e+04    4.01943e+05   -2.33391e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65666e+04   -2.44588e+06    4.79325e+05   -1.96655e+06    2.38817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.06454e+02    5.72952e+01    5.37096e-06


DD  step 225139999 load imb.: force 17.0%  pme mesh/force 0.746
           Step           Time
      225140000   450280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13194e+03    1.96278e+04    1.29053e+04    1.17736e+03   -2.88088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89589e+03    9.29241e+04    4.01531e+05   -2.34132e+04   -2.97939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64652e+04   -2.44803e+06    4.80776e+05   -1.96725e+06    2.38822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11696e+02   -2.07765e+02    5.22945e+01    5.28196e-06


DD  step 225144999 load imb.: force 18.7%  pme mesh/force 0.771
           Step           Time
      225145000   450290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96018e+03    1.93409e+04    1.33536e+04    1.16245e+03   -3.15182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84444e+03    9.24925e+04    4.01682e+05   -2.33940e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67377e+04   -2.44775e+06    4.79828e+05   -1.96792e+06    2.38828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11081e+02   -2.07425e+02    1.86334e+01    5.60675e-06


DD  step 225149999 load imb.: force 16.3%  pme mesh/force 0.751
           Step           Time
      225150000   450300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00262e+03    1.97990e+04    1.30924e+04    1.19355e+03   -3.09036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85753e+03    9.22771e+04    4.01624e+05   -2.33725e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63933e+04   -2.44578e+06    4.81819e+05   -1.96397e+06    2.38834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12372e+02   -2.07045e+02    8.86035e+01    5.41595e-06


DD  step 225154999 load imb.: force 16.0%  pme mesh/force 0.741
           Step           Time
      225155000   450310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94940e+03    1.92203e+04    1.28249e+04    1.18096e+03   -2.94383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88427e+03    9.26243e+04    3.99524e+05   -2.33771e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65223e+04   -2.44769e+06    4.79234e+05   -1.96845e+06    2.38839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10696e+02   -2.07126e+02   -3.62491e+00    5.51113e-06


DD  step 225159999 load imb.: force 16.4%  pme mesh/force 0.755
           Step           Time
      225160000   450320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89393e+03    1.95921e+04    1.31894e+04    1.26855e+03   -3.03086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92420e+03    9.28409e+04    4.02050e+05   -2.33523e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64950e+04   -2.44476e+06    4.79921e+05   -1.96484e+06    2.38845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11141e+02   -2.06687e+02    6.88573e+01    5.25182e-06


DD  step 225164999 load imb.: force 15.9%  pme mesh/force 0.743
           Step           Time
      225165000   450330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92111e+03    1.95118e+04    1.30240e+04    1.13483e+03   -2.99760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81191e+03    9.23576e+04    4.00053e+05   -2.33810e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65367e+04   -2.44768e+06    4.79464e+05   -1.96822e+06    2.38851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10845e+02   -2.07195e+02    2.55511e+01    5.25969e-06


DD  step 225169999 load imb.: force 16.2%  pme mesh/force 0.745
           Step           Time
      225170000   450340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81979e+03    1.92447e+04    1.32579e+04    1.15347e+03   -3.01625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94555e+03    9.26971e+04    4.02094e+05   -2.34250e+04   -2.98104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64691e+04   -2.44980e+06    4.77634e+05   -1.97217e+06    2.38857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09659e+02   -2.07974e+02    9.73198e+01    5.59819e-06


DD  step 225174999 load imb.: force 18.2%  pme mesh/force 0.752
           Step           Time
      225175000   450350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92264e+03    1.95593e+04    1.31580e+04    1.12978e+03   -2.89787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82572e+03    9.25889e+04    3.99030e+05   -2.33684e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63695e+04   -2.44623e+06    4.78590e+05   -1.96764e+06    2.38863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10278e+02   -2.06972e+02   -1.04091e+01    5.58899e-06


DD  step 225179999 load imb.: force 15.3%  pme mesh/force 0.730
           Step           Time
      225180000   450360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81434e+03    1.93279e+04    1.31728e+04    1.18240e+03   -2.97731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92659e+03    9.25363e+04    4.01994e+05   -2.33937e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64550e+04   -2.44683e+06    4.80149e+05   -1.96668e+06    2.38869e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11289e+02   -2.07419e+02    1.14640e+02    5.40169e-06


DD  step 225184999 load imb.: force 16.6%  pme mesh/force 0.749
           Step           Time
      225185000   450370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04087e+03    1.92698e+04    1.30275e+04    1.19227e+03   -2.94356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83323e+03    9.28968e+04    4.00159e+05   -2.34378e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65084e+04   -2.44681e+06    4.80481e+05   -1.96633e+06    2.38874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11504e+02   -2.08201e+02    4.96074e+01    5.58673e-06


DD  step 225189999 load imb.: force 16.0%  pme mesh/force 0.721
           Step           Time
      225190000   450380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32040e+03    1.93457e+04    1.31635e+04    1.24021e+03   -3.00086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84808e+03    9.22280e+04    3.99701e+05   -2.34058e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64030e+04   -2.44792e+06    4.80417e+05   -1.96750e+06    2.38881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11463e+02   -2.07634e+02   -8.22758e+00    5.32483e-06


DD  step 225194999 load imb.: force 15.6%  pme mesh/force 0.751
           Step           Time
      225195000   450390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02567e+03    1.93904e+04    1.32503e+04    1.17649e+03   -3.03645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75116e+03    9.19487e+04    4.00802e+05   -2.33716e+04   -2.97954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64205e+04   -2.45018e+06    4.77377e+05   -1.97280e+06    2.38886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09492e+02   -2.07029e+02   -5.06963e+01    5.65477e-06


DD  step 225199999 load imb.: force 18.2%  pme mesh/force 0.798
           Step           Time
      225200000   450400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25473e+03    1.94993e+04    1.29556e+04    1.13434e+03   -3.01494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65056e+03    9.25060e+04    3.98006e+05   -2.33698e+04   -2.97417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65551e+04   -2.44699e+06    4.80807e+05   -1.96618e+06    2.38892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11716e+02   -2.06996e+02   -8.75578e+01    5.38899e-06


DD  step 225204999 load imb.: force 17.2%  pme mesh/force 0.770
           Step           Time
      225205000   450410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06828e+03    1.93108e+04    1.30638e+04    1.25581e+03   -3.02241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82684e+03    9.28249e+04    4.02220e+05   -2.33854e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67039e+04   -2.44583e+06    4.79245e+05   -1.96659e+06    2.38898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.07272e+02    5.86849e+01    5.52670e-06


DD  step 225209999 load imb.: force 17.0%  pme mesh/force 0.734
           Step           Time
      225210000   450420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92026e+03    1.91545e+04    1.29301e+04    1.15563e+03   -3.00344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81052e+03    9.25557e+04    4.00397e+05   -2.34077e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65188e+04   -2.44875e+06    4.76726e+05   -1.97203e+06    2.38904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09070e+02   -2.07667e+02    8.40007e+00    5.41787e-06


DD  step 225214999 load imb.: force 16.1%  pme mesh/force 0.739
           Step           Time
      225215000   450430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90208e+03    1.96585e+04    1.31146e+04    1.18737e+03   -3.07307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75389e+03    9.25213e+04    4.01285e+05   -2.33918e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64900e+04   -2.44554e+06    4.78398e+05   -1.96715e+06    2.38909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10154e+02   -2.07385e+02    5.82757e+01    5.64133e-06


DD  step 225219999 load imb.: force 15.5%  pme mesh/force 0.738
           Step           Time
      225220000   450440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92206e+03    1.98753e+04    1.30328e+04    1.15589e+03   -2.92785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85020e+03    9.22765e+04    3.98993e+05   -2.33944e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65512e+04   -2.44611e+06    4.79831e+05   -1.96628e+06    2.38915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.07433e+02    7.79398e+00    5.41382e-06


DD  step 225224999 load imb.: force 16.2%  pme mesh/force 0.718
           Step           Time
      225225000   450450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12463e+03    1.97100e+04    1.30812e+04    1.16023e+03   -2.97065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88705e+03    9.26033e+04    4.00752e+05   -2.34424e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64399e+04   -2.44611e+06    4.81143e+05   -1.96497e+06    2.38921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11934e+02   -2.08283e+02    5.30284e+01    5.52582e-06


DD  step 225229999 load imb.: force 16.5%  pme mesh/force 0.748
           Step           Time
      225230000   450460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68027e+03    1.95254e+04    1.30316e+04    1.15450e+03   -2.90877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72979e+03    9.20719e+04    4.00283e+05   -2.33910e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64164e+04   -2.44772e+06    4.78684e+05   -1.96904e+06    2.38926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.07372e+02   -6.87338e+00    5.40873e-06


DD  step 225234999 load imb.: force 15.9%  pme mesh/force 0.758
           Step           Time
      225235000   450470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04813e+03    1.94506e+04    1.30491e+04    1.23864e+03   -3.03949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72448e+03    9.20447e+04    3.97780e+05   -2.33426e+04   -2.97059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65550e+04   -2.44408e+06    4.78574e+05   -1.96551e+06    2.38932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10268e+02   -2.06515e+02   -5.21615e+01    5.54690e-06


DD  step 225239999 load imb.: force 19.2%  pme mesh/force 0.771
           Step           Time
      225240000   450480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94457e+03    1.94322e+04    1.30426e+04    1.17802e+03   -2.97840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89331e+03    9.25985e+04    3.99764e+05   -2.33667e+04   -2.97341e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65797e+04   -2.44432e+06    4.79793e+05   -1.96453e+06    2.38939e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11058e+02   -2.06941e+02    3.31767e+01    5.54163e-06


DD  step 225244999 load imb.: force 16.7%  pme mesh/force 0.766
           Step           Time
      225245000   450490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94149e+03    1.91528e+04    1.29040e+04    1.12762e+03   -2.96934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83459e+03    9.27191e+04    4.01298e+05   -2.34040e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64685e+04   -2.44983e+06    4.79660e+05   -1.97017e+06    2.38944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10972e+02   -2.07602e+02    7.80028e+00    5.73060e-06


DD  step 225249999 load imb.: force 17.2%  pme mesh/force 0.740
           Step           Time
      225250000   450500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89612e+03    1.94587e+04    1.31280e+04    1.08532e+03   -3.03496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76669e+03    9.22982e+04    4.00852e+05   -2.33632e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65640e+04   -2.44852e+06    4.80183e+05   -1.96834e+06    2.38950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11311e+02   -2.06879e+02   -3.99370e+00    5.41718e-06


DD  step 225254999 load imb.: force 17.3%  pme mesh/force 0.780
           Step           Time
      225255000   450510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07417e+03    1.91899e+04    1.30956e+04    1.23100e+03   -3.08027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91788e+03    9.19384e+04    4.00310e+05   -2.33382e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63886e+04   -2.44733e+06    4.79694e+05   -1.96764e+06    2.38956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.06437e+02   -1.69341e+01    5.44960e-06


DD  step 225259999 load imb.: force 16.7%  pme mesh/force 0.736
           Step           Time
      225260000   450520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12671e+03    1.94614e+04    1.27752e+04    1.16248e+03   -2.93227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78076e+03    9.19121e+04    3.99393e+05   -2.33965e+04   -2.97465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65864e+04   -2.44678e+06    4.80091e+05   -1.96669e+06    2.38961e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11252e+02   -2.07468e+02   -1.40545e+01    5.50824e-06


DD  step 225264999 load imb.: force 14.2%  pme mesh/force 0.734
           Step           Time
      225265000   450530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03401e+03    1.91866e+04    1.31414e+04    1.23751e+03   -3.03265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81620e+03    9.24822e+04    3.99510e+05   -2.33772e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65096e+04   -2.44647e+06    4.81511e+05   -1.96496e+06    2.38967e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12172e+02   -2.07127e+02    2.33687e+00    5.47462e-06


DD  step 225269999 load imb.: force 16.8%  pme mesh/force 0.747
           Step           Time
      225270000   450540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30094e+03    1.93246e+04    1.30200e+04    1.18775e+03   -2.96657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87656e+03    9.23232e+04    3.99837e+05   -2.34102e+04   -2.97321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64592e+04   -2.44425e+06    4.79221e+05   -1.96503e+06    2.38973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.07711e+02    1.58508e-01    5.46739e-06


DD  step 225274999 load imb.: force 16.8%  pme mesh/force 0.765
           Step           Time
      225275000   450550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92420e+03    1.97551e+04    1.32500e+04    1.23199e+03   -2.90219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83947e+03    9.21746e+04    3.99906e+05   -2.33643e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64013e+04   -2.44790e+06    4.80323e+05   -1.96757e+06    2.38979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11402e+02   -2.06898e+02   -1.12126e+01    5.26808e-06


DD  step 225279999 load imb.: force 14.8%  pme mesh/force 0.723
           Step           Time
      225280000   450560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94599e+03    1.90015e+04    1.31555e+04    1.14416e+03   -2.96420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91309e+03    9.26318e+04    4.01847e+05   -2.34444e+04   -2.98078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63139e+04   -2.45024e+06    4.79102e+05   -1.97113e+06    2.38984e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10610e+02   -2.08319e+02    6.72977e+01    5.52799e-06


DD  step 225284999 load imb.: force 16.3%  pme mesh/force 0.737
           Step           Time
      225285000   450570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00032e+03    1.93612e+04    1.30048e+04    1.24831e+03   -3.04851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77446e+03    9.19332e+04    3.99225e+05   -2.34192e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63526e+04   -2.44859e+06    4.79064e+05   -1.96953e+06    2.38990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.07871e+02   -2.17337e+01    5.62722e-06


DD  step 225289999 load imb.: force 14.3%  pme mesh/force 0.700
           Step           Time
      225290000   450580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97353e+03    1.94611e+04    1.32388e+04    1.19091e+03   -3.03725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86242e+03    9.26806e+04    3.97164e+05   -2.33216e+04   -2.97310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65466e+04   -2.44634e+06    4.80790e+05   -1.96555e+06    2.38996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11705e+02   -2.06143e+02   -1.38361e+02    5.41554e-06


DD  step 225294999 load imb.: force 15.2%  pme mesh/force 0.739
           Step           Time
      225295000   450590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78709e+03    1.91389e+04    1.30635e+04    1.17421e+03   -2.99402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93484e+03    9.25856e+04    4.01058e+05   -2.33666e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63756e+04   -2.44690e+06    4.78959e+05   -1.96794e+06    2.39002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10518e+02   -2.06940e+02   -1.03693e+01    5.34420e-06


DD  step 225299999 load imb.: force 15.5%  pme mesh/force 0.717
           Step           Time
      225300000   450600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80891e+03    1.92825e+04    1.31969e+04    1.13800e+03   -2.91734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.03994e+03    9.29424e+04    3.97941e+05   -2.33419e+04   -2.97131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66528e+04   -2.44357e+06    4.79508e+05   -1.96406e+06    2.39008e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10874e+02   -2.06504e+02    7.46349e+00    5.56007e-06


DD  step 225304999 load imb.: force 16.1%  pme mesh/force 0.723
           Step           Time
      225305000   450610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13089e+03    1.94358e+04    1.29628e+04    1.17434e+03   -2.95392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78311e+03    9.27564e+04    3.98834e+05   -2.33790e+04   -2.97398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66362e+04   -2.44560e+06    4.78882e+05   -1.96671e+06    2.39014e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10468e+02   -2.07159e+02   -5.37057e+01    5.36726e-06


DD  step 225309999 load imb.: force 15.7%  pme mesh/force 0.720
           Step           Time
      225310000   450620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18340e+03    1.91974e+04    1.30188e+04    1.24368e+03   -3.05280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76575e+03    9.27632e+04    4.00965e+05   -2.33860e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65070e+04   -2.44810e+06    4.79378e+05   -1.96873e+06    2.39020e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.07283e+02    1.67542e+00    5.38675e-06


DD  step 225314999 load imb.: force 17.1%  pme mesh/force 0.732
           Step           Time
      225315000   450630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88687e+03    1.92513e+04    1.31071e+04    1.11962e+03   -3.01436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79865e+03    9.29170e+04    3.99639e+05   -2.33985e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62845e+04   -2.44839e+06    4.81192e+05   -1.96720e+06    2.39025e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11966e+02   -2.07504e+02   -6.78824e+01    5.42090e-06


DD  step 225319999 load imb.: force 15.8%  pme mesh/force 0.718
           Step           Time
      225320000   450640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94697e+03    1.93371e+04    1.28927e+04    1.17959e+03   -3.00766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87880e+03    9.23954e+04    4.00043e+05   -2.33804e+04   -2.97258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64986e+04   -2.44380e+06    4.80981e+05   -1.96282e+06    2.39031e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11829e+02   -2.07185e+02    6.05796e+01    5.38826e-06


DD  step 225324999 load imb.: force 15.5%  pme mesh/force 0.694
           Step           Time
      225325000   450650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30249e+03    1.93708e+04    1.29331e+04    1.19034e+03   -2.90426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81307e+03    9.24294e+04    4.02343e+05   -2.34139e+04   -2.98102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64607e+04   -2.44949e+06    4.77203e+05   -1.97229e+06    2.39037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09379e+02   -2.07778e+02    4.13837e+01    5.43961e-06


DD  step 225329999 load imb.: force 14.9%  pme mesh/force 0.724
           Step           Time
      225330000   450660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01357e+03    1.92608e+04    1.31433e+04    1.26393e+03   -2.98050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73907e+03    9.26269e+04    4.02201e+05   -2.33785e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64709e+04   -2.44538e+06    4.78499e+05   -1.96688e+06    2.39042e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10219e+02   -2.07151e+02    4.43473e+01    5.51851e-06


DD  step 225334999 load imb.: force 16.8%  pme mesh/force 0.734
           Step           Time
      225335000   450670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05620e+03    1.92161e+04    1.29895e+04    1.20312e+03   -2.97905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77606e+03    9.25512e+04    3.98777e+05   -2.33556e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64628e+04   -2.44773e+06    4.77522e+05   -1.97021e+06    2.39048e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09586e+02   -2.06745e+02   -7.92386e+01    5.14743e-06


DD  step 225339999 load imb.: force 17.1%  pme mesh/force 0.750
           Step           Time
      225340000   450680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23508e+03    1.94259e+04    1.32266e+04    1.16058e+03   -2.89532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82906e+03    9.22986e+04    4.01871e+05   -2.33572e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65738e+04   -2.44747e+06    4.81534e+05   -1.96594e+06    2.39054e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12187e+02   -2.06773e+02    1.84303e+00    5.44099e-06


DD  step 225344999 load imb.: force 18.3%  pme mesh/force 0.738
           Step           Time
      225345000   450690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08617e+03    1.91411e+04    1.30816e+04    1.16881e+03   -2.93349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76181e+03    9.28139e+04    3.97603e+05   -2.34105e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65411e+04   -2.44813e+06    4.78236e+05   -1.96989e+06    2.39060e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10049e+02   -2.07716e+02   -6.23110e+01    5.33297e-06


DD  step 225349999 load imb.: force 16.5%  pme mesh/force 0.738
           Step           Time
      225350000   450700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16093e+03    1.94123e+04    1.29529e+04    1.18455e+03   -2.99182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81663e+03    9.29550e+04    4.01798e+05   -2.33615e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63918e+04   -2.44845e+06    4.79743e+05   -1.96870e+06    2.39065e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11026e+02   -2.06850e+02   -1.33438e+01    5.18699e-06

Writing checkpoint, step 225353100 at Tue Nov  7 23:31:28 2023



DD  step 225354999 load imb.: force 17.3%  pme mesh/force 0.759
           Step           Time
      225355000   450710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78975e+03    1.92749e+04    1.29640e+04    1.17391e+03   -2.95832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95396e+03    9.26763e+04    4.01993e+05   -2.33724e+04   -2.98081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64313e+04   -2.44988e+06    4.78148e+05   -1.97173e+06    2.39071e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09992e+02   -2.07042e+02    2.02249e+01    5.50890e-06


DD  step 225359999 load imb.: force 17.0%  pme mesh/force 0.742
           Step           Time
      225360000   450720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89993e+03    1.91344e+04    1.31695e+04    1.10269e+03   -3.01215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81605e+03    9.26055e+04    3.99076e+05   -2.33687e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65238e+04   -2.45031e+06    4.77126e+05   -1.97318e+06    2.39077e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09330e+02   -2.06978e+02   -1.36832e+02    5.44170e-06


DD  step 225364999 load imb.: force 18.1%  pme mesh/force 0.723
           Step           Time
      225365000   450730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03894e+03    1.92762e+04    1.30922e+04    1.26299e+03   -2.98162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95273e+03    9.26446e+04    4.00834e+05   -2.34258e+04   -2.97799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64673e+04   -2.44783e+06    4.80916e+05   -1.96692e+06    2.39083e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11787e+02   -2.07988e+02    3.69924e+01    5.42818e-06


DD  step 225369999 load imb.: force 16.8%  pme mesh/force 0.758
           Step           Time
      225370000   450740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89409e+03    1.94384e+04    1.29374e+04    1.21210e+03   -2.93360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86658e+03    9.26499e+04    4.01088e+05   -2.33658e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64459e+04   -2.44707e+06    4.78784e+05   -1.96828e+06    2.39089e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10404e+02   -2.06926e+02   -2.16204e+01    5.45357e-06


DD  step 225374999 load imb.: force 15.7%  pme mesh/force 0.746
           Step           Time
      225375000   450750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95926e+03    1.94018e+04    1.29342e+04    1.10991e+03   -2.92107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77543e+03    9.29487e+04    4.00378e+05   -2.33941e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67175e+04   -2.44643e+06    4.79894e+05   -1.96653e+06    2.39094e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11124e+02   -2.07426e+02    1.85963e+01    5.37007e-06


DD  step 225379999 load imb.: force 15.4%  pme mesh/force 0.728
           Step           Time
      225380000   450760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09536e+03    1.92925e+04    1.28017e+04    1.18323e+03   -2.87344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83550e+03    9.19419e+04    4.01909e+05   -2.34095e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.60544e+04   -2.45068e+06    4.77209e+05   -1.97347e+06    2.39100e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09383e+02   -2.07699e+02    3.86880e+01    5.39540e-06


DD  step 225384999 load imb.: force 17.2%  pme mesh/force 0.744
           Step           Time
      225385000   450770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75824e+03    1.93280e+04    1.31925e+04    1.08569e+03   -2.94027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97264e+03    9.28795e+04    4.02293e+05   -2.34083e+04   -2.98142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64949e+04   -2.44976e+06    4.79340e+05   -1.97042e+06    2.39106e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10765e+02   -2.07679e+02    9.11984e+01    5.46635e-06


DD  step 225389999 load imb.: force 17.9%  pme mesh/force 0.776
           Step           Time
      225390000   450780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95333e+03    1.92789e+04    1.31766e+04    1.22933e+03   -3.00739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95646e+03    9.30315e+04    4.00736e+05   -2.34031e+04   -2.97501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63715e+04   -2.44468e+06    4.79462e+05   -1.96522e+06    2.39112e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.07586e+02    7.73094e+01    5.41520e-06


DD  step 225394999 load imb.: force 13.9%  pme mesh/force 0.717
           Step           Time
      225395000   450790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97562e+03    1.91472e+04    1.29543e+04    1.11694e+03   -2.88448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85437e+03    9.24944e+04    3.98959e+05   -2.33768e+04   -2.97435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64211e+04   -2.44669e+06    4.80568e+05   -1.96612e+06    2.39117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.07121e+02   -4.62610e+01    5.36989e-06


DD  step 225399999 load imb.: force 17.2%  pme mesh/force 0.738
           Step           Time
      225400000   450800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14654e+03    1.96563e+04    1.28499e+04    1.14612e+03   -3.00175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87915e+03    9.25721e+04    4.00379e+05   -2.33388e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64936e+04   -2.44501e+06    4.81063e+05   -1.96394e+06    2.39123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11882e+02   -2.06449e+02   -4.53500e+00    5.76013e-06


DD  step 225404999 load imb.: force 18.2%  pme mesh/force 0.726
           Step           Time
      225405000   450810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14456e+03    1.94718e+04    1.31600e+04    1.22592e+03   -2.92760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87924e+03    9.26250e+04    4.01507e+05   -2.33858e+04   -2.97840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63692e+04   -2.44733e+06    4.81604e+05   -1.96573e+06    2.39129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12233e+02   -2.07280e+02    4.89893e+00    5.45833e-06


DD  step 225409999 load imb.: force 16.9%  pme mesh/force 0.747
           Step           Time
      225410000   450820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75465e+03    1.93416e+04    1.30404e+04    1.24238e+03   -3.05449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84249e+03    9.26992e+04    4.00958e+05   -2.33862e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65051e+04   -2.44735e+06    4.79688e+05   -1.96766e+06    2.39134e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.07287e+02    1.65646e+01    5.47863e-06


DD  step 225414999 load imb.: force 16.9%  pme mesh/force 0.755
           Step           Time
      225415000   450830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10479e+03    1.98420e+04    1.30949e+04    1.12423e+03   -3.08031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88511e+03    9.23968e+04    3.98658e+05   -2.33608e+04   -2.97182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65677e+04   -2.44358e+06    4.80039e+05   -1.96354e+06    2.39141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.06837e+02   -1.36465e+01    5.20984e-06


DD  step 225419999 load imb.: force 16.6%  pme mesh/force 0.725
           Step           Time
      225420000   450840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79488e+03    1.96123e+04    1.29155e+04    1.11433e+03   -3.14513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85335e+03    9.23992e+04    4.04837e+05   -2.34332e+04   -2.98427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63547e+04   -2.45096e+06    4.79926e+05   -1.97104e+06    2.39146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11145e+02   -2.08119e+02    1.74097e+02    5.52990e-06


DD  step 225424999 load imb.: force 17.1%  pme mesh/force 0.757
           Step           Time
      225425000   450850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07706e+03    1.96503e+04    1.28332e+04    1.17125e+03   -3.04497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83243e+03    9.25321e+04    4.00610e+05   -2.33365e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65508e+04   -2.44768e+06    4.79986e+05   -1.96769e+06    2.39152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11183e+02   -2.06407e+02   -3.73678e+01    5.41617e-06


DD  step 225429999 load imb.: force 18.1%  pme mesh/force 0.767
           Step           Time
      225430000   450860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97174e+03    1.91585e+04    1.28822e+04    1.15977e+03   -2.93685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96472e+03    9.27251e+04    3.99534e+05   -2.33931e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63477e+04   -2.44906e+06    4.79486e+05   -1.96958e+06    2.39158e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.07409e+02   -7.93602e+00    5.41929e-06


DD  step 225434999 load imb.: force 17.9%  pme mesh/force 0.797
           Step           Time
      225435000   450870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89181e+03    1.94931e+04    1.33690e+04    1.13922e+03   -3.12438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86127e+03    9.21268e+04    4.01439e+05   -2.33680e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64503e+04   -2.44936e+06    4.81205e+05   -1.96815e+06    2.39163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11974e+02   -2.06965e+02    2.79542e+01    5.34464e-06


DD  step 225439999 load imb.: force 16.4%  pme mesh/force 0.734
           Step           Time
      225440000   450880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01690e+03    1.90019e+04    1.31314e+04    1.18623e+03   -2.98645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79335e+03    9.24544e+04    4.00000e+05   -2.33702e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64910e+04   -2.44713e+06    4.79329e+05   -1.96781e+06    2.39169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.07004e+02   -2.47821e+01    5.40400e-06


DD  step 225444999 load imb.: force 15.7%  pme mesh/force 0.730
           Step           Time
      225445000   450890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92806e+03    1.96009e+04    1.30768e+04    1.10826e+03   -2.92984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73804e+03    9.21831e+04    4.00245e+05   -2.33596e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65287e+04   -2.44660e+06    4.77948e+05   -1.96865e+06    2.39175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09862e+02   -2.06815e+02   -6.96819e+01    5.44330e-06


DD  step 225449999 load imb.: force 16.9%  pme mesh/force 0.752
           Step           Time
      225450000   450900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98255e+03    1.96801e+04    1.31313e+04    1.17781e+03   -3.02992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85891e+03    9.20611e+04    3.99648e+05   -2.33542e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65551e+04   -2.44831e+06    4.80762e+05   -1.96755e+06    2.39180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11687e+02   -2.06720e+02   -4.71530e+01    5.49412e-06


DD  step 225454999 load imb.: force 15.6%  pme mesh/force 0.735
           Step           Time
      225455000   450910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94617e+03    1.97405e+04    1.29371e+04    1.23604e+03   -3.00612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02132e+03    9.27327e+04    3.96607e+05   -2.33878e+04   -2.97174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64981e+04   -2.44541e+06    4.79666e+05   -1.96575e+06    2.39187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10976e+02   -2.07315e+02   -7.00140e+01    5.33622e-06


DD  step 225459999 load imb.: force 15.9%  pme mesh/force 0.719
           Step           Time
      225460000   450920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09975e+03    1.95829e+04    1.31709e+04    1.20588e+03   -3.08433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79128e+03    9.22721e+04    3.99430e+05   -2.33790e+04   -2.97448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63942e+04   -2.44599e+06    4.78601e+05   -1.96739e+06    2.39192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10286e+02   -2.07159e+02   -3.49938e+01    5.29009e-06


DD  step 225464999 load imb.: force 19.0%  pme mesh/force 0.774
           Step           Time
      225465000   450930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87299e+03    1.98602e+04    1.31160e+04    1.13559e+03   -3.07344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89756e+03    9.29223e+04    4.02370e+05   -2.33757e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67545e+04   -2.44561e+06    4.81457e+05   -1.96416e+06    2.39198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12137e+02   -2.07101e+02    8.02824e+01    5.57221e-06


DD  step 225469999 load imb.: force 17.4%  pme mesh/force 0.771
           Step           Time
      225470000   450940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97522e+03    1.91184e+04    1.29030e+04    1.22465e+03   -2.87663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74722e+03    9.23178e+04    4.01077e+05   -2.34042e+04   -2.98158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64418e+04   -2.45206e+06    4.79590e+05   -1.97247e+06    2.39203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10927e+02   -2.07605e+02    1.87286e+01    5.29896e-06


DD  step 225474999 load imb.: force 18.4%  pme mesh/force 0.740
           Step           Time
      225475000   450950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29029e+03    1.93147e+04    1.29646e+04    1.14284e+03   -2.94317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80181e+03    9.24574e+04    3.98717e+05   -2.33663e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63303e+04   -2.44794e+06    4.80177e+05   -1.96777e+06    2.39209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11307e+02   -2.06934e+02   -6.72645e+01    5.36022e-06


DD  step 225479999 load imb.: force 16.5%  pme mesh/force 0.698
           Step           Time
      225480000   450960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81254e+03    1.93846e+04    1.32827e+04    1.17662e+03   -3.09570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80703e+03    9.27904e+04    3.96982e+05   -2.34017e+04   -2.97274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64494e+04   -2.44656e+06    4.78786e+05   -1.96777e+06    2.39215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10406e+02   -2.07560e+02   -4.53857e+01    5.54834e-06


DD  step 225484999 load imb.: force 17.7%  pme mesh/force 0.751
           Step           Time
      225485000   450970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01191e+03    1.94750e+04    1.30625e+04    1.16736e+03   -3.02534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65892e+03    9.25298e+04    3.99131e+05   -2.33624e+04   -2.97240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66507e+04   -2.44410e+06    4.80283e+05   -1.96382e+06    2.39220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11376e+02   -2.06865e+02   -5.07235e+01    5.39583e-06


DD  step 225489999 load imb.: force 18.0%  pme mesh/force 0.738
           Step           Time
      225490000   450980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87545e+03    1.93354e+04    1.31484e+04    1.17698e+03   -2.92891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82881e+03    9.26764e+04    4.00552e+05   -2.34081e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63416e+04   -2.44824e+06    4.79302e+05   -1.96894e+06    2.39227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10740e+02   -2.07675e+02    5.18489e+00    5.41306e-06


DD  step 225494999 load imb.: force 17.3%  pme mesh/force 0.752
           Step           Time
      225495000   450990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18368e+03    1.91652e+04    1.30795e+04    1.24965e+03   -3.01263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95043e+03    9.25894e+04    4.00501e+05   -2.33647e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66950e+04   -2.44686e+06    4.79325e+05   -1.96753e+06    2.39232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.06906e+02   -2.56683e-01    5.54851e-06


DD  step 225499999 load imb.: force 16.5%  pme mesh/force 0.732
           Step           Time
      225500000   451000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13360e+03    1.91209e+04    1.30681e+04    1.20986e+03   -3.01277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85162e+03    9.25363e+04    3.98276e+05   -2.33680e+04   -2.97188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64625e+04   -2.44460e+06    4.79219e+05   -1.96538e+06    2.39237e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10686e+02   -2.06965e+02   -3.38866e+01    5.41004e-06


DD  step 225504999 load imb.: force 16.1%  pme mesh/force 0.745
           Step           Time
      225505000   451010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84523e+03    1.97653e+04    1.31096e+04    1.18831e+03   -2.96756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90448e+03    9.29560e+04    3.98640e+05   -2.33692e+04   -2.97544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62400e+04   -2.44713e+06    4.82045e+05   -1.96509e+06    2.39243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12518e+02   -2.06986e+02   -4.67414e+01    5.22463e-06


DD  step 225509999 load imb.: force 15.7%  pme mesh/force 0.708
           Step           Time
      225510000   451020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11297e+03    1.95772e+04    1.29932e+04    1.12815e+03   -3.00695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79690e+03    9.19456e+04    4.01407e+05   -2.33927e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64133e+04   -2.44761e+06    4.80626e+05   -1.96699e+06    2.39249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11598e+02   -2.07401e+02    4.04540e+01    5.42863e-06


DD  step 225514999 load imb.: force 18.4%  pme mesh/force 0.736
           Step           Time
      225515000   451030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14965e+03    1.94281e+04    1.31091e+04    1.19031e+03   -3.03497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84523e+03    9.27425e+04    3.97784e+05   -2.33604e+04   -2.97155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63412e+04   -2.44435e+06    4.79051e+05   -1.96530e+06    2.39255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.06830e+02   -6.70947e+01    5.26477e-06


DD  step 225519999 load imb.: force 18.3%  pme mesh/force 0.788
           Step           Time
      225520000   451040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88084e+03    1.93436e+04    1.30013e+04    1.22666e+03   -2.93725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86296e+03    9.31577e+04    3.98325e+05   -2.33567e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63312e+04   -2.44714e+06    4.79516e+05   -1.96762e+06    2.39261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.06764e+02   -4.71346e+01    5.43828e-06


DD  step 225524999 load imb.: force 17.7%  pme mesh/force 0.782
           Step           Time
      225525000   451050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99213e+03    1.97330e+04    1.30918e+04    1.13095e+03   -3.07196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96039e+03    9.31737e+04    3.98967e+05   -2.33930e+04   -2.97414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66922e+04   -2.44486e+06    4.80485e+05   -1.96438e+06    2.39266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11507e+02   -2.07407e+02    3.91196e+01    5.30433e-06


DD  step 225529999 load imb.: force 19.3%  pme mesh/force 0.790
           Step           Time
      225530000   451060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15494e+03    1.95280e+04    1.30477e+04    1.17366e+03   -3.05638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73012e+03    9.22973e+04    3.97117e+05   -2.33742e+04   -2.97172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66396e+04   -2.44546e+06    4.79696e+05   -1.96576e+06    2.39272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.07074e+02   -1.11563e+02    5.33912e-06


DD  step 225534999 load imb.: force 18.5%  pme mesh/force 0.754
           Step           Time
      225535000   451070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00278e+03    1.93239e+04    1.31567e+04    1.19101e+03   -2.98192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76658e+03    9.31119e+04    3.96886e+05   -2.33531e+04   -2.97222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66654e+04   -2.44545e+06    4.78544e+05   -1.96691e+06    2.39278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.06700e+02   -9.19159e+01    5.48958e-06


DD  step 225539999 load imb.: force 18.9%  pme mesh/force 0.775
           Step           Time
      225540000   451080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93078e+03    1.93658e+04    1.31043e+04    1.16853e+03   -3.01208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90275e+03    9.24121e+04    3.99085e+05   -2.34039e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63094e+04   -2.44822e+06    4.81452e+05   -1.96676e+06    2.39283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12134e+02   -2.07601e+02   -2.12302e+01    5.28466e-06


DD  step 225544999 load imb.: force 18.0%  pme mesh/force 0.749
           Step           Time
      225545000   451090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19325e+03    1.92103e+04    1.33548e+04    1.14116e+03   -3.09297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72289e+03    9.28676e+04    4.05673e+05   -2.33969e+04   -2.98604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65160e+04   -2.45085e+06    4.79278e+05   -1.97157e+06    2.39289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10724e+02   -2.07476e+02    4.82207e+01    5.46367e-06


DD  step 225549999 load imb.: force 18.4%  pme mesh/force 0.767
           Step           Time
      225550000   451100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.44656e+03    1.97589e+04    1.30870e+04    1.23200e+03   -2.95237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72211e+03    9.27984e+04    3.99843e+05   -2.33679e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65907e+04   -2.44422e+06    4.80568e+05   -1.96365e+06    2.39295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.06964e+02   -4.38427e+01    5.54712e-06


DD  step 225554999 load imb.: force 17.6%  pme mesh/force 0.758
           Step           Time
      225555000   451110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12112e+03    1.95723e+04    1.30185e+04    1.20036e+03   -3.03893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75139e+03    9.31796e+04    4.01606e+05   -2.33764e+04   -2.98005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64403e+04   -2.44857e+06    4.80070e+05   -1.96850e+06    2.39301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11238e+02   -2.07114e+02   -1.71562e+01    5.46971e-06


DD  step 225559999 load imb.: force 17.9%  pme mesh/force 0.781
           Step           Time
      225560000   451120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02210e+03    1.94398e+04    1.30360e+04    1.26184e+03   -2.86257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99767e+03    9.26326e+04    4.01224e+05   -2.34266e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64110e+04   -2.44986e+06    4.79968e+05   -1.96989e+06    2.39307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11172e+02   -2.08003e+02    4.80580e+01    5.25030e-06


DD  step 225564999 load imb.: force 17.2%  pme mesh/force 0.765
           Step           Time
      225565000   451130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16433e+03    1.92206e+04    1.30583e+04    1.22233e+03   -2.95200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91437e+03    9.29267e+04    4.00738e+05   -2.33792e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67389e+04   -2.44432e+06    4.78923e+05   -1.96539e+06    2.39312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10495e+02   -2.07163e+02    6.11684e+01    5.53627e-06


DD  step 225569999 load imb.: force 16.9%  pme mesh/force 0.749
           Step           Time
      225570000   451140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98262e+03    1.89678e+04    1.30888e+04    1.14250e+03   -2.94180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83826e+03    9.30341e+04    4.03337e+05   -2.34075e+04   -2.98209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64125e+04   -2.44964e+06    4.78829e+05   -1.97081e+06    2.39318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10433e+02   -2.07664e+02    6.63796e+01    5.48920e-06


DD  step 225574999 load imb.: force 18.1%  pme mesh/force 0.755
           Step           Time
      225575000   451150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84010e+03    1.92081e+04    1.29457e+04    1.22441e+03   -2.90240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72649e+03    9.22422e+04    4.00183e+05   -2.33847e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66125e+04   -2.44954e+06    4.78203e+05   -1.97134e+06    2.39323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10027e+02   -2.07261e+02   -7.12290e+01    5.37287e-06


DD  step 225579999 load imb.: force 15.9%  pme mesh/force 0.726
           Step           Time
      225580000   451160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05086e+03    1.90515e+04    1.31309e+04    1.17661e+03   -2.93023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78963e+03    9.26924e+04    4.02387e+05   -2.34352e+04   -2.98227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62854e+04   -2.45107e+06    4.77805e+05   -1.97327e+06    2.39329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09770e+02   -2.08154e+02   -5.20306e+00    5.45196e-06


DD  step 225584999 load imb.: force 17.5%  pme mesh/force 0.727
           Step           Time
      225585000   451170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14808e+03    1.94147e+04    1.30984e+04    1.21581e+03   -3.02242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76644e+03    9.24863e+04    4.01510e+05   -2.33367e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68055e+04   -2.44461e+06    4.78751e+05   -1.96586e+06    2.39335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.06410e+02    2.93817e+01    5.46686e-06


DD  step 225589999 load imb.: force 18.5%  pme mesh/force 0.781
           Step           Time
      225590000   451180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99583e+03    1.94098e+04    1.31147e+04    1.15315e+03   -3.02548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77156e+03    9.23891e+04    4.00333e+05   -2.34522e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66971e+04   -2.44718e+06    4.80131e+05   -1.96705e+06    2.39340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.08457e+02    6.03013e+01    5.50586e-06


DD  step 225594999 load imb.: force 17.4%  pme mesh/force 0.759
           Step           Time
      225595000   451190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17407e+03    1.91161e+04    1.32415e+04    1.22200e+03   -2.93084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72091e+03    9.28350e+04    4.02284e+05   -2.33830e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64058e+04   -2.44710e+06    4.80363e+05   -1.96674e+06    2.39346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.07230e+02    6.62170e+01    5.46233e-06


DD  step 225599999 load imb.: force 16.0%  pme mesh/force 0.716
           Step           Time
      225600000   451200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12080e+03    1.97958e+04    1.29634e+04    1.15245e+03   -3.00532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93520e+03    9.24730e+04    4.00071e+05   -2.33967e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66738e+04   -2.44366e+06    4.79782e+05   -1.96388e+06    2.39352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11051e+02   -2.07472e+02    5.80488e+01    5.73067e-06


DD  step 225604999 load imb.: force 20.9%  pme mesh/force 0.766
           Step           Time
      225605000   451210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03793e+03    1.91107e+04    1.30781e+04    1.13477e+03   -2.99308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90362e+03    9.31272e+04    4.02636e+05   -2.34099e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66406e+04   -2.44612e+06    4.80505e+05   -1.96561e+06    2.39358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.07707e+02    1.09972e+02    5.56965e-06


DD  step 225609999 load imb.: force 17.5%  pme mesh/force 0.773
           Step           Time
      225610000   451220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95755e+03    1.93252e+04    1.32268e+04    1.24926e+03   -3.04692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81513e+03    9.32771e+04    4.00813e+05   -2.34220e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64312e+04   -2.44620e+06    4.78290e+05   -1.96791e+06    2.39364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10084e+02   -2.07921e+02    6.02339e+01    5.33884e-06


DD  step 225614999 load imb.: force 17.7%  pme mesh/force 0.747
           Step           Time
      225615000   451230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08746e+03    1.93659e+04    1.32784e+04    1.10279e+03   -3.07117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96017e+03    9.31106e+04    4.03589e+05   -2.34015e+04   -2.98137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66042e+04   -2.44775e+06    4.79505e+05   -1.96824e+06    2.39370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10872e+02   -2.07558e+02    9.92570e+01    5.50880e-06


DD  step 225619999 load imb.: force 16.3%  pme mesh/force 0.740
           Step           Time
      225620000   451240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14265e+03    1.95427e+04    1.29412e+04    1.20624e+03   -3.03701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90516e+03    9.26831e+04    4.00861e+05   -2.33925e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63659e+04   -2.44528e+06    4.80812e+05   -1.96447e+06    2.39375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11719e+02   -2.07399e+02    5.82417e+01    5.48577e-06


DD  step 225624999 load imb.: force 18.0%  pme mesh/force 0.767
           Step           Time
      225625000   451250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12693e+03    1.92430e+04    1.32821e+04    1.19801e+03   -2.98939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72091e+03    9.29526e+04    4.01339e+05   -2.34010e+04   -2.98125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65863e+04   -2.45020e+06    4.81411e+05   -1.96878e+06    2.39381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12107e+02   -2.07549e+02   -7.15215e+01    5.51499e-06


DD  step 225629999 load imb.: force 16.2%  pme mesh/force 0.746
           Step           Time
      225630000   451260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88338e+03    1.93561e+04    1.32291e+04    1.27417e+03   -2.94070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74669e+03    9.30960e+04    4.01385e+05   -2.33951e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63803e+04   -2.44776e+06    4.79426e+05   -1.96834e+06    2.39387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.07444e+02    4.85931e+01    5.41374e-06


DD  step 225634999 load imb.: force 17.7%  pme mesh/force 0.787
           Step           Time
      225635000   451270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08519e+03    1.94878e+04    1.31131e+04    1.14546e+03   -3.00045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78116e+03    9.34336e+04    4.02663e+05   -2.33564e+04   -2.98025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66123e+04   -2.44728e+06    4.78735e+05   -1.96855e+06    2.39393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.06759e+02    5.47048e+01    5.50810e-06


DD  step 225639999 load imb.: force 19.0%  pme mesh/force 0.789
           Step           Time
      225640000   451280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94626e+03    1.92825e+04    1.29908e+04    1.16527e+03   -2.89848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83771e+03    9.33650e+04    4.02773e+05   -2.33978e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64748e+04   -2.44615e+06    4.78069e+05   -1.96808e+06    2.39398e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09941e+02   -2.07492e+02    7.68157e+01    5.39640e-06


DD  step 225644999 load imb.: force 19.1%  pme mesh/force 0.788
           Step           Time
      225645000   451290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95493e+03    1.93767e+04    1.31165e+04    1.23640e+03   -2.97403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81095e+03    9.28934e+04    3.96470e+05   -2.33864e+04   -2.97217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66178e+04   -2.44606e+06    4.81261e+05   -1.96480e+06    2.39404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12010e+02   -2.07290e+02   -4.56652e+01    5.56740e-06


DD  step 225649999 load imb.: force 17.8%  pme mesh/force 0.743
           Step           Time
      225650000   451300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13745e+03    1.90617e+04    1.30936e+04    1.19973e+03   -2.99145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89228e+03    9.33069e+04    3.98330e+05   -2.33761e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65790e+04   -2.44590e+06    4.80267e+05   -1.96563e+06    2.39410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11366e+02   -2.07108e+02   -2.57462e+01    5.48566e-06


DD  step 225654999 load imb.: force 17.5%  pme mesh/force 0.745
           Step           Time
      225655000   451310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02967e+03    1.94518e+04    1.29921e+04    1.13334e+03   -3.17219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01066e+03    9.29815e+04    4.04791e+05   -2.33860e+04   -2.98299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64922e+04   -2.44866e+06    4.78996e+05   -1.96967e+06    2.39415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10541e+02   -2.07283e+02    1.49295e+02    5.34369e-06


DD  step 225659999 load imb.: force 18.8%  pme mesh/force 0.782
           Step           Time
      225660000   451320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88566e+03    1.91878e+04    1.31848e+04    1.23735e+03   -3.04760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92216e+03    9.32091e+04    4.02176e+05   -2.33919e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65578e+04   -2.44720e+06    4.78684e+05   -1.96852e+06    2.39421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10339e+02   -2.07388e+02    8.94092e+01    5.44346e-06


DD  step 225664999 load imb.: force 17.1%  pme mesh/force 0.756
           Step           Time
      225665000   451330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93966e+03    1.93660e+04    1.30517e+04    1.13985e+03   -3.08901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84211e+03    9.33300e+04    4.02141e+05   -2.34351e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64760e+04   -2.44750e+06    4.80026e+05   -1.96747e+06    2.39427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.08153e+02    8.42191e+01    5.45902e-06


DD  step 225669999 load imb.: force 18.3%  pme mesh/force 0.767
           Step           Time
      225670000   451340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84644e+03    1.88724e+04    1.29920e+04    1.17020e+03   -3.06582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84628e+03    9.32821e+04    3.98128e+05   -2.33969e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62706e+04   -2.44875e+06    4.77639e+05   -1.97111e+06    2.39432e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09662e+02   -2.07475e+02   -2.53051e+01    5.50810e-06


DD  step 225674999 load imb.: force 19.1%  pme mesh/force 0.767
           Step           Time
      225675000   451350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16199e+03    1.91077e+04    1.31330e+04    1.18533e+03   -3.03675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78773e+03    9.32429e+04    4.04674e+05   -2.33402e+04   -2.98115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65370e+04   -2.44670e+06    4.80108e+05   -1.96659e+06    2.39438e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.06473e+02    6.52389e+01    5.57227e-06

Writing checkpoint, step 225679750 at Tue Nov  7 23:46:28 2023



DD  step 225679999 load imb.: force 18.3%  pme mesh/force 0.768
           Step           Time
      225680000   451360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01569e+03    1.94878e+04    1.30027e+04    1.22367e+03   -2.93452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83400e+03    9.30464e+04    4.01952e+05   -2.33929e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64451e+04   -2.44818e+06    4.80914e+05   -1.96726e+06    2.39444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11785e+02   -2.07406e+02    6.78851e+01    5.57941e-06


DD  step 225684999 load imb.: force 19.1%  pme mesh/force 0.758
           Step           Time
      225685000   451370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98616e+03    1.96848e+04    1.29256e+04    1.13534e+03   -2.90252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81847e+03    9.24582e+04    4.01210e+05   -2.33854e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63803e+04   -2.44868e+06    4.78997e+05   -1.96969e+06    2.39450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10542e+02   -2.07273e+02   -9.80707e+00    5.59047e-06


DD  step 225689999 load imb.: force 18.0%  pme mesh/force 0.770
           Step           Time
      225690000   451380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88632e+03    1.93022e+04    1.30521e+04    1.11885e+03   -2.95164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76387e+03    9.25004e+04    4.00579e+05   -2.34255e+04   -2.98027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64414e+04   -2.45100e+06    4.78627e+05   -1.97237e+06    2.39455e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10302e+02   -2.07984e+02   -3.50445e+01    5.51296e-06


DD  step 225694999 load imb.: force 18.4%  pme mesh/force 0.787
           Step           Time
      225695000   451390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84717e+03    1.94410e+04    1.30432e+04    1.14349e+03   -2.98846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89557e+03    9.31089e+04    4.01512e+05   -2.34235e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65845e+04   -2.44673e+06    4.79148e+05   -1.96758e+06    2.39461e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10640e+02   -2.07948e+02    1.07293e+02    5.50294e-06


DD  step 225699999 load imb.: force 17.5%  pme mesh/force 0.771
           Step           Time
      225700000   451400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15384e+03    1.93520e+04    1.30096e+04    1.21749e+03   -2.97760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83626e+03    9.31239e+04    4.00102e+05   -2.33748e+04   -2.97512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66293e+04   -2.44505e+06    4.79683e+05   -1.96537e+06    2.39467e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.07085e+02    1.64878e+01    5.33534e-06


DD  step 225704999 load imb.: force 15.9%  pme mesh/force 0.758
           Step           Time
      225705000   451410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18247e+03    1.93145e+04    1.31875e+04    1.18233e+03   -3.01783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75419e+03    9.28084e+04    3.99665e+05   -2.33846e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61768e+04   -2.44598e+06    4.79291e+05   -1.96668e+06    2.39472e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10733e+02   -2.07259e+02   -6.26892e+01    5.76840e-06


DD  step 225709999 load imb.: force 16.1%  pme mesh/force 0.756
           Step           Time
      225710000   451420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19071e+03    1.96202e+04    1.30113e+04    1.23761e+03   -2.99406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83860e+03    9.35411e+04    4.01242e+05   -2.33721e+04   -2.97903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64396e+04   -2.44728e+06    4.79791e+05   -1.96748e+06    2.39479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.07037e+02   -1.78723e+00    5.63861e-06


DD  step 225714999 load imb.: force 17.8%  pme mesh/force 0.734
           Step           Time
      225715000   451430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11515e+03    1.92945e+04    1.29786e+04    1.15536e+03   -2.88712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81526e+03    9.23940e+04    3.98710e+05   -2.33977e+04   -2.97664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64987e+04   -2.44897e+06    4.78682e+05   -1.97028e+06    2.39485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.07491e+02   -6.33063e+01    5.67618e-06


DD  step 225719999 load imb.: force 18.4%  pme mesh/force 0.759
           Step           Time
      225720000   451440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21810e+03    1.97037e+04    1.31369e+04    1.17619e+03   -2.93599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76990e+03    9.28675e+04    4.00477e+05   -2.34163e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64592e+04   -2.44696e+06    4.81188e+05   -1.96577e+06    2.39490e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11963e+02   -2.07819e+02    3.71405e+01    5.55122e-06


DD  step 225724999 load imb.: force 15.6%  pme mesh/force 0.701
           Step           Time
      225725000   451450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67497e+03    1.95226e+04    1.30907e+04    1.04915e+03   -2.87332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97375e+03    9.29612e+04    4.01441e+05   -2.33791e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64636e+04   -2.44531e+06    4.80222e+05   -1.96509e+06    2.39496e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.07161e+02    7.54189e+01    5.55990e-06


DD  step 225729999 load imb.: force 15.4%  pme mesh/force 0.725
           Step           Time
      225730000   451460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04270e+03    1.96786e+04    1.28574e+04    1.18036e+03   -3.01326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83775e+03    9.28008e+04    4.03849e+05   -2.34084e+04   -2.98046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65137e+04   -2.44713e+06    4.80916e+05   -1.96621e+06    2.39502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11787e+02   -2.07680e+02    1.34659e+02    5.56298e-06


DD  step 225734999 load imb.: force 17.4%  pme mesh/force 0.759
           Step           Time
      225735000   451470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90880e+03    1.95863e+04    1.30348e+04    1.15313e+03   -2.90181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92925e+03    9.19587e+04    3.98489e+05   -2.34192e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63281e+04   -2.44802e+06    4.80302e+05   -1.96772e+06    2.39507e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11388e+02   -2.07871e+02    2.07323e+01    5.58429e-06


DD  step 225739999 load imb.: force 17.7%  pme mesh/force 0.728
           Step           Time
      225740000   451480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66211e+03    1.90945e+04    1.29316e+04    1.17154e+03   -2.93088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93689e+03    9.29136e+04    3.98469e+05   -2.33275e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64109e+04   -2.44793e+06    4.77021e+05   -1.97091e+06    2.39513e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09261e+02   -2.06248e+02   -7.54624e+01    5.42749e-06


DD  step 225744999 load imb.: force 17.8%  pme mesh/force 0.761
           Step           Time
      225745000   451490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04402e+03    1.91462e+04    1.30791e+04    1.19864e+03   -2.95275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91394e+03    9.22509e+04    3.98145e+05   -2.33503e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64983e+04   -2.44963e+06    4.80435e+05   -1.96919e+06    2.39519e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11475e+02   -2.06652e+02   -1.06742e+02    5.62995e-06


DD  step 225749999 load imb.: force 17.7%  pme mesh/force 0.770
           Step           Time
      225750000   451500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97601e+03    1.95194e+04    1.29873e+04    1.12561e+03   -2.99649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95061e+03    9.26908e+04    4.01504e+05   -2.34111e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66195e+04   -2.44836e+06    4.79454e+05   -1.96890e+06    2.39525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10838e+02   -2.07727e+02    3.12768e+01    5.38793e-06


DD  step 225754999 load imb.: force 18.0%  pme mesh/force 0.755
           Step           Time
      225755000   451510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11853e+03    1.88853e+04    1.31246e+04    1.28623e+03   -2.98414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85100e+03    9.28762e+04    4.02409e+05   -2.34025e+04   -2.98087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64120e+04   -2.44929e+06    4.80224e+05   -1.96907e+06    2.39531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11338e+02   -2.07575e+02    9.55665e+01    5.62740e-06


DD  step 225759999 load imb.: force 17.0%  pme mesh/force 0.726
           Step           Time
      225760000   451520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85427e+03    1.96414e+04    1.31517e+04    1.22424e+03   -2.98116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86703e+03    9.23800e+04    4.00334e+05   -2.34030e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65413e+04   -2.44834e+06    4.77723e+05   -1.97062e+06    2.39537e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09717e+02   -2.07585e+02    1.81858e+01    5.36718e-06


DD  step 225764999 load imb.: force 17.1%  pme mesh/force 0.743
           Step           Time
      225765000   451530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93481e+03    1.97413e+04    1.29357e+04    1.21518e+03   -2.94695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92773e+03    9.23296e+04    4.00759e+05   -2.34024e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64642e+04   -2.44726e+06    4.79597e+05   -1.96767e+06    2.39542e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07573e+02    7.46509e+00    5.47990e-06


DD  step 225769999 load imb.: force 15.9%  pme mesh/force 0.721
           Step           Time
      225770000   451540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77305e+03    1.92417e+04    1.32522e+04    1.10721e+03   -2.97963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78098e+03    9.24129e+04    4.00272e+05   -2.33793e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65998e+04   -2.44639e+06    4.78274e+05   -1.96812e+06    2.39548e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10074e+02   -2.07164e+02    1.40073e+00    5.43640e-06


DD  step 225774999 load imb.: force 17.6%  pme mesh/force 0.762
           Step           Time
      225775000   451550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86862e+03    1.97036e+04    1.29900e+04    1.20431e+03   -2.96643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93359e+03    9.21114e+04    4.01100e+05   -2.34019e+04   -2.97495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65032e+04   -2.44490e+06    4.78463e+05   -1.96644e+06    2.39554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10196e+02   -2.07565e+02    3.55614e+01    5.48434e-06


DD  step 225779999 load imb.: force 19.2%  pme mesh/force 0.766
           Step           Time
      225780000   451560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10902e+03    1.89147e+04    1.28945e+04    1.14186e+03   -3.04159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77418e+03    9.34878e+04    3.99546e+05   -2.34106e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64157e+04   -2.44671e+06    4.77342e+05   -1.96937e+06    2.39559e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09469e+02   -2.07719e+02    1.62477e+01    5.44074e-06


DD  step 225784999 load imb.: force 17.9%  pme mesh/force 0.740
           Step           Time
      225785000   451570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01015e+03    1.92867e+04    1.31119e+04    1.10083e+03   -2.94719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89752e+03    9.31566e+04    4.01802e+05   -2.33710e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64652e+04   -2.44766e+06    4.79345e+05   -1.96832e+06    2.39565e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10768e+02   -2.07018e+02    6.60778e+01    5.55109e-06


DD  step 225789999 load imb.: force 19.0%  pme mesh/force 0.786
           Step           Time
      225790000   451580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73679e+03    1.92231e+04    1.30439e+04    1.21272e+03   -2.95866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74043e+03    9.25048e+04    4.01668e+05   -2.33722e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63393e+04   -2.44732e+06    4.77091e+05   -1.97023e+06    2.39571e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09307e+02   -2.07038e+02    8.13641e+00    5.48941e-06


DD  step 225794999 load imb.: force 20.3%  pme mesh/force 0.774
           Step           Time
      225795000   451590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80312e+03    1.94562e+04    1.31351e+04    1.15365e+03   -2.98840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86350e+03    9.37507e+04    4.00515e+05   -2.34359e+04   -2.97915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63290e+04   -2.44856e+06    4.79884e+05   -1.96868e+06    2.39577e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.08168e+02    2.62058e+01    5.70319e-06


DD  step 225799999 load imb.: force 19.5%  pme mesh/force 0.760
           Step           Time
      225800000   451600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18475e+03    1.93264e+04    1.29872e+04    1.16460e+03   -2.87461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67455e+03    9.27000e+04    4.00316e+05   -2.33776e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63866e+04   -2.44775e+06    4.81433e+05   -1.96632e+06    2.39583e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12122e+02   -2.07134e+02   -1.88930e+01    5.67513e-06


DD  step 225804999 load imb.: force 16.4%  pme mesh/force 0.752
           Step           Time
      225805000   451610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76438e+03    1.91918e+04    1.29302e+04    1.22726e+03   -2.98692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94901e+03    9.31356e+04    3.99445e+05   -2.34198e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64576e+04   -2.44893e+06    4.79190e+05   -1.96974e+06    2.39589e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.07881e+02    3.59959e+00    5.53028e-06


DD  step 225809999 load imb.: force 16.8%  pme mesh/force 0.761
           Step           Time
      225810000   451620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07243e+03    1.94187e+04    1.30344e+04    1.17221e+03   -3.04693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89620e+03    9.33988e+04    4.01207e+05   -2.33758e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64585e+04   -2.44538e+06    4.79894e+05   -1.96549e+06    2.39594e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11124e+02   -2.07103e+02    2.56063e+01    5.54101e-06


DD  step 225814999 load imb.: force 17.1%  pme mesh/force 0.728
           Step           Time
      225815000   451630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89389e+03    1.92896e+04    1.30851e+04    1.19531e+03   -2.89225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84700e+03    9.28242e+04    4.01496e+05   -2.33980e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64158e+04   -2.44865e+06    4.78690e+05   -1.96996e+06    2.39600e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10343e+02   -2.07496e+02    5.97583e+01    5.58869e-06


DD  step 225819999 load imb.: force 15.6%  pme mesh/force 0.721
           Step           Time
      225820000   451640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97739e+03    1.91615e+04    1.29936e+04    1.15546e+03   -3.00104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91996e+03    9.31646e+04    3.98975e+05   -2.33654e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64659e+04   -2.44781e+06    4.78622e+05   -1.96919e+06    2.39606e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10299e+02   -2.06919e+02    5.40375e-01    5.53452e-06


DD  step 225824999 load imb.: force 18.2%  pme mesh/force 0.745
           Step           Time
      225825000   451650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25099e+03    1.92291e+04    1.30032e+04    1.15653e+03   -3.05337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69317e+03    9.26132e+04    3.99719e+05   -2.33861e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63757e+04   -2.44654e+06    4.78789e+05   -1.96776e+06    2.39612e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10408e+02   -2.07284e+02   -2.09454e+01    5.56132e-06


DD  step 225829999 load imb.: force 19.3%  pme mesh/force 0.762
           Step           Time
      225830000   451660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06099e+03    1.93999e+04    1.32183e+04    1.29203e+03   -3.04634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79520e+03    9.28792e+04    4.02817e+05   -2.34241e+04   -2.98290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66099e+04   -2.45030e+06    4.80313e+05   -1.96998e+06    2.39618e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11395e+02   -2.07958e+02    5.80778e+01    5.60333e-06


DD  step 225834999 load imb.: force 16.4%  pme mesh/force 0.757
           Step           Time
      225835000   451670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79799e+03    1.95015e+04    1.29729e+04    1.17191e+03   -3.03957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97216e+03    9.33076e+04    4.00300e+05   -2.33877e+04   -2.97564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64277e+04   -2.44562e+06    4.78684e+05   -1.96693e+06    2.39624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10339e+02   -2.07314e+02    4.25749e+01    5.54512e-06


DD  step 225839999 load imb.: force 17.6%  pme mesh/force 0.735
           Step           Time
      225840000   451680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98557e+03    1.95679e+04    1.31047e+04    1.22171e+03   -2.98250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78321e+03    9.31986e+04    3.98127e+05   -2.33792e+04   -2.97398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65604e+04   -2.44579e+06    4.80548e+05   -1.96524e+06    2.39629e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11548e+02   -2.07163e+02   -8.56071e+01    5.54534e-06


DD  step 225844999 load imb.: force 17.7%  pme mesh/force 0.736
           Step           Time
      225845000   451690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05517e+03    1.95926e+04    1.30133e+04    1.22193e+03   -2.99006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89437e+03    9.32580e+04    3.96701e+05   -2.34057e+04   -2.97097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65146e+04   -2.44411e+06    4.81528e+05   -1.96258e+06    2.39635e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.07632e+02   -2.73804e+01    5.64034e-06


DD  step 225849999 load imb.: force 19.8%  pme mesh/force 0.749
           Step           Time
      225850000   451700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18603e+03    1.92534e+04    1.29227e+04    1.16209e+03   -3.03079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81726e+03    9.28684e+04    4.01100e+05   -2.33942e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64182e+04   -2.44850e+06    4.80513e+05   -1.96799e+06    2.39641e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11525e+02   -2.07429e+02   -8.33435e-02    5.72496e-06


DD  step 225854999 load imb.: force 19.9%  pme mesh/force 0.750
           Step           Time
      225855000   451710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86404e+03    1.94693e+04    1.30161e+04    1.14783e+03   -3.08886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93093e+03    9.25486e+04    4.02371e+05   -2.34292e+04   -2.98297e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64483e+04   -2.45169e+06    4.80183e+05   -1.97151e+06    2.39646e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11311e+02   -2.08049e+02    6.70385e+01    5.58373e-06


DD  step 225859999 load imb.: force 17.9%  pme mesh/force 0.714
           Step           Time
      225860000   451720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15108e+03    1.91788e+04    1.32267e+04    1.15859e+03   -2.92429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90255e+03    9.28928e+04    3.99400e+05   -2.34333e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62340e+04   -2.44721e+06    4.80587e+05   -1.96662e+06    2.39652e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11573e+02   -2.08122e+02    4.78678e+01    5.70615e-06


DD  step 225864999 load imb.: force 17.9%  pme mesh/force 0.740
           Step           Time
      225865000   451730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30499e+03    1.89263e+04    1.30919e+04    1.18927e+03   -2.91621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81059e+03    9.29805e+04    4.02680e+05   -2.33956e+04   -2.98047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64163e+04   -2.44838e+06    4.79362e+05   -1.96902e+06    2.39657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10779e+02   -2.07453e+02    1.44682e+01    5.65334e-06


DD  step 225869999 load imb.: force 16.7%  pme mesh/force 0.748
           Step           Time
      225870000   451740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15020e+03    1.92851e+04    1.30152e+04    1.10887e+03   -2.90269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80388e+03    9.27117e+04    4.02450e+05   -2.33867e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66778e+04   -2.44749e+06    4.80844e+05   -1.96664e+06    2.39663e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11740e+02   -2.07295e+02    3.05424e+00    5.53250e-06


DD  step 225874999 load imb.: force 20.1%  pme mesh/force 0.773
           Step           Time
      225875000   451750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28043e+03    1.98429e+04    1.29962e+04    1.22984e+03   -2.95169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73835e+03    9.21792e+04    4.00119e+05   -2.33667e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64947e+04   -2.44628e+06    4.80035e+05   -1.96625e+06    2.39669e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.06941e+02   -2.36710e+01    5.72522e-06


DD  step 225879999 load imb.: force 19.1%  pme mesh/force 0.751
           Step           Time
      225880000   451760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89384e+03    1.93697e+04    1.31168e+04    1.27561e+03   -2.96384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78525e+03    9.23742e+04    4.03614e+05   -2.33914e+04   -2.98095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65341e+04   -2.44834e+06    4.79726e+05   -1.96861e+06    2.39675e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11015e+02   -2.07378e+02    1.03734e+02    5.70206e-06


DD  step 225884999 load imb.: force 16.5%  pme mesh/force 0.759
           Step           Time
      225885000   451770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86017e+03    1.96063e+04    1.29602e+04    1.19988e+03   -2.95798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93758e+03    9.23347e+04    3.98141e+05   -2.33722e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64352e+04   -2.44869e+06    4.81065e+05   -1.96763e+06    2.39681e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11883e+02   -2.07039e+02   -9.81735e+01    5.58776e-06


DD  step 225889999 load imb.: force 17.2%  pme mesh/force 0.751
           Step           Time
      225890000   451780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02039e+03    1.95073e+04    1.30333e+04    1.23271e+03   -3.01527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75989e+03    9.28016e+04    4.02875e+05   -2.33945e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65429e+04   -2.44702e+06    4.77734e+05   -1.96928e+06    2.39687e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09724e+02   -2.07433e+02    7.47740e+01    5.68061e-06


DD  step 225894999 load imb.: force 16.8%  pme mesh/force 0.742
           Step           Time
      225895000   451790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17495e+03    1.92591e+04    1.29206e+04    1.27852e+03   -2.95609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79852e+03    9.31704e+04    3.98461e+05   -2.33749e+04   -2.97381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65628e+04   -2.44551e+06    4.79497e+05   -1.96602e+06    2.39692e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.07087e+02   -3.31917e+01    5.56198e-06


DD  step 225899999 load imb.: force 16.7%  pme mesh/force 0.729
           Step           Time
      225900000   451800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22575e+03    1.93885e+04    1.29607e+04    1.10776e+03   -3.03782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83896e+03    9.27728e+04    3.99783e+05   -2.33923e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64267e+04   -2.44863e+06    4.77784e+05   -1.97084e+06    2.39699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09756e+02   -2.07394e+02   -3.76631e+01    5.44042e-06


DD  step 225904999 load imb.: force 17.6%  pme mesh/force 0.749
           Step           Time
      225905000   451810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85221e+03    1.94224e+04    1.30438e+04    1.23436e+03   -2.91051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90569e+03    9.33354e+04    4.03295e+05   -2.34115e+04   -2.98149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65597e+04   -2.44816e+06    4.80015e+05   -1.96815e+06    2.39705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11202e+02   -2.07735e+02    1.04992e+02    5.62137e-06


DD  step 225909999 load imb.: force 16.5%  pme mesh/force 0.736
           Step           Time
      225910000   451820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32856e+03    1.96893e+04    1.31363e+04    1.19549e+03   -2.99596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79300e+03    9.19358e+04    4.01260e+05   -2.33659e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65090e+04   -2.44766e+06    4.78187e+05   -1.96948e+06    2.39710e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10017e+02   -2.06926e+02   -2.93420e+01    5.43238e-06


DD  step 225914999 load imb.: force 17.0%  pme mesh/force 0.725
           Step           Time
      225915000   451830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21086e+03    1.93342e+04    1.31371e+04    1.16184e+03   -2.97382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73509e+03    9.27512e+04    4.00850e+05   -2.34013e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64913e+04   -2.44629e+06    4.81206e+05   -1.96508e+06    2.39715e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11974e+02   -2.07555e+02   -1.86439e+01    5.52317e-06


DD  step 225919999 load imb.: force 16.6%  pme mesh/force 0.727
           Step           Time
      225920000   451840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07729e+03    1.93653e+04    1.32008e+04    1.15648e+03   -2.97486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87837e+03    9.24425e+04    3.99821e+05   -2.33916e+04   -2.97343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67034e+04   -2.44415e+06    4.80304e+05   -1.96385e+06    2.39722e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.07382e+02    5.89688e+00    5.72240e-06


DD  step 225924999 load imb.: force 17.0%  pme mesh/force 0.736
           Step           Time
      225925000   451850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14369e+03    1.96937e+04    1.32021e+04    1.22899e+03   -3.13444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77483e+03    9.24578e+04    4.00418e+05   -2.33891e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61656e+04   -2.44490e+06    4.79408e+05   -1.96549e+06    2.39727e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10809e+02   -2.07338e+02   -3.68550e+00    5.50464e-06


DD  step 225929999 load imb.: force 18.7%  pme mesh/force 0.758
           Step           Time
      225930000   451860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20639e+03    1.93861e+04    1.30095e+04    1.25098e+03   -2.95227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82550e+03    9.23817e+04    3.99669e+05   -2.33706e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66655e+04   -2.44595e+06    4.78298e+05   -1.96765e+06    2.39733e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10089e+02   -2.07010e+02   -3.35388e+01    5.48330e-06


DD  step 225934999 load imb.: force 16.9%  pme mesh/force 0.749
           Step           Time
      225935000   451870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99910e+03    1.97566e+04    1.30947e+04    1.16324e+03   -2.99123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80025e+03    9.18666e+04    4.03412e+05   -2.34127e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63913e+04   -2.44754e+06    4.78632e+05   -1.96891e+06    2.39739e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10306e+02   -2.07757e+02    1.05422e+02    5.62723e-06


DD  step 225939999 load imb.: force 16.8%  pme mesh/force 0.704
           Step           Time
      225940000   451880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06362e+03    1.95482e+04    1.29860e+04    1.14486e+03   -2.94433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82462e+03    9.28979e+04    4.00130e+05   -2.33658e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65317e+04   -2.44592e+06    4.80016e+05   -1.96590e+06    2.39745e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11203e+02   -2.06926e+02   -6.11845e+00    5.73305e-06


DD  step 225944999 load imb.: force 18.4%  pme mesh/force 0.762
           Step           Time
      225945000   451890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93466e+03    1.96024e+04    1.30872e+04    1.25189e+03   -2.90282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81585e+03    9.27191e+04    3.97838e+05   -2.33838e+04   -2.97248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64248e+04   -2.44509e+06    4.81406e+05   -1.96368e+06    2.39750e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12104e+02   -2.07244e+02   -2.73346e+01    5.69533e-06


DD  step 225949999 load imb.: force 17.9%  pme mesh/force 0.762
           Step           Time
      225950000   451900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92800e+03    1.95128e+04    1.29953e+04    1.19059e+03   -2.96955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01048e+03    9.26147e+04    4.00188e+05   -2.33891e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64666e+04   -2.44660e+06    4.78277e+05   -1.96832e+06    2.39756e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10076e+02   -2.07338e+02    2.00323e+01    5.58729e-06


DD  step 225954999 load imb.: force 17.9%  pme mesh/force 0.713
           Step           Time
      225955000   451910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11091e+03    1.95766e+04    1.29203e+04    1.09964e+03   -3.11214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81637e+03    9.27715e+04    4.00072e+05   -2.33716e+04   -2.97367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64921e+04   -2.44430e+06    4.79811e+05   -1.96449e+06    2.39762e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11070e+02   -2.07028e+02    3.61717e+01    5.66233e-06


DD  step 225959999 load imb.: force 16.5%  pme mesh/force 0.731
           Step           Time
      225960000   451920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84396e+03    1.93131e+04    1.32108e+04    1.13509e+03   -3.09337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83234e+03    9.27656e+04    4.01262e+05   -2.33291e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64641e+04   -2.44807e+06    4.79187e+05   -1.96888e+06    2.39768e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10665e+02   -2.06276e+02   -5.45522e+01    5.75548e-06


DD  step 225964999 load imb.: force 16.7%  pme mesh/force 0.716
           Step           Time
      225965000   451930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03664e+03    1.93226e+04    1.28249e+04    1.13773e+03   -2.94492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87437e+03    9.28588e+04    4.01846e+05   -2.34220e+04   -2.98070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64102e+04   -2.44975e+06    4.80463e+05   -1.96929e+06    2.39774e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11493e+02   -2.07921e+02    7.05163e+01    5.70000e-06


DD  step 225969999 load imb.: force 17.3%  pme mesh/force 0.751
           Step           Time
      225970000   451940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78833e+03    1.95001e+04    1.31033e+04    1.16405e+03   -2.89984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84074e+03    9.24533e+04    3.99078e+05   -2.34032e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65273e+04   -2.44985e+06    4.78982e+05   -1.97086e+06    2.39779e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10533e+02   -2.07587e+02   -4.09946e+01    5.63750e-06


DD  step 225974999 load imb.: force 19.0%  pme mesh/force 0.746
           Step           Time
      225975000   451950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10688e+03    1.93487e+04    1.30476e+04    1.09301e+03   -3.01055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75513e+03    9.24283e+04    3.99575e+05   -2.33981e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63476e+04   -2.44914e+06    4.79657e+05   -1.96948e+06    2.39785e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10970e+02   -2.07498e+02   -3.97713e+01    5.60128e-06


DD  step 225979999 load imb.: force 16.6%  pme mesh/force 0.728
           Step           Time
      225980000   451960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18716e+03    1.95918e+04    1.30773e+04    1.16952e+03   -2.99255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86864e+03    9.18352e+04    4.01833e+05   -2.33734e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64324e+04   -2.44742e+06    4.81574e+05   -1.96584e+06    2.39791e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.07060e+02   -1.48654e+01    5.57384e-06


DD  step 225984999 load imb.: force 16.9%  pme mesh/force 0.734
           Step           Time
      225985000   451970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80117e+03    1.92854e+04    1.28730e+04    1.19489e+03   -3.01246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98032e+03    9.23809e+04    4.01755e+05   -2.34175e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65637e+04   -2.44971e+06    4.77479e+05   -1.97223e+06    2.39797e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09558e+02   -2.07841e+02    7.82632e+01    5.66126e-06


DD  step 225989999 load imb.: force 17.7%  pme mesh/force 0.679
           Step           Time
      225990000   451980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95877e+03    1.92289e+04    1.30927e+04    1.23218e+03   -3.02938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70998e+03    9.22940e+04    3.99183e+05   -2.33555e+04   -2.97429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66591e+04   -2.44631e+06    4.77892e+05   -1.96842e+06    2.39803e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09826e+02   -2.06744e+02   -5.20909e+01    5.49572e-06


DD  step 225994999 load imb.: force 17.3%  pme mesh/force 0.765
           Step           Time
      225995000   451990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18140e+03    1.97565e+04    1.30277e+04    1.20147e+03   -2.98474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92205e+03    9.26330e+04    4.04611e+05   -2.33471e+04   -2.98209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67746e+04   -2.44732e+06    4.78997e+05   -1.96832e+06    2.39809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10542e+02   -2.06595e+02    8.35547e+01    5.41229e-06


DD  step 225999999 load imb.: force 16.5%  pme mesh/force 0.750
           Step           Time
      226000000   452000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09604e+03    1.91670e+04    1.33637e+04    1.22195e+03   -2.98062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95023e+03    9.27868e+04    4.02123e+05   -2.33477e+04   -2.98138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66004e+04   -2.44940e+06    4.81928e+05   -1.96747e+06    2.39815e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12443e+02   -2.06605e+02   -2.30349e+01    5.68237e-06


DD  step 226004999 load imb.: force 15.7%  pme mesh/force 0.712
           Step           Time
      226005000   452010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06789e+03    1.95212e+04    1.30868e+04    1.16565e+03   -3.01710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81831e+03    9.26355e+04    4.01322e+05   -2.33569e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64235e+04   -2.44550e+06    4.81394e+05   -1.96411e+06    2.39820e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12096e+02   -2.06768e+02    7.71652e-01    5.61217e-06

Writing checkpoint, step 226007850 at Wed Nov  8 00:01:28 2023



DD  step 226009999 load imb.: force 17.6%  pme mesh/force 0.770
           Step           Time
      226010000   452020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.40729e+03    1.93112e+04    1.31378e+04    1.19963e+03   -2.95706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76546e+03    9.20345e+04    3.99243e+05   -2.33448e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64622e+04   -2.44574e+06    4.80568e+05   -1.96517e+06    2.39826e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.06554e+02   -7.96209e+01    5.56436e-06


DD  step 226014999 load imb.: force 18.4%  pme mesh/force 0.726
           Step           Time
      226015000   452030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98318e+03    1.90357e+04    1.31658e+04    1.19802e+03   -2.98971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92721e+03    9.26290e+04    3.98540e+05   -2.33990e+04   -2.97361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64010e+04   -2.44612e+06    4.79301e+05   -1.96682e+06    2.39831e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10739e+02   -2.07513e+02   -2.00202e+01    5.41733e-06


DD  step 226019999 load imb.: force 18.5%  pme mesh/force 0.780
           Step           Time
      226020000   452040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03555e+03    1.89796e+04    1.31605e+04    1.23549e+03   -2.97325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87078e+03    9.26559e+04    4.02945e+05   -2.33510e+04   -2.97928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63316e+04   -2.44739e+06    4.78788e+05   -1.96860e+06    2.39837e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10407e+02   -2.06664e+02    3.45848e+01    5.60050e-06


DD  step 226024999 load imb.: force 20.0%  pme mesh/force 0.774
           Step           Time
      226025000   452050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00552e+03    1.92237e+04    1.32714e+04    1.15665e+03   -3.02196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85021e+03    9.24090e+04    4.01060e+05   -2.33766e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64327e+04   -2.44712e+06    4.78674e+05   -1.96845e+06    2.39843e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10333e+02   -2.07116e+02    1.44820e+01    5.48512e-06


DD  step 226029999 load imb.: force 19.4%  pme mesh/force 0.754
           Step           Time
      226030000   452060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38170e+03    1.91919e+04    1.31225e+04    1.14062e+03   -3.03474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67762e+03    9.27852e+04    4.01282e+05   -2.33815e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65709e+04   -2.44542e+06    4.80354e+05   -1.96507e+06    2.39849e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11422e+02   -2.07204e+02   -4.28958e+00    5.61468e-06


DD  step 226034999 load imb.: force 16.6%  pme mesh/force 0.719
           Step           Time
      226035000   452070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88547e+03    1.95016e+04    1.29299e+04    1.11853e+03   -2.89443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90611e+03    9.28612e+04    3.98314e+05   -2.34219e+04   -2.97433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64314e+04   -2.44670e+06    4.78990e+05   -1.96771e+06    2.39855e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10537e+02   -2.07918e+02    7.86060e+00    5.57364e-06


DD  step 226039999 load imb.: force 16.3%  pme mesh/force 0.747
           Step           Time
      226040000   452080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04058e+03    1.92665e+04    1.31056e+04    1.21847e+03   -3.05508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85474e+03    9.29590e+04    4.02145e+05   -2.33871e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63612e+04   -2.44713e+06    4.77250e+05   -1.96988e+06    2.39861e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09409e+02   -2.07303e+02    5.95314e+01    5.47876e-06


DD  step 226044999 load imb.: force 15.9%  pme mesh/force 0.727
           Step           Time
      226045000   452090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05442e+03    1.91463e+04    1.31549e+04    1.17716e+03   -2.92294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95665e+03    9.28142e+04    4.03403e+05   -2.34023e+04   -2.98236e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64132e+04   -2.44956e+06    4.80912e+05   -1.96865e+06    2.39866e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11784e+02   -2.07571e+02    8.00783e+01    5.62625e-06


DD  step 226049999 load imb.: force 17.9%  pme mesh/force 0.789
           Step           Time
      226050000   452100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25392e+03    1.94339e+04    1.30642e+04    1.19061e+03   -3.04727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78904e+03    9.24648e+04    4.01808e+05   -2.33102e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63619e+04   -2.44356e+06    4.80066e+05   -1.96350e+06    2.39872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11235e+02   -2.05944e+02   -3.70964e+01    5.52545e-06


DD  step 226054999 load imb.: force 17.8%  pme mesh/force 0.768
           Step           Time
      226055000   452110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85238e+03    1.97224e+04    1.28592e+04    1.20773e+03   -2.97300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86004e+03    9.28300e+04    4.02408e+05   -2.33799e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66450e+04   -2.44778e+06    4.78295e+05   -1.96948e+06    2.39878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10087e+02   -2.07176e+02   -9.84741e-01    5.46802e-06


DD  step 226059999 load imb.: force 16.0%  pme mesh/force 0.738
           Step           Time
      226060000   452120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25987e+03    1.91619e+04    1.31213e+04    1.17653e+03   -3.01578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97114e+03    9.22800e+04    4.00641e+05   -2.33201e+04   -2.97563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65338e+04   -2.44582e+06    4.77733e+05   -1.96809e+06    2.39883e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09723e+02   -2.06117e+02   -5.40265e+01    5.41923e-06


DD  step 226064999 load imb.: force 16.7%  pme mesh/force 0.773
           Step           Time
      226065000   452130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13914e+03    1.91023e+04    1.30441e+04    1.19612e+03   -3.08955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81052e+03    9.27873e+04    3.99283e+05   -2.33782e+04   -2.97503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65112e+04   -2.44662e+06    4.79327e+05   -1.96729e+06    2.39889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10756e+02   -2.07145e+02   -3.59410e+01    5.52068e-06


DD  step 226069999 load imb.: force 17.0%  pme mesh/force 0.731
           Step           Time
      226070000   452140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97607e+03    1.93853e+04    1.30348e+04    1.22567e+03   -3.01125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86318e+03    9.29019e+04    4.01305e+05   -2.33589e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64987e+04   -2.44592e+06    4.78718e+05   -1.96720e+06    2.39895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.06803e+02    9.13995e+00    5.62768e-06


DD  step 226074999 load imb.: force 18.6%  pme mesh/force 0.720
           Step           Time
      226075000   452150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93801e+03    1.94620e+04    1.31264e+04    1.09466e+03   -2.96112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86517e+03    9.26698e+04    4.02997e+05   -2.34007e+04   -2.98042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61511e+04   -2.44848e+06    4.78640e+05   -1.96984e+06    2.39902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10311e+02   -2.07543e+02    7.42195e+01    5.51507e-06


DD  step 226079999 load imb.: force 17.8%  pme mesh/force 0.713
           Step           Time
      226080000   452160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16449e+03    1.95130e+04    1.29773e+04    1.18328e+03   -2.98227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88564e+03    9.28241e+04    3.99901e+05   -2.33562e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65261e+04   -2.44527e+06    4.80592e+05   -1.96468e+06    2.39907e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.06756e+02   -7.50716e+00    5.60547e-06


DD  step 226084999 load imb.: force 18.4%  pme mesh/force 0.708
           Step           Time
      226085000   452170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05800e+03    1.93991e+04    1.29723e+04    1.17844e+03   -2.91225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90720e+03    9.26628e+04    4.00178e+05   -2.33503e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63215e+04   -2.44553e+06    4.80945e+05   -1.96458e+06    2.39913e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11805e+02   -2.06651e+02   -1.76632e+01    5.52490e-06


DD  step 226089999 load imb.: force 15.8%  pme mesh/force 0.706
           Step           Time
      226090000   452180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88252e+03    1.97178e+04    1.29162e+04    1.16148e+03   -3.01332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87086e+03    9.26282e+04    3.99236e+05   -2.33705e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65501e+04   -2.44877e+06    4.79032e+05   -1.96974e+06    2.39919e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10565e+02   -2.07009e+02   -6.23086e+01    5.61083e-06


DD  step 226094999 load imb.: force 18.9%  pme mesh/force 0.747
           Step           Time
      226095000   452190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16391e+03    1.93622e+04    1.31913e+04    1.14701e+03   -3.04563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82113e+03    9.31639e+04    3.99004e+05   -2.33558e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65867e+04   -2.44597e+06    4.79146e+05   -1.96682e+06    2.39925e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.06749e+02   -8.85809e+01    5.60468e-06


DD  step 226099999 load imb.: force 18.1%  pme mesh/force 0.736
           Step           Time
      226100000   452200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99480e+03    1.91538e+04    1.29277e+04    1.14158e+03   -2.96904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70189e+03    9.27407e+04    4.00241e+05   -2.34112e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63643e+04   -2.44924e+06    4.77962e+05   -1.97128e+06    2.39930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09871e+02   -2.07730e+02   -3.52735e+01    5.69515e-06


DD  step 226104999 load imb.: force 15.9%  pme mesh/force 0.738
           Step           Time
      226105000   452210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06557e+03    1.96872e+04    1.30316e+04    1.14222e+03   -2.99534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84708e+03    9.29688e+04    3.99001e+05   -2.33941e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63247e+04   -2.44732e+06    4.80466e+05   -1.96686e+06    2.39936e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11495e+02   -2.07427e+02   -3.83435e+00    5.46445e-06


DD  step 226109999 load imb.: force 18.1%  pme mesh/force 0.710
           Step           Time
      226110000   452220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11252e+03    1.92083e+04    1.30191e+04    1.18888e+03   -2.93699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92943e+03    9.25970e+04    3.98849e+05   -2.33951e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64238e+04   -2.44669e+06    4.77305e+05   -1.96938e+06    2.39942e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09445e+02   -2.07443e+02   -2.01853e+01    5.47531e-06


DD  step 226114999 load imb.: force 14.8%  pme mesh/force 0.703
           Step           Time
      226115000   452230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08537e+03    1.99290e+04    1.28776e+04    1.18710e+03   -2.99499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85870e+03    9.28240e+04    4.01986e+05   -2.33915e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65229e+04   -2.44558e+06    4.81338e+05   -1.96425e+06    2.39948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12060e+02   -2.07380e+02    8.28295e+01    5.59039e-06


DD  step 226119999 load imb.: force 16.8%  pme mesh/force 0.756
           Step           Time
      226120000   452240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11260e+03    1.92740e+04    1.28952e+04    1.07887e+03   -2.95722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78770e+03    9.28302e+04    3.99952e+05   -2.33617e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67659e+04   -2.44653e+06    4.78699e+05   -1.96783e+06    2.39953e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10349e+02   -2.06853e+02   -1.79811e+01    5.54759e-06


DD  step 226124999 load imb.: force 15.9%  pme mesh/force 0.716
           Step           Time
      226125000   452250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21849e+03    1.91947e+04    1.31706e+04    1.16688e+03   -3.00633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85831e+03    9.28931e+04    3.98842e+05   -2.33741e+04   -2.97289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66974e+04   -2.44423e+06    4.79264e+05   -1.96496e+06    2.39958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.07073e+02   -4.95603e+01    5.58335e-06


DD  step 226129999 load imb.: force 16.4%  pme mesh/force 0.746
           Step           Time
      226130000   452260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04179e+03    1.94678e+04    1.29853e+04    1.21037e+03   -2.93684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77728e+03    9.31662e+04    4.03979e+05   -2.33642e+04   -2.98006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64735e+04   -2.44626e+06    4.80071e+05   -1.96619e+06    2.39965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11239e+02   -2.06897e+02    1.09539e+02    5.54659e-06


DD  step 226134999 load imb.: force 17.1%  pme mesh/force 0.749
           Step           Time
      226135000   452270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25107e+03    1.95558e+04    1.30993e+04    1.21964e+03   -2.91464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79236e+03    9.26020e+04    4.01676e+05   -2.33581e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64267e+04   -2.44353e+06    4.81765e+05   -1.96177e+06    2.39970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12337e+02   -2.06789e+02    5.25244e+01    5.52756e-06


DD  step 226139999 load imb.: force 18.7%  pme mesh/force 0.691
           Step           Time
      226140000   452280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94734e+03    1.93237e+04    1.31021e+04    1.14983e+03   -3.05157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85601e+03    9.26650e+04    4.01745e+05   -2.33793e+04   -2.97791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64885e+04   -2.44707e+06    4.81548e+05   -1.96552e+06    2.39976e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12196e+02   -2.07164e+02    3.94259e+01    5.59451e-06


DD  step 226144999 load imb.: force 15.9%  pme mesh/force 0.723
           Step           Time
      226145000   452290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01460e+03    1.94076e+04    1.30905e+04    1.17802e+03   -2.95885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85628e+03    9.30844e+04    4.01443e+05   -2.34023e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66293e+04   -2.44666e+06    4.78197e+05   -1.96846e+06    2.39982e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10024e+02   -2.07573e+02    5.50919e+01    5.44126e-06


DD  step 226149999 load imb.: force 16.6%  pme mesh/force 0.743
           Step           Time
      226150000   452300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91910e+03    1.94609e+04    1.29090e+04    1.32348e+03   -2.96268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88620e+03    9.30251e+04    4.00286e+05   -2.33586e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64161e+04   -2.44803e+06    4.80270e+05   -1.96776e+06    2.39988e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11367e+02   -2.06798e+02    1.91269e-01    5.48988e-06


DD  step 226154999 load imb.: force 20.1%  pme mesh/force 0.764
           Step           Time
      226155000   452310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04995e+03    1.94589e+04    1.28763e+04    1.18243e+03   -2.90913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90208e+03    9.27453e+04    3.95946e+05   -2.33848e+04   -2.97222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65569e+04   -2.44680e+06    4.79050e+05   -1.96775e+06    2.39993e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.07262e+02   -1.51480e+02    5.42076e-06


DD  step 226159999 load imb.: force 16.8%  pme mesh/force 0.732
           Step           Time
      226160000   452320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08166e+03    1.90499e+04    1.29655e+04    1.20715e+03   -2.87374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73995e+03    9.27429e+04    4.01406e+05   -2.34167e+04   -2.97834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63014e+04   -2.44813e+06    4.78779e+05   -1.96935e+06    2.39999e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10401e+02   -2.07826e+02    2.33751e+00    5.56108e-06


DD  step 226164999 load imb.: force 15.9%  pme mesh/force 0.749
           Step           Time
      226165000   452330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04405e+03    1.94898e+04    1.30773e+04    1.31280e+03   -2.98976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84076e+03    9.29654e+04    4.01289e+05   -2.33976e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65362e+04   -2.44795e+06    4.78468e+05   -1.96948e+06    2.40005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10200e+02   -2.07489e+02    2.41130e+01    5.34195e-06


DD  step 226169999 load imb.: force 19.9%  pme mesh/force 0.770
           Step           Time
      226170000   452340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92857e+03    1.92636e+04    1.31219e+04    1.13931e+03   -3.02654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94984e+03    9.28228e+04    4.00767e+05   -2.33902e+04   -2.97892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65495e+04   -2.44880e+06    4.79783e+05   -1.96901e+06    2.40010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.07357e+02    2.49703e+01    5.52251e-06


DD  step 226174999 load imb.: force 18.2%  pme mesh/force 0.749
           Step           Time
      226175000   452350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02239e+03    1.93514e+04    1.29756e+04    1.28441e+03   -2.98993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88431e+03    9.32646e+04    4.03023e+05   -2.33553e+04   -2.98167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66240e+04   -2.44859e+06    4.81438e+05   -1.96715e+06    2.40016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12125e+02   -2.06740e+02    6.20181e+01    5.45855e-06


DD  step 226179999 load imb.: force 17.2%  pme mesh/force 0.743
           Step           Time
      226180000   452360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99542e+03    1.94640e+04    1.29741e+04    1.16564e+03   -2.90544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74009e+03    9.24552e+04    3.96794e+05   -2.33856e+04   -2.97429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64858e+04   -2.44851e+06    4.78795e+05   -1.96972e+06    2.40022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10411e+02   -2.07277e+02   -1.02942e+02    5.47347e-06


DD  step 226184999 load imb.: force 18.9%  pme mesh/force 0.737
           Step           Time
      226185000   452370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84046e+03    1.95670e+04    1.30952e+04    1.24007e+03   -3.02956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80986e+03    9.27649e+04    3.99230e+05   -2.33451e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65314e+04   -2.44718e+06    4.80167e+05   -1.96702e+06    2.40027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.06560e+02   -5.91337e+01    5.49742e-06


DD  step 226189999 load imb.: force 18.8%  pme mesh/force 0.769
           Step           Time
      226190000   452380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05158e+03    1.93062e+04    1.31091e+04    1.11710e+03   -2.99575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87136e+03    9.29915e+04    4.01184e+05   -2.33799e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62873e+04   -2.44836e+06    4.79575e+05   -1.96878e+06    2.40033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.07175e+02   -4.24622e-01    5.48437e-06


DD  step 226194999 load imb.: force 17.6%  pme mesh/force 0.757
           Step           Time
      226195000   452390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12345e+03    1.92856e+04    1.29763e+04    1.17023e+03   -3.00774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95829e+03    9.25788e+04    3.99399e+05   -2.33501e+04   -2.97314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67366e+04   -2.44427e+06    4.80225e+05   -1.96405e+06    2.40039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11338e+02   -2.06649e+02   -3.72708e+01    5.72429e-06


DD  step 226199999 load imb.: force 16.1%  pme mesh/force 0.736
           Step           Time
      226200000   452400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86610e+03    1.96113e+04    1.31570e+04    1.11904e+03   -2.95595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85920e+03    9.28424e+04    3.99023e+05   -2.33842e+04   -2.97354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67565e+04   -2.44465e+06    4.81709e+05   -1.96294e+06    2.40045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12301e+02   -2.07252e+02   -4.64261e+01    5.54314e-06


DD  step 226204999 load imb.: force 18.4%  pme mesh/force 0.746
           Step           Time
      226205000   452410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83978e+03    1.92303e+04    1.30649e+04    1.13232e+03   -3.00603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02057e+03    9.26069e+04    4.02095e+05   -2.33564e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64711e+04   -2.44941e+06    4.79762e+05   -1.96965e+06    2.40051e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.06759e+02    5.15148e+01    5.51338e-06


DD  step 226209999 load imb.: force 20.0%  pme mesh/force 0.774
           Step           Time
      226210000   452420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06175e+03    1.94183e+04    1.29628e+04    1.15232e+03   -2.96311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94192e+03    9.29079e+04    3.99944e+05   -2.33799e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64737e+04   -2.44648e+06    4.80849e+05   -1.96563e+06    2.40057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11743e+02   -2.07174e+02   -2.89280e+01    5.42761e-06


DD  step 226214999 load imb.: force 19.6%  pme mesh/force 0.750
           Step           Time
      226215000   452430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90068e+03    1.95506e+04    1.30210e+04    1.12503e+03   -3.03984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86471e+03    9.33329e+04    3.96985e+05   -2.33610e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65257e+04   -2.44704e+06    4.76696e+05   -1.97034e+06    2.40063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09051e+02   -2.06841e+02   -1.09585e+02    5.54625e-06


DD  step 226219999 load imb.: force 19.6%  pme mesh/force 0.773
           Step           Time
      226220000   452440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17634e+03    1.95773e+04    1.30413e+04    1.19704e+03   -2.94474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81484e+03    9.29494e+04    3.99437e+05   -2.34022e+04   -2.97452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64985e+04   -2.44518e+06    4.78516e+05   -1.96666e+06    2.40069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10230e+02   -2.07570e+02   -1.93529e+01    5.36978e-06


DD  step 226224999 load imb.: force 18.4%  pme mesh/force 0.740
           Step           Time
      226225000   452450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10874e+03    1.92778e+04    1.31842e+04    1.13181e+03   -3.01215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77428e+03    9.32769e+04    4.01584e+05   -2.33273e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65163e+04   -2.44562e+06    4.79637e+05   -1.96598e+06    2.40075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10957e+02   -2.06246e+02   -5.11026e+01    5.57389e-06


DD  step 226229999 load imb.: force 18.7%  pme mesh/force 0.759
           Step           Time
      226230000   452460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03360e+03    1.95636e+04    1.32232e+04    1.29467e+03   -3.00190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83967e+03    9.25619e+04    3.99452e+05   -2.33789e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63328e+04   -2.44622e+06    4.80175e+05   -1.96605e+06    2.40080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11306e+02   -2.07158e+02   -1.59722e+01    5.47618e-06


DD  step 226234999 load imb.: force 19.5%  pme mesh/force 0.757
           Step           Time
      226235000   452470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91956e+03    1.96468e+04    1.29946e+04    1.18572e+03   -3.02746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90949e+03    9.31574e+04    3.98619e+05   -2.33296e+04   -2.97420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67036e+04   -2.44542e+06    4.78925e+05   -1.96649e+06    2.40086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10495e+02   -2.06286e+02   -4.62894e+01    5.71727e-06


DD  step 226239999 load imb.: force 17.8%  pme mesh/force 0.761
           Step           Time
      226240000   452480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10569e+03    1.92262e+04    1.28256e+04    1.15679e+03   -2.97679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74865e+03    9.29273e+04    4.01816e+05   -2.33731e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62826e+04   -2.44673e+06    4.77397e+05   -1.96933e+06    2.40092e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09505e+02   -2.07055e+02   -2.12585e+01    5.68420e-06


DD  step 226244999 load imb.: force 17.2%  pme mesh/force 0.746
           Step           Time
      226245000   452490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76100e+03    1.96333e+04    1.29989e+04    1.15882e+03   -2.88100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84903e+03    9.23120e+04    4.01600e+05   -2.33889e+04   -2.97925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64944e+04   -2.44872e+06    4.80578e+05   -1.96814e+06    2.40098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11567e+02   -2.07334e+02    3.30301e+01    5.58478e-06


DD  step 226249999 load imb.: force 19.0%  pme mesh/force 0.752
           Step           Time
      226250000   452500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25582e+03    1.96790e+04    1.32066e+04    1.09141e+03   -2.87701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78286e+03    9.25754e+04    3.99263e+05   -2.33793e+04   -2.97453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64918e+04   -2.44544e+06    4.81624e+05   -1.96382e+06    2.40104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12245e+02   -2.07164e+02   -5.69130e+01    5.58170e-06


DD  step 226254999 load imb.: force 18.6%  pme mesh/force 0.740
           Step           Time
      226255000   452510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97418e+03    1.93402e+04    1.30520e+04    1.17486e+03   -2.98184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88048e+03    9.33760e+04    4.01424e+05   -2.34006e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62063e+04   -2.44827e+06    4.79767e+05   -1.96850e+06    2.40109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.07541e+02    2.26738e+01    5.47715e-06


DD  step 226259999 load imb.: force 19.4%  pme mesh/force 0.787
           Step           Time
      226260000   452520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82318e+03    1.94172e+04    1.29981e+04    1.29840e+03   -2.96690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96162e+03    9.30417e+04    4.04643e+05   -2.34263e+04   -2.98314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65067e+04   -2.44885e+06    4.81111e+05   -1.96774e+06    2.40115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11913e+02   -2.07996e+02    1.56301e+02    5.59478e-06


DD  step 226264999 load imb.: force 18.8%  pme mesh/force 0.756
           Step           Time
      226265000   452530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07643e+03    1.98550e+04    1.30354e+04    1.20057e+03   -2.97385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81423e+03    9.28439e+04    4.00288e+05   -2.34238e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62909e+04   -2.44661e+06    4.80048e+05   -1.96656e+06    2.40121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.07953e+02    2.25720e+01    5.41046e-06


DD  step 226269999 load imb.: force 19.2%  pme mesh/force 0.753
           Step           Time
      226270000   452540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04082e+03    1.93447e+04    1.30898e+04    1.25214e+03   -2.99393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86314e+03    9.29989e+04    4.03331e+05   -2.33836e+04   -2.98063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65792e+04   -2.44750e+06    4.78777e+05   -1.96873e+06    2.40127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10400e+02   -2.07240e+02    9.94651e+01    5.62621e-06


DD  step 226274999 load imb.: force 17.8%  pme mesh/force 0.764
           Step           Time
      226275000   452550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07334e+03    1.95194e+04    1.31753e+04    1.21596e+03   -3.07448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88320e+03    9.30816e+04    3.98781e+05   -2.33815e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66498e+04   -2.44578e+06    4.80200e+05   -1.96558e+06    2.40133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.07204e+02   -3.85493e+01    5.51651e-06


DD  step 226279999 load imb.: force 18.6%  pme mesh/force 0.782
           Step           Time
      226280000   452560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95327e+03    1.94945e+04    1.30717e+04    1.22101e+03   -2.99710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85550e+03    9.27845e+04    3.98612e+05   -2.34031e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64968e+04   -2.44752e+06    4.77497e+05   -1.97002e+06    2.40139e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09570e+02   -2.07587e+02   -7.99691e+01    5.52747e-06


DD  step 226284999 load imb.: force 17.3%  pme mesh/force 0.741
           Step           Time
      226285000   452570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15869e+03    1.95858e+04    1.31864e+04    1.31166e+03   -3.03840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94005e+03    9.26681e+04    3.99528e+05   -2.33706e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66990e+04   -2.44848e+06    4.82088e+05   -1.96639e+06    2.40145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12546e+02   -2.07010e+02   -5.04369e+01    5.41324e-06


DD  step 226289999 load imb.: force 16.7%  pme mesh/force 0.739
           Step           Time
      226290000   452580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96077e+03    1.93708e+04    1.32233e+04    1.21422e+03   -3.00359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88244e+03    9.29244e+04    4.00256e+05   -2.33808e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66811e+04   -2.44690e+06    4.78030e+05   -1.96887e+06    2.40150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09916e+02   -2.07191e+02   -4.08197e+01    5.34584e-06


DD  step 226294999 load imb.: force 18.6%  pme mesh/force 0.755
           Step           Time
      226295000   452590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21605e+03    1.94546e+04    1.31739e+04    1.21086e+03   -3.08741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77553e+03    9.27622e+04    4.02499e+05   -2.33980e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64021e+04   -2.44670e+06    4.81137e+05   -1.96556e+06    2.40156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11930e+02   -2.07496e+02    4.69876e+01    5.60035e-06


DD  step 226299999 load imb.: force 19.9%  pme mesh/force 0.745
           Step           Time
      226300000   452600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94903e+03    1.94595e+04    1.30046e+04    1.23779e+03   -2.97103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87202e+03    9.27688e+04    4.02308e+05   -2.33740e+04   -2.98024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65695e+04   -2.44842e+06    4.80054e+05   -1.96836e+06    2.40161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11228e+02   -2.07070e+02    4.05264e+01    5.51571e-06


DD  step 226304999 load imb.: force 18.5%  pme mesh/force 0.749
           Step           Time
      226305000   452610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74903e+03    1.92182e+04    1.31721e+04    1.19907e+03   -3.04046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97450e+03    9.31313e+04    4.01388e+05   -2.33677e+04   -2.97860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66104e+04   -2.44757e+06    4.80660e+05   -1.96691e+06    2.40167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.06959e+02    5.64644e+01    5.42251e-06


DD  step 226309999 load imb.: force 18.4%  pme mesh/force 0.775
           Step           Time
      226310000   452620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22000e+03    1.95168e+04    1.30573e+04    1.15800e+03   -2.98839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65727e+03    9.25912e+04    4.01475e+05   -2.33716e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65930e+04   -2.44847e+06    4.78603e+05   -1.96987e+06    2.40173e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.07029e+02   -4.89865e+01    5.55693e-06


DD  step 226314999 load imb.: force 20.4%  pme mesh/force 0.750
           Step           Time
      226315000   452630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87408e+03    1.87521e+04    1.29296e+04    1.27601e+03   -3.01602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80723e+03    9.27648e+04    4.02154e+05   -2.34579e+04   -2.98280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61870e+04   -2.45253e+06    4.79127e+05   -1.97340e+06    2.40179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10627e+02   -2.08558e+02    5.43318e+01    5.38934e-06


DD  step 226319999 load imb.: force 17.6%  pme mesh/force 0.740
           Step           Time
      226320000   452640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82315e+03    1.94789e+04    1.31566e+04    1.20442e+03   -2.96406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93212e+03    9.30135e+04    3.99396e+05   -2.33165e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63854e+04   -2.44762e+06    4.79323e+05   -1.96830e+06    2.40185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.06054e+02   -7.30388e+01    5.43749e-06


DD  step 226324999 load imb.: force 17.5%  pme mesh/force 0.740
           Step           Time
      226325000   452650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03164e+03    1.95897e+04    1.30939e+04    1.23808e+03   -3.01917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78705e+03    9.27228e+04    4.01976e+05   -2.33773e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64613e+04   -2.44762e+06    4.79212e+05   -1.96841e+06    2.40191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10682e+02   -2.07128e+02    3.73724e+01    5.52680e-06


DD  step 226329999 load imb.: force 18.0%  pme mesh/force 0.750
           Step           Time
      226330000   452660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99108e+03    1.93873e+04    1.30027e+04    1.22805e+03   -3.01866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85916e+03    9.29039e+04    4.01166e+05   -2.34116e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63567e+04   -2.44666e+06    4.79611e+05   -1.96705e+06    2.40197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.07737e+02    5.72514e+01    5.31545e-06


DD  step 226334999 load imb.: force 17.4%  pme mesh/force 0.774
           Step           Time
      226335000   452670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02665e+03    1.91921e+04    1.33670e+04    1.19098e+03   -3.06701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79315e+03    9.37206e+04    4.01563e+05   -2.33597e+04   -2.97980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64668e+04   -2.44791e+06    4.79604e+05   -1.96830e+06    2.40202e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10936e+02   -2.06818e+02   -6.35362e+00    5.32830e-06

Writing checkpoint, step 226335150 at Wed Nov  8 00:16:28 2023



DD  step 226339999 load imb.: force 16.1%  pme mesh/force 0.747
           Step           Time
      226340000   452680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87476e+03    1.92310e+04    1.32748e+04    1.17126e+03   -3.08167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84763e+03    9.31458e+04    4.00279e+05   -2.34013e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66310e+04   -2.44619e+06    4.82395e+05   -1.96379e+06    2.40208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12745e+02   -2.07555e+02    3.18887e+01    5.42520e-06


DD  step 226344999 load imb.: force 17.7%  pme mesh/force 0.758
           Step           Time
      226345000   452690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88191e+03    1.94132e+04    1.31781e+04    1.20687e+03   -3.03429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83253e+03    9.27741e+04    4.00557e+05   -2.33567e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66742e+04   -2.44564e+06    4.79754e+05   -1.96588e+06    2.40214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11033e+02   -2.06765e+02   -1.13782e+00    5.58810e-06


DD  step 226349999 load imb.: force 22.1%  pme mesh/force 0.787
           Step           Time
      226350000   452700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01950e+03    1.96710e+04    1.30689e+04    1.28045e+03   -3.03719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87115e+03    9.25821e+04    3.98334e+05   -2.33700e+04   -2.97302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65434e+04   -2.44506e+06    4.79671e+05   -1.96539e+06    2.40220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.07000e+02   -2.86871e+01    5.52758e-06


DD  step 226354999 load imb.: force 17.5%  pme mesh/force 0.772
           Step           Time
      226355000   452710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06542e+03    1.94136e+04    1.31244e+04    1.17976e+03   -3.06737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73666e+03    9.30223e+04    3.99066e+05   -2.33771e+04   -2.97539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65435e+04   -2.44669e+06    4.79997e+05   -1.96669e+06    2.40226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11191e+02   -2.07126e+02   -9.20657e+01    5.29759e-06


DD  step 226359999 load imb.: force 18.6%  pme mesh/force 0.775
           Step           Time
      226360000   452720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.51460e+03    1.93384e+04    1.30100e+04    1.22441e+03   -3.00624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78065e+03    9.29718e+04    4.02061e+05   -2.33656e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61953e+04   -2.44735e+06    4.81438e+05   -1.96591e+06    2.40232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12125e+02   -2.06922e+02   -9.37990e+00    5.49420e-06


DD  step 226364999 load imb.: force 19.8%  pme mesh/force 0.773
           Step           Time
      226365000   452730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98055e+03    1.97490e+04    1.30632e+04    1.22932e+03   -3.03370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83190e+03    9.21582e+04    3.99068e+05   -2.33393e+04   -2.97460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66319e+04   -2.44626e+06    4.79123e+05   -1.96714e+06    2.40238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10624e+02   -2.06457e+02   -8.34149e+01    5.54031e-06


DD  step 226369999 load imb.: force 19.7%  pme mesh/force 0.758
           Step           Time
      226370000   452740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82646e+03    1.87523e+04    1.30766e+04    1.13694e+03   -2.94935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83789e+03    9.31933e+04    4.00654e+05   -2.33600e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62982e+04   -2.44941e+06    4.77868e+05   -1.97155e+06    2.40243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.06822e+02   -6.88373e+01    5.58204e-06


DD  step 226374999 load imb.: force 17.0%  pme mesh/force 0.763
           Step           Time
      226375000   452750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13835e+03    1.96583e+04    1.28972e+04    1.27501e+03   -3.04123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83545e+03    9.27071e+04    3.99705e+05   -2.33888e+04   -2.97274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65098e+04   -2.44344e+06    4.78878e+05   -1.96456e+06    2.40249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10465e+02   -2.07332e+02    5.14497e+01    5.50698e-06


DD  step 226379999 load imb.: force 18.8%  pme mesh/force 0.754
           Step           Time
      226380000   452760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99488e+03    1.94506e+04    1.31742e+04    1.07310e+03   -2.97502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76215e+03    9.28007e+04    4.00375e+05   -2.34115e+04   -2.97667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63391e+04   -2.44708e+06    4.77568e+05   -1.96952e+06    2.40255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09616e+02   -2.07735e+02    2.31295e+01    5.60814e-06


DD  step 226384999 load imb.: force 18.0%  pme mesh/force 0.734
           Step           Time
      226385000   452770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10077e+03    1.91378e+04    1.30706e+04    1.16666e+03   -3.15599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85713e+03    9.28453e+04    4.00198e+05   -2.33669e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63706e+04   -2.44831e+06    4.80255e+05   -1.96806e+06    2.40261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11358e+02   -2.06946e+02   -3.45922e+01    5.58498e-06


DD  step 226389999 load imb.: force 18.9%  pme mesh/force 0.782
           Step           Time
      226390000   452780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68785e+03    1.95879e+04    1.31451e+04    1.09983e+03   -3.09568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89297e+03    9.30556e+04    4.00027e+05   -2.33970e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63936e+04   -2.44841e+06    4.79183e+05   -1.96923e+06    2.40266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.07477e+02    1.34893e+01    5.57890e-06


DD  step 226394999 load imb.: force 16.1%  pme mesh/force 0.722
           Step           Time
      226395000   452790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01300e+03    1.94559e+04    1.32648e+04    1.19449e+03   -3.18087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89695e+03    9.29709e+04    4.01601e+05   -2.34116e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65315e+04   -2.44716e+06    4.80289e+05   -1.96687e+06    2.40272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.07736e+02    4.61939e+01    5.37879e-06


DD  step 226399999 load imb.: force 19.8%  pme mesh/force 0.759
           Step           Time
      226400000   452800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80381e+03    1.93676e+04    1.29977e+04    1.21330e+03   -3.01947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85728e+03    9.27506e+04    4.02515e+05   -2.33602e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63599e+04   -2.44617e+06    4.78901e+05   -1.96727e+06    2.40278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.06827e+02    1.07327e+01    5.66657e-06


DD  step 226404999 load imb.: force 17.2%  pme mesh/force 0.747
           Step           Time
      226405000   452810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03732e+03    1.95963e+04    1.31377e+04    1.13341e+03   -2.98355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83939e+03    9.25128e+04    4.00181e+05   -2.34214e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64813e+04   -2.44807e+06    4.82032e+05   -1.96604e+06    2.40284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12510e+02   -2.07910e+02    4.55295e+01    5.53717e-06


DD  step 226409999 load imb.: force 17.7%  pme mesh/force 0.761
           Step           Time
      226410000   452820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11290e+03    1.92899e+04    1.30454e+04    1.18392e+03   -2.91146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80210e+03    9.26365e+04    3.98560e+05   -2.33922e+04   -2.97501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63956e+04   -2.44728e+06    4.78096e+05   -1.96919e+06    2.40290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09958e+02   -2.07393e+02   -6.39693e+01    5.58528e-06


DD  step 226414999 load imb.: force 18.7%  pme mesh/force 0.775
           Step           Time
      226415000   452830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96069e+03    1.93339e+04    1.30294e+04    1.24471e+03   -2.95659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77993e+03    9.26715e+04    4.00594e+05   -2.33920e+04   -2.97568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65260e+04   -2.44588e+06    4.79748e+05   -1.96614e+06    2.40295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.07388e+02    4.27287e+01    5.80277e-06


DD  step 226419999 load imb.: force 19.9%  pme mesh/force 0.771
           Step           Time
      226420000   452840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66418e+03    1.93713e+04    1.30970e+04    1.20021e+03   -3.02471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82348e+03    9.30583e+04    4.00075e+05   -2.33999e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64348e+04   -2.44718e+06    4.79003e+05   -1.96818e+06    2.40301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10546e+02   -2.07529e+02    2.61769e+01    5.57414e-06


DD  step 226424999 load imb.: force 19.0%  pme mesh/force 0.794
           Step           Time
      226425000   452850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96544e+03    1.95007e+04    1.29170e+04    1.13253e+03   -2.92288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81063e+03    9.31376e+04    4.00146e+05   -2.33785e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64385e+04   -2.44749e+06    4.78633e+05   -1.96886e+06    2.40307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10306e+02   -2.07151e+02   -3.55205e+00    5.47498e-06


DD  step 226429999 load imb.: force 17.9%  pme mesh/force 0.759
           Step           Time
      226430000   452860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88917e+03    1.91958e+04    1.31704e+04    1.19812e+03   -3.05305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87472e+03    9.29903e+04    3.98063e+05   -2.33722e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65357e+04   -2.44875e+06    4.78863e+05   -1.96989e+06    2.40312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10455e+02   -2.07040e+02   -8.72084e+01    5.62726e-06


DD  step 226434999 load imb.: force 18.4%  pme mesh/force 0.778
           Step           Time
      226435000   452870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11855e+03    1.90856e+04    1.29703e+04    1.13287e+03   -3.01981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98685e+03    9.31870e+04    3.99613e+05   -2.34053e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63607e+04   -2.44886e+06    4.78658e+05   -1.97020e+06    2.40318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10323e+02   -2.07625e+02   -2.95018e+01    5.57785e-06


DD  step 226439999 load imb.: force 19.8%  pme mesh/force 0.746
           Step           Time
      226440000   452880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79570e+03    1.95684e+04    1.32221e+04    1.17704e+03   -2.96173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88684e+03    9.25537e+04    3.98816e+05   -2.34406e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63340e+04   -2.44754e+06    4.80522e+05   -1.96702e+06    2.40324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11531e+02   -2.08251e+02   -2.10745e+00    5.68567e-06


DD  step 226444999 load imb.: force 19.9%  pme mesh/force 0.778
           Step           Time
      226445000   452890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00842e+03    1.94610e+04    1.32590e+04    1.25441e+03   -3.12135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92651e+03    9.29619e+04    4.01380e+05   -2.33794e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67724e+04   -2.44327e+06    4.80453e+05   -1.96282e+06    2.40330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.07166e+02    9.67055e+01    5.54577e-06


DD  step 226449999 load imb.: force 17.9%  pme mesh/force 0.752
           Step           Time
      226450000   452900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09192e+03    1.99985e+04    1.30737e+04    1.20236e+03   -2.93439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76209e+03    9.25149e+04    4.00043e+05   -2.34281e+04   -2.97383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65184e+04   -2.44399e+06    4.79942e+05   -1.96404e+06    2.40336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.08029e+02    7.63567e+01    5.61218e-06


DD  step 226454999 load imb.: force 18.1%  pme mesh/force 0.782
           Step           Time
      226455000   452910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02276e+03    1.94738e+04    1.30563e+04    1.23542e+03   -3.04004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80275e+03    9.25155e+04    3.99732e+05   -2.33521e+04   -2.97507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66047e+04   -2.44602e+06    4.80656e+05   -1.96537e+06    2.40341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11618e+02   -2.06683e+02   -3.15646e+01    5.50286e-06


DD  step 226459999 load imb.: force 18.3%  pme mesh/force 0.760
           Step           Time
      226460000   452920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14188e+03    1.96400e+04    1.30414e+04    1.15398e+03   -3.09138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83277e+03    9.21455e+04    3.99048e+05   -2.33613e+04   -2.97481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67165e+04   -2.44655e+06    4.79394e+05   -1.96715e+06    2.40347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10800e+02   -2.06846e+02   -7.81273e+01    5.52669e-06


DD  step 226464999 load imb.: force 19.5%  pme mesh/force 0.784
           Step           Time
      226465000   452930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08223e+03    1.95273e+04    1.30422e+04    1.20388e+03   -2.94665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82153e+03    9.27320e+04    3.99684e+05   -2.34037e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66939e+04   -2.44595e+06    4.79746e+05   -1.96620e+06    2.40353e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.07597e+02   -5.13081e+00    5.50849e-06


DD  step 226469999 load imb.: force 17.5%  pme mesh/force 0.758
           Step           Time
      226470000   452940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90507e+03    1.93262e+04    1.29902e+04    1.18412e+03   -3.06618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74555e+03    9.22805e+04    4.01893e+05   -2.33888e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65047e+04   -2.44975e+06    4.76775e+05   -1.97297e+06    2.40359e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09102e+02   -2.07333e+02    2.25337e+01    5.81480e-06


DD  step 226474999 load imb.: force 18.4%  pme mesh/force 0.767
           Step           Time
      226475000   452950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00530e+03    1.96927e+04    1.32453e+04    1.13125e+03   -3.07690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79076e+03    9.25438e+04    3.96777e+05   -2.33744e+04   -2.97282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64981e+04   -2.44659e+06    4.80275e+05   -1.96632e+06    2.40364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.07077e+02   -1.59921e+02    5.70912e-06


DD  step 226479999 load imb.: force 18.9%  pme mesh/force 0.787
           Step           Time
      226480000   452960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26365e+03    1.96026e+04    1.30201e+04    1.29982e+03   -3.03822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69138e+03    9.25684e+04    4.00226e+05   -2.33618e+04   -2.97256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64764e+04   -2.44282e+06    4.82061e+05   -1.96076e+06    2.40370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12529e+02   -2.06855e+02   -4.17215e+01    5.54781e-06


DD  step 226484999 load imb.: force 20.0%  pme mesh/force 0.782
           Step           Time
      226485000   452970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82445e+03    1.97400e+04    1.32333e+04    1.21222e+03   -3.07889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71594e+03    9.31021e+04    3.99852e+05   -2.34369e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65232e+04   -2.44703e+06    4.80098e+05   -1.96693e+06    2.40376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11256e+02   -2.08185e+02    2.38715e+01    5.70614e-06


DD  step 226489999 load imb.: force 17.4%  pme mesh/force 0.729
           Step           Time
      226490000   452980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32306e+03    1.93905e+04    1.31228e+04    1.23335e+03   -3.13278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69846e+03    9.27465e+04    3.99639e+05   -2.34056e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65425e+04   -2.44830e+06    4.80537e+05   -1.96776e+06    2.40381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11540e+02   -2.07631e+02   -5.18422e+01    5.77448e-06


DD  step 226494999 load imb.: force 19.6%  pme mesh/force 0.776
           Step           Time
      226495000   452990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08091e+03    1.95301e+04    1.29428e+04    1.15843e+03   -3.01749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84600e+03    9.28639e+04    3.98134e+05   -2.34344e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64606e+04   -2.44731e+06    4.77478e+05   -1.96984e+06    2.40387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09557e+02   -2.08141e+02   -1.98266e+01    5.59815e-06


DD  step 226499999 load imb.: force 18.8%  pme mesh/force 0.790
           Step           Time
      226500000   453000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14382e+03    1.96475e+04    1.29302e+04    1.13705e+03   -2.91158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80373e+03    9.27466e+04    4.01327e+05   -2.33582e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64411e+04   -2.44399e+06    4.80636e+05   -1.96336e+06    2.40393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11605e+02   -2.06792e+02    5.82668e+01    5.46744e-06


DD  step 226504999 load imb.: force 18.3%  pme mesh/force 0.775
           Step           Time
      226505000   453010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08059e+03    1.91306e+04    1.32088e+04    1.23492e+03   -3.13079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99089e+03    9.30701e+04    4.01509e+05   -2.34092e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61504e+04   -2.44790e+06    4.80174e+05   -1.96772e+06    2.40399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.07695e+02    7.08978e+01    5.71838e-06


DD  step 226509999 load imb.: force 17.0%  pme mesh/force 0.754
           Step           Time
      226510000   453020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19110e+03    1.93178e+04    1.32346e+04    1.23419e+03   -3.05102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74655e+03    9.18762e+04    4.00182e+05   -2.34084e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63730e+04   -2.44773e+06    4.79759e+05   -1.96797e+06    2.40405e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11036e+02   -2.07679e+02   -1.46404e+01    5.82548e-06


DD  step 226514999 load imb.: force 16.8%  pme mesh/force 0.734
           Step           Time
      226515000   453030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11910e+03    1.91986e+04    1.30100e+04    1.19450e+03   -3.01035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84773e+03    9.28536e+04    4.00197e+05   -2.33681e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64422e+04   -2.44571e+06    4.79697e+05   -1.96602e+06    2.40410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10996e+02   -2.06965e+02   -2.95825e+01    5.67383e-06


DD  step 226519999 load imb.: force 16.1%  pme mesh/force 0.717
           Step           Time
      226520000   453040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96279e+03    1.96142e+04    1.31772e+04    1.25070e+03   -3.02743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90902e+03    9.30246e+04    3.97398e+05   -2.33781e+04   -2.97077e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66264e+04   -2.44321e+06    4.81767e+05   -1.96144e+06    2.40416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12338e+02   -2.07144e+02    6.24722e+00    5.62418e-06


DD  step 226524999 load imb.: force 15.5%  pme mesh/force 0.741
           Step           Time
      226525000   453050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13050e+03    1.94640e+04    1.30561e+04    1.20247e+03   -3.15151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87698e+03    9.31476e+04    3.98822e+05   -2.33359e+04   -2.97449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64825e+04   -2.44579e+06    4.78394e+05   -1.96740e+06    2.40422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.06398e+02   -5.58975e+01    5.62832e-06


DD  step 226529999 load imb.: force 16.7%  pme mesh/force 0.777
           Step           Time
      226530000   453060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91901e+03    1.94390e+04    1.29959e+04    1.17089e+03   -2.98533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87045e+03    9.26726e+04    3.99431e+05   -2.34078e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65604e+04   -2.44877e+06    4.79014e+05   -1.96976e+06    2.40428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.07670e+02   -4.72456e+00    5.61367e-06


DD  step 226534999 load imb.: force 19.4%  pme mesh/force 0.782
           Step           Time
      226535000   453070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06245e+03    1.96505e+04    1.32474e+04    1.20463e+03   -3.00248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82842e+03    9.21969e+04    4.01377e+05   -2.34070e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64425e+04   -2.44763e+06    4.78459e+05   -1.96917e+06    2.40434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10194e+02   -2.07655e+02    3.13643e+01    5.59125e-06


DD  step 226539999 load imb.: force 16.0%  pme mesh/force 0.744
           Step           Time
      226540000   453080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01089e+03    1.91158e+04    1.30267e+04    1.16877e+03   -2.98619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84844e+03    9.26630e+04    4.00466e+05   -2.33936e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65130e+04   -2.44845e+06    4.78987e+05   -1.96946e+06    2.40439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.07417e+02   -8.85550e+00    5.63910e-06


DD  step 226544999 load imb.: force 18.3%  pme mesh/force 0.775
           Step           Time
      226545000   453090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87697e+03    1.95339e+04    1.31022e+04    1.16623e+03   -3.04792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86584e+03    9.24876e+04    3.99055e+05   -2.33850e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63097e+04   -2.44775e+06    4.80054e+05   -1.96770e+06    2.40446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.07266e+02   -3.39888e+01    5.55804e-06


DD  step 226549999 load imb.: force 15.3%  pme mesh/force 0.729
           Step           Time
      226550000   453100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85648e+03    1.93735e+04    1.30944e+04    1.23577e+03   -2.98817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.06979e+03    9.29952e+04    4.00248e+05   -2.33850e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65403e+04   -2.44650e+06    4.79771e+05   -1.96673e+06    2.40451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11044e+02   -2.07266e+02    4.22059e+01    5.46690e-06


DD  step 226554999 load imb.: force 18.7%  pme mesh/force 0.757
           Step           Time
      226555000   453110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97813e+03    1.94135e+04    1.30399e+04    1.20974e+03   -2.95173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84450e+03    9.28862e+04    3.99469e+05   -2.33607e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64452e+04   -2.44843e+06    4.81493e+05   -1.96693e+06    2.40456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12160e+02   -2.06835e+02   -7.48311e+01    5.59632e-06


DD  step 226559999 load imb.: force 17.8%  pme mesh/force 0.776
           Step           Time
      226560000   453120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14609e+03    1.94264e+04    1.30675e+04    1.20463e+03   -3.02472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77217e+03    9.26271e+04    4.02533e+05   -2.33695e+04   -2.97983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65159e+04   -2.44793e+06    4.80058e+05   -1.96787e+06    2.40462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.06992e+02    6.88261e+01    5.66348e-06


DD  step 226564999 load imb.: force 16.1%  pme mesh/force 0.781
           Step           Time
      226565000   453130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92936e+03    1.94018e+04    1.29309e+04    1.11851e+03   -2.97099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90707e+03    9.30387e+04    4.00832e+05   -2.33578e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64948e+04   -2.44727e+06    4.80888e+05   -1.96638e+06    2.40468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11768e+02   -2.06783e+02   -1.59183e+00    5.66686e-06


DD  step 226569999 load imb.: force 18.7%  pme mesh/force 0.742
           Step           Time
      226570000   453140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09166e+03    1.93933e+04    1.31231e+04    1.21331e+03   -3.03596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82534e+03    9.26100e+04    4.01558e+05   -2.33821e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65273e+04   -2.44668e+06    4.78811e+05   -1.96786e+06    2.40474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10422e+02   -2.07214e+02    4.04581e+01    5.59774e-06


DD  step 226574999 load imb.: force 17.8%  pme mesh/force 0.780
           Step           Time
      226575000   453150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17649e+03    1.94633e+04    1.29244e+04    1.17484e+03   -3.04494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87996e+03    9.24586e+04    4.00922e+05   -2.34165e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65034e+04   -2.44682e+06    4.81537e+05   -1.96528e+06    2.40479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12189e+02   -2.07823e+02    5.83117e+01    5.67629e-06


DD  step 226579999 load imb.: force 18.5%  pme mesh/force 0.774
           Step           Time
      226580000   453160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87596e+03    1.94476e+04    1.30325e+04    1.12920e+03   -3.07606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79740e+03    9.27772e+04    4.01234e+05   -2.33721e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65470e+04   -2.44766e+06    4.81891e+05   -1.96577e+06    2.40485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12418e+02   -2.07037e+02    1.27711e+01    5.59558e-06


DD  step 226584999 load imb.: force 18.4%  pme mesh/force 0.789
           Step           Time
      226585000   453170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90877e+03    1.92455e+04    1.30269e+04    1.21406e+03   -3.05418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81377e+03    9.29629e+04    4.02861e+05   -2.33998e+04   -2.98180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63172e+04   -2.44991e+06    4.79250e+05   -1.97066e+06    2.40491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10707e+02   -2.07527e+02    7.06773e+01    5.65227e-06


DD  step 226589999 load imb.: force 20.0%  pme mesh/force 0.788
           Step           Time
      226590000   453180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05873e+03    1.92604e+04    1.29437e+04    1.15633e+03   -3.08882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84659e+03    9.28591e+04    3.98643e+05   -2.33327e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63523e+04   -2.44876e+06    4.80410e+05   -1.96835e+06    2.40496e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11458e+02   -2.06340e+02   -6.62743e+01    5.76534e-06


DD  step 226594999 load imb.: force 18.1%  pme mesh/force 0.799
           Step           Time
      226595000   453190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90167e+03    1.90753e+04    1.30561e+04    1.20184e+03   -3.04228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98269e+03    9.34389e+04    4.02480e+05   -2.34038e+04   -2.98080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65155e+04   -2.44859e+06    4.80801e+05   -1.96779e+06    2.40502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11712e+02   -2.07599e+02    8.20136e+01    5.40861e-06


DD  step 226599999 load imb.: force 15.4%  pme mesh/force 0.717
           Step           Time
      226600000   453200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88523e+03    1.95192e+04    1.31137e+04    1.16715e+03   -2.90623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81983e+03    9.29339e+04    3.98934e+05   -2.33322e+04   -2.97387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65940e+04   -2.44514e+06    4.79937e+05   -1.96521e+06    2.40508e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11152e+02   -2.06331e+02   -4.90345e+01    5.50028e-06


DD  step 226604999 load imb.: force 17.8%  pme mesh/force 0.781
           Step           Time
      226605000   453210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93433e+03    1.96250e+04    1.32414e+04    1.19040e+03   -2.96696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96778e+03    9.25986e+04    3.98152e+05   -2.33986e+04   -2.97322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63825e+04   -2.44549e+06    4.80927e+05   -1.96456e+06    2.40514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11793e+02   -2.07505e+02   -1.25277e+01    5.54683e-06


DD  step 226609999 load imb.: force 17.4%  pme mesh/force 0.791
           Step           Time
      226610000   453220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10165e+03    1.95764e+04    1.31342e+04    1.23926e+03   -3.09906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85200e+03    9.26966e+04    4.00147e+05   -2.33542e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64225e+04   -2.44697e+06    4.79102e+05   -1.96787e+06    2.40520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10610e+02   -2.06721e+02   -1.43970e+01    5.48902e-06


DD  step 226614999 load imb.: force 17.1%  pme mesh/force 0.771
           Step           Time
      226615000   453230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24782e+03    1.92241e+04    1.32463e+04    1.07412e+03   -3.10620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91288e+03    9.26159e+04    4.00859e+05   -2.33625e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62406e+04   -2.44617e+06    4.80408e+05   -1.96576e+06    2.40525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11457e+02   -2.06867e+02   -2.74068e+01    5.51464e-06


DD  step 226619999 load imb.: force 18.1%  pme mesh/force 0.752
           Step           Time
      226620000   453240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01878e+03    1.89383e+04    1.30745e+04    1.27698e+03   -3.16958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85592e+03    9.27735e+04    3.99214e+05   -2.33803e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66514e+04   -2.44798e+06    4.80617e+05   -1.96736e+06    2.40531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11593e+02   -2.07182e+02   -5.89589e+01    5.60872e-06


DD  step 226624999 load imb.: force 19.7%  pme mesh/force 0.786
           Step           Time
      226625000   453250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93871e+03    1.95438e+04    1.30223e+04    1.07992e+03   -3.09631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81541e+03    9.32301e+04    3.98318e+05   -2.33755e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65795e+04   -2.44648e+06    4.79126e+05   -1.96736e+06    2.40537e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10626e+02   -2.07098e+02   -6.52458e+01    5.62151e-06


DD  step 226629999 load imb.: force 18.3%  pme mesh/force 0.783
           Step           Time
      226630000   453260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88496e+03    1.93749e+04    1.31048e+04    1.17413e+03   -3.02566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01941e+03    9.31097e+04    3.99195e+05   -2.33739e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65101e+04   -2.44462e+06    4.79493e+05   -1.96513e+06    2.40542e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.07069e+02   -7.28525e+00    5.65073e-06


DD  step 226634999 load imb.: force 18.3%  pme mesh/force 0.772
           Step           Time
      226635000   453270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85222e+03    1.92848e+04    1.30737e+04    1.26476e+03   -3.03399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82053e+03    9.27039e+04    4.03636e+05   -2.34070e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63101e+04   -2.44800e+06    4.81935e+05   -1.96607e+06    2.40548e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12447e+02   -2.07655e+02    9.25618e+01    5.56665e-06


DD  step 226639999 load imb.: force 15.9%  pme mesh/force 0.757
           Step           Time
      226640000   453280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64915e+03    1.96788e+04    1.32126e+04    1.23270e+03   -2.99590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86588e+03    9.27840e+04    4.00684e+05   -2.33941e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63702e+04   -2.44491e+06    4.79391e+05   -1.96551e+06    2.40554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10798e+02   -2.07427e+02    6.72983e+01    5.48615e-06


DD  step 226644999 load imb.: force 16.5%  pme mesh/force 0.793
           Step           Time
      226645000   453290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14449e+03    1.89677e+04    1.30652e+04    1.17433e+03   -3.03501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88464e+03    9.25830e+04    4.00577e+05   -2.32967e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64935e+04   -2.44514e+06    4.80686e+05   -1.96446e+06    2.40560e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11637e+02   -2.05704e+02   -1.58824e+01    5.51830e-06


DD  step 226649999 load imb.: force 19.1%  pme mesh/force 0.759
           Step           Time
      226650000   453300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84134e+03    1.92698e+04    1.29269e+04    1.12167e+03   -3.02570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81968e+03    9.28615e+04    3.99573e+05   -2.33672e+04   -2.98179e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64133e+04   -2.45336e+06    4.78432e+05   -1.97493e+06    2.40566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10176e+02   -2.06950e+02   -1.27748e+02    5.62527e-06


DD  step 226654999 load imb.: force 17.8%  pme mesh/force 0.797
           Step           Time
      226655000   453310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23540e+03    1.94029e+04    1.32199e+04    1.18015e+03   -2.98464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87735e+03    9.25778e+04    3.98720e+05   -2.33956e+04   -2.97417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65540e+04   -2.44578e+06    4.78954e+05   -1.96683e+06    2.40572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10514e+02   -2.07454e+02   -3.01800e+01    5.65204e-06


DD  step 226659999 load imb.: force 17.2%  pme mesh/force 0.798
           Step           Time
      226660000   453320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93446e+03    1.91797e+04    1.30520e+04    1.15495e+03   -2.95493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84839e+03    9.25362e+04    3.98579e+05   -2.33647e+04   -2.97451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63297e+04   -2.44721e+06    4.80332e+05   -1.96688e+06    2.40577e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11408e+02   -2.06906e+02   -5.12170e+01    5.68146e-06

Writing checkpoint, step 226660250 at Wed Nov  8 00:31:28 2023



DD  step 226664999 load imb.: force 15.5%  pme mesh/force 0.705
           Step           Time
      226665000   453330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06226e+03    1.98825e+04    1.30052e+04    1.20664e+03   -2.92037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86246e+03    9.26845e+04    4.02801e+05   -2.33647e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64201e+04   -2.44649e+06    4.81145e+05   -1.96535e+06    2.40583e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11935e+02   -2.06905e+02    5.99581e+01    5.78104e-06


DD  step 226669999 load imb.: force 15.5%  pme mesh/force 0.730
           Step           Time
      226670000   453340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06216e+03    1.94645e+04    1.30056e+04    1.28414e+03   -3.05479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82171e+03    9.23945e+04    3.99741e+05   -2.34185e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66263e+04   -2.44580e+06    4.78822e+05   -1.96697e+06    2.40589e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10429e+02   -2.07859e+02    5.35951e+00    5.60985e-06


DD  step 226674999 load imb.: force 16.3%  pme mesh/force 0.745
           Step           Time
      226675000   453350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02795e+03    1.96476e+04    1.30846e+04    1.13046e+03   -3.04878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02750e+03    9.24488e+04    4.02095e+05   -2.34075e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64572e+04   -2.44633e+06    4.81084e+05   -1.96525e+06    2.40595e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11895e+02   -2.07665e+02    8.50012e+01    5.86237e-06


DD  step 226679999 load imb.: force 15.1%  pme mesh/force 0.717
           Step           Time
      226680000   453360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26968e+03    1.92036e+04    1.29605e+04    1.22703e+03   -3.10619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93157e+03    9.31295e+04    3.96969e+05   -2.33609e+04   -2.97213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65766e+04   -2.44533e+06    4.78558e+05   -1.96677e+06    2.40601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10258e+02   -2.06839e+02   -5.97531e+01    5.71935e-06


DD  step 226684999 load imb.: force 17.7%  pme mesh/force 0.754
           Step           Time
      226685000   453370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91204e+03    1.88861e+04    1.29945e+04    1.21285e+03   -3.08146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94529e+03    9.28776e+04    4.02385e+05   -2.33682e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64161e+04   -2.44652e+06    4.78474e+05   -1.96804e+06    2.40606e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10203e+02   -2.06968e+02    6.95323e+01    5.64232e-06


DD  step 226689999 load imb.: force 16.8%  pme mesh/force 0.750
           Step           Time
      226690000   453380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04380e+03    1.93113e+04    1.28697e+04    1.10740e+03   -3.02680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77637e+03    9.23399e+04    4.01136e+05   -2.33629e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66454e+04   -2.44814e+06    4.80056e+05   -1.96809e+06    2.40612e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11229e+02   -2.06874e+02   -2.57777e+01    5.57631e-06


DD  step 226694999 load imb.: force 18.7%  pme mesh/force 0.787
           Step           Time
      226695000   453390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01851e+03    1.96734e+04    1.29882e+04    1.21109e+03   -3.10615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91606e+03    9.26070e+04    3.98418e+05   -2.34108e+04   -2.97559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65501e+04   -2.44773e+06    4.79099e+05   -1.96863e+06    2.40618e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10608e+02   -2.07722e+02   -2.78748e+01    5.51867e-06


DD  step 226699999 load imb.: force 20.4%  pme mesh/force 0.795
           Step           Time
      226700000   453400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23688e+03    1.96061e+04    1.30228e+04    1.16669e+03   -3.04372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78917e+03    9.29006e+04    4.00260e+05   -2.33540e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64870e+04   -2.44538e+06    4.79948e+05   -1.96543e+06    2.40624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11159e+02   -2.06717e+02   -5.69580e+01    5.59090e-06


DD  step 226704999 load imb.: force 17.9%  pme mesh/force 0.784
           Step           Time
      226705000   453410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03782e+03    1.97489e+04    1.29279e+04    1.17459e+03   -3.05806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67137e+03    9.29345e+04    4.02631e+05   -2.33898e+04   -2.98109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66673e+04   -2.44875e+06    4.80152e+05   -1.96859e+06    2.40629e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.07351e+02    2.70728e+01    5.53132e-06


DD  step 226709999 load imb.: force 19.5%  pme mesh/force 0.802
           Step           Time
      226710000   453420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87481e+03    1.91321e+04    1.33000e+04    1.26145e+03   -3.10570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83411e+03    9.28195e+04    4.01281e+05   -2.33673e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66446e+04   -2.44803e+06    4.78910e+05   -1.96912e+06    2.40635e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10486e+02   -2.06952e+02   -1.92013e+01    5.78219e-06


DD  step 226714999 load imb.: force 19.9%  pme mesh/force 0.785
           Step           Time
      226715000   453430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01092e+03    1.95270e+04    1.29226e+04    1.11082e+03   -3.08046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83646e+03    9.28373e+04    4.00415e+05   -2.33371e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66380e+04   -2.44807e+06    4.80031e+05   -1.96804e+06    2.40641e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.06418e+02   -3.67286e+01    5.67288e-06


DD  step 226719999 load imb.: force 17.6%  pme mesh/force 0.793
           Step           Time
      226720000   453440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03286e+03    1.93541e+04    1.31107e+04    1.19797e+03   -3.01920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89195e+03    9.29558e+04    4.00428e+05   -2.33674e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66909e+04   -2.44710e+06    4.80499e+05   -1.96660e+06    2.40647e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11516e+02   -2.06953e+02   -9.02863e+00    5.76840e-06


DD  step 226724999 load imb.: force 18.6%  pme mesh/force 0.828
           Step           Time
      226725000   453450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07864e+03    1.91257e+04    1.29820e+04    1.12499e+03   -3.02636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80852e+03    9.31739e+04    3.98728e+05   -2.33930e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66914e+04   -2.44775e+06    4.79752e+05   -1.96800e+06    2.40652e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11032e+02   -2.07407e+02   -3.67865e+01    5.66747e-06


DD  step 226729999 load imb.: force 15.4%  pme mesh/force 0.726
           Step           Time
      226730000   453460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07430e+03    1.93924e+04    1.31366e+04    1.14342e+03   -2.94740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83184e+03    9.29347e+04    4.02698e+05   -2.33727e+04   -2.98004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64774e+04   -2.44767e+06    4.80022e+05   -1.96765e+06    2.40658e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.07047e+02    4.76493e+01    5.52081e-06


DD  step 226734999 load imb.: force 16.7%  pme mesh/force 0.821
           Step           Time
      226735000   453470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08727e+03    1.92788e+04    1.30046e+04    1.15940e+03   -2.88107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90398e+03    9.31291e+04    4.00650e+05   -2.33906e+04   -2.98130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65274e+04   -2.45083e+06    4.81379e+05   -1.96946e+06    2.40664e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12086e+02   -2.07365e+02   -3.68383e+01    5.70683e-06


DD  step 226739999 load imb.: force 17.6%  pme mesh/force 0.770
           Step           Time
      226740000   453480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11899e+03    1.92994e+04    1.31152e+04    1.20969e+03   -2.90748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81786e+03    9.28076e+04    4.01409e+05   -2.33671e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62682e+04   -2.44751e+06    4.82204e+05   -1.96531e+06    2.40669e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12621e+02   -2.06948e+02    1.32220e+01    5.62246e-06


DD  step 226744999 load imb.: force 21.9%  pme mesh/force 0.814
           Step           Time
      226745000   453490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03626e+03    1.93570e+04    1.29865e+04    1.18023e+03   -3.02892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91568e+03    9.26067e+04    4.00464e+05   -2.34263e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64841e+04   -2.44934e+06    4.80247e+05   -1.96909e+06    2.40675e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11353e+02   -2.07997e+02    2.93664e+01    5.49619e-06


DD  step 226749999 load imb.: force 16.7%  pme mesh/force 0.769
           Step           Time
      226750000   453500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93378e+03    1.94051e+04    1.32206e+04    1.17903e+03   -2.96325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86880e+03    9.28758e+04    4.01557e+05   -2.33810e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64668e+04   -2.44752e+06    4.78174e+05   -1.96934e+06    2.40682e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10008e+02   -2.07195e+02    2.02811e+01    5.42283e-06


DD  step 226754999 load imb.: force 20.2%  pme mesh/force 0.828
           Step           Time
      226755000   453510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92406e+03    1.94949e+04    1.32169e+04    1.20599e+03   -3.02522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94581e+03    9.24209e+04    3.99808e+05   -2.33901e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66665e+04   -2.44579e+06    4.81346e+05   -1.96444e+06    2.40687e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.07356e+02   -9.04558e+00    5.65631e-06


DD  step 226759999 load imb.: force 16.5%  pme mesh/force 0.778
           Step           Time
      226760000   453520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93891e+03    1.98501e+04    1.32410e+04    1.10984e+03   -2.99383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85650e+03    9.27323e+04    4.04593e+05   -2.34001e+04   -2.98194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66251e+04   -2.44739e+06    4.78299e+05   -1.96909e+06    2.40694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10090e+02   -2.07533e+02    1.40878e+02    5.64502e-06


DD  step 226764999 load imb.: force 18.6%  pme mesh/force 0.788
           Step           Time
      226765000   453530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10676e+03    1.94821e+04    1.32507e+04    1.14798e+03   -3.09233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85398e+03    9.31102e+04    4.00772e+05   -2.33443e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65420e+04   -2.44560e+06    4.79356e+05   -1.96624e+06    2.40699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.06545e+02    1.82091e+01    5.64509e-06


DD  step 226769999 load imb.: force 16.2%  pme mesh/force 0.799
           Step           Time
      226770000   453540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04038e+03    1.94008e+04    1.31121e+04    1.18522e+03   -2.99504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84578e+03    9.28766e+04    3.99214e+05   -2.33932e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63896e+04   -2.44695e+06    4.78197e+05   -1.96875e+06    2.40705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10024e+02   -2.07411e+02   -3.79821e+01    5.50914e-06


DD  step 226774999 load imb.: force 16.4%  pme mesh/force 0.786
           Step           Time
      226775000   453550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09554e+03    1.89904e+04    1.31785e+04    1.26139e+03   -3.09361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83087e+03    9.26550e+04    4.03141e+05   -2.33606e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68594e+04   -2.44742e+06    4.80814e+05   -1.96660e+06    2.40710e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11720e+02   -2.06834e+02    3.53302e+01    5.73112e-06


DD  step 226779999 load imb.: force 17.2%  pme mesh/force 0.765
           Step           Time
      226780000   453560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93898e+03    1.93328e+04    1.31045e+04    1.12776e+03   -3.03825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75358e+03    9.28481e+04    4.03968e+05   -2.34059e+04   -2.98213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64877e+04   -2.44901e+06    4.77543e+05   -1.97147e+06    2.40716e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09599e+02   -2.07635e+02    8.01718e+01    5.58368e-06


DD  step 226784999 load imb.: force 19.3%  pme mesh/force 0.822
           Step           Time
      226785000   453570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01125e+03    1.92477e+04    1.32200e+04    1.23689e+03   -3.07038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80082e+03    9.31733e+04    3.99218e+05   -2.33803e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64115e+04   -2.44584e+06    4.80964e+05   -1.96488e+06    2.40722e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.07182e+02   -1.14535e+01    5.79605e-06


DD  step 226789999 load imb.: force 16.0%  pme mesh/force 0.744
           Step           Time
      226790000   453580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76623e+03    1.94635e+04    1.29810e+04    1.16783e+03   -2.91436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90285e+03    9.33217e+04    4.00003e+05   -2.33937e+04   -2.97521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66634e+04   -2.44525e+06    4.80486e+05   -1.96476e+06    2.40727e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11508e+02   -2.07419e+02    5.58275e+01    5.57857e-06


DD  step 226794999 load imb.: force 16.2%  pme mesh/force 0.761
           Step           Time
      226795000   453590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88838e+03    1.95355e+04    1.29857e+04    1.15176e+03   -2.94407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86160e+03    9.33577e+04    3.99145e+05   -2.33672e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63490e+04   -2.44718e+06    4.83193e+05   -1.96398e+06    2.40733e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13262e+02   -2.06951e+02   -2.53403e+01    5.83310e-06


DD  step 226799999 load imb.: force 17.4%  pme mesh/force 0.775
           Step           Time
      226800000   453600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08356e+03    1.93802e+04    1.31487e+04    1.18342e+03   -3.00999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80126e+03    9.31285e+04    4.00062e+05   -2.33807e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63500e+04   -2.44714e+06    4.79502e+05   -1.96763e+06    2.40739e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10870e+02   -2.07189e+02   -2.88591e+01    5.68514e-06


DD  step 226804999 load imb.: force 15.9%  pme mesh/force 0.769
           Step           Time
      226805000   453610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26759e+03    1.93402e+04    1.29851e+04    1.20769e+03   -3.09964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83228e+03    9.32166e+04    4.00829e+05   -2.34311e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66833e+04   -2.44720e+06    4.81425e+05   -1.96577e+06    2.40745e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12117e+02   -2.08082e+02    5.86307e+01    5.74042e-06


DD  step 226809999 load imb.: force 16.7%  pme mesh/force 0.799
           Step           Time
      226810000   453620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89587e+03    1.95663e+04    1.31286e+04    1.25960e+03   -3.01715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78891e+03    9.26574e+04    4.01637e+05   -2.33888e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65835e+04   -2.44899e+06    4.79627e+05   -1.96936e+06    2.40750e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.07333e+02    1.05001e+01    5.65110e-06


DD  step 226814999 load imb.: force 16.1%  pme mesh/force 0.775
           Step           Time
      226815000   453630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07371e+03    1.94778e+04    1.30110e+04    1.10091e+03   -3.03972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79912e+03    9.31056e+04    4.01183e+05   -2.34289e+04   -2.97927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65818e+04   -2.44841e+06    4.78830e+05   -1.96958e+06    2.40757e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.08044e+02    3.07310e+01    5.62462e-06


DD  step 226819999 load imb.: force 16.1%  pme mesh/force 0.802
           Step           Time
      226820000   453640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83041e+03    1.94290e+04    1.30836e+04    1.14262e+03   -3.01651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84158e+03    9.26718e+04    4.04323e+05   -2.33803e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66880e+04   -2.44651e+06    4.79642e+05   -1.96687e+06    2.40762e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10961e+02   -2.07182e+02    1.80866e+02    5.68916e-06


DD  step 226824999 load imb.: force 18.2%  pme mesh/force 0.750
           Step           Time
      226825000   453650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00548e+03    1.95537e+04    1.29568e+04    1.14388e+03   -2.93150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80606e+03    9.26932e+04    4.00143e+05   -2.33305e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66161e+04   -2.44524e+06    4.77573e+05   -1.96766e+06    2.40768e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09619e+02   -2.06302e+02   -2.91111e+01    5.83016e-06


DD  step 226829999 load imb.: force 18.3%  pme mesh/force 0.826
           Step           Time
      226830000   453660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03826e+03    1.91641e+04    1.30505e+04    1.20684e+03   -2.98697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84948e+03    9.29305e+04    3.99856e+05   -2.33972e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63004e+04   -2.44834e+06    4.78569e+05   -1.96977e+06    2.40774e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10265e+02   -2.07482e+02   -7.32304e+01    5.78053e-06


DD  step 226834999 load imb.: force 16.6%  pme mesh/force 0.784
           Step           Time
      226835000   453670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10023e+03    1.93256e+04    1.30605e+04    1.08019e+03   -2.88100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80545e+03    9.27394e+04    3.99801e+05   -2.33705e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67129e+04   -2.44803e+06    4.79071e+05   -1.96896e+06    2.40780e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10590e+02   -2.07009e+02   -3.51095e+01    5.68966e-06


DD  step 226839999 load imb.: force 18.8%  pme mesh/force 0.799
           Step           Time
      226840000   453680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99314e+03    1.91546e+04    1.30644e+04    1.17630e+03   -2.89799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85576e+03    9.23412e+04    3.99704e+05   -2.33507e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63142e+04   -2.44760e+06    4.79723e+05   -1.96787e+06    2.40785e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11013e+02   -2.06659e+02   -5.70725e+01    5.74597e-06


DD  step 226844999 load imb.: force 17.9%  pme mesh/force 0.771
           Step           Time
      226845000   453690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86581e+03    1.92050e+04    1.31797e+04    1.18077e+03   -2.97574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85575e+03    9.30373e+04    4.01076e+05   -2.33775e+04   -2.97979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64486e+04   -2.44930e+06    4.79351e+05   -1.96994e+06    2.40791e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10772e+02   -2.07132e+02    7.41313e+00    5.75809e-06


DD  step 226849999 load imb.: force 17.2%  pme mesh/force 0.793
           Step           Time
      226850000   453700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10533e+03    1.91844e+04    1.29756e+04    1.21662e+03   -3.00150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95027e+03    9.29052e+04    3.98853e+05   -2.33663e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66136e+04   -2.44526e+06    4.78512e+05   -1.96675e+06    2.40797e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10228e+02   -2.06935e+02   -3.41473e+01    5.68364e-06


DD  step 226854999 load imb.: force 19.2%  pme mesh/force 0.774
           Step           Time
      226855000   453710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05827e+03    1.93168e+04    1.30826e+04    1.19774e+03   -3.04633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85938e+03    9.34807e+04    3.98397e+05   -2.33824e+04   -2.97277e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64938e+04   -2.44431e+06    4.79921e+05   -1.96439e+06    2.40803e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11141e+02   -2.07220e+02   -3.96816e+01    5.79909e-06


DD  step 226859999 load imb.: force 17.8%  pme mesh/force 0.821
           Step           Time
      226860000   453720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06630e+03    1.91629e+04    1.28457e+04    1.09347e+03   -2.97791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84364e+03    9.33673e+04    4.00259e+05   -2.33773e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64029e+04   -2.44892e+06    4.79545e+05   -1.96938e+06    2.40808e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10898e+02   -2.07128e+02   -2.80215e+01    5.86827e-06


DD  step 226864999 load imb.: force 17.8%  pme mesh/force 0.845
           Step           Time
      226865000   453730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01596e+03    1.94229e+04    1.29404e+04    1.14224e+03   -3.05277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86589e+03    9.33687e+04    4.01061e+05   -2.34069e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67031e+04   -2.44654e+06    4.78483e+05   -1.96805e+06    2.40814e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10209e+02   -2.07653e+02    4.17834e+01    5.75934e-06


DD  step 226869999 load imb.: force 15.2%  pme mesh/force 0.732
           Step           Time
      226870000   453740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97968e+03    1.92382e+04    1.29794e+04    1.25664e+03   -3.06346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85629e+03    9.31989e+04    4.03018e+05   -2.34336e+04   -2.98256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64683e+04   -2.45006e+06    4.79929e+05   -1.97013e+06    2.40820e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11147e+02   -2.08126e+02    1.13177e+02    5.73247e-06


DD  step 226874999 load imb.: force 18.7%  pme mesh/force 0.785
           Step           Time
      226875000   453750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98965e+03    1.93996e+04    1.32302e+04    1.22270e+03   -3.04559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76110e+03    9.32685e+04    4.00828e+05   -2.33268e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67309e+04   -2.44449e+06    4.79114e+05   -1.96537e+06    2.40826e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10618e+02   -2.06237e+02   -4.16197e+01    5.83586e-06


DD  step 226879999 load imb.: force 16.7%  pme mesh/force 0.746
           Step           Time
      226880000   453760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84125e+03    1.93948e+04    1.30232e+04    1.16741e+03   -2.94419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84767e+03    9.34586e+04    4.00010e+05   -2.32872e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65996e+04   -2.44570e+06    4.79785e+05   -1.96592e+06    2.40831e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11053e+02   -2.05537e+02   -3.09410e+01    5.77285e-06


DD  step 226884999 load imb.: force 15.9%  pme mesh/force 0.766
           Step           Time
      226885000   453770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93149e+03    1.95697e+04    1.33060e+04    1.19926e+03   -3.11147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81066e+03    9.29950e+04    4.00104e+05   -2.34029e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65567e+04   -2.44716e+06    4.80794e+05   -1.96637e+06    2.40837e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11708e+02   -2.07583e+02   -9.59969e+00    5.70176e-06


DD  step 226889999 load imb.: force 15.6%  pme mesh/force 0.751
           Step           Time
      226890000   453780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90431e+03    1.95662e+04    1.30311e+04    1.15815e+03   -3.13895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83197e+03    9.24270e+04    4.00458e+05   -2.34300e+04   -2.98155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64382e+04   -2.45230e+06    4.80230e+05   -1.97207e+06    2.40843e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.08062e+02   -8.42065e+00    5.59289e-06


DD  step 226894999 load imb.: force 16.0%  pme mesh/force 0.753
           Step           Time
      226895000   453790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99244e+03    1.96390e+04    1.29299e+04    1.06878e+03   -3.01496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91126e+03    9.25677e+04    4.02975e+05   -2.34126e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65145e+04   -2.44714e+06    4.80254e+05   -1.96689e+06    2.40849e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.07754e+02    1.10892e+02    5.54873e-06


DD  step 226899999 load imb.: force 18.1%  pme mesh/force 0.775
           Step           Time
      226900000   453800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29189e+03    1.89609e+04    1.31285e+04    1.14334e+03   -3.08044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79531e+03    9.28554e+04    4.02572e+05   -2.33575e+04   -2.98013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66258e+04   -2.44819e+06    4.80538e+05   -1.96765e+06    2.40854e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.06778e+02    1.74697e+01    5.69801e-06


DD  step 226904999 load imb.: force 18.6%  pme mesh/force 0.801
           Step           Time
      226905000   453810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87593e+03    1.92006e+04    1.29387e+04    1.19804e+03   -2.94758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81878e+03    9.33365e+04    4.01351e+05   -2.34008e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65581e+04   -2.44751e+06    4.81914e+05   -1.96559e+06    2.40860e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12434e+02   -2.07546e+02    7.28366e+01    5.72964e-06


DD  step 226909999 load imb.: force 17.3%  pme mesh/force 0.753
           Step           Time
      226910000   453820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84369e+03    1.96588e+04    1.29111e+04    1.17781e+03   -3.00289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81137e+03    9.29143e+04    3.98307e+05   -2.34081e+04   -2.97512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66409e+04   -2.44727e+06    4.78729e+05   -1.96854e+06    2.40866e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.07674e+02   -3.76271e+01    5.79891e-06


DD  step 226914999 load imb.: force 15.7%  pme mesh/force 0.756
           Step           Time
      226915000   453830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85222e+03    1.98163e+04    1.30039e+04    1.15176e+03   -3.04599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78906e+03    9.29174e+04    4.00930e+05   -2.34054e+04   -2.98165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64137e+04   -2.45123e+06    4.80676e+05   -1.97055e+06    2.40872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11631e+02   -2.07627e+02   -8.97308e-01    5.74878e-06


DD  step 226919999 load imb.: force 16.3%  pme mesh/force 0.756
           Step           Time
      226920000   453840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88763e+03    1.93222e+04    1.30619e+04    1.09304e+03   -3.08978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88238e+03    9.30929e+04    4.00719e+05   -2.33888e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64715e+04   -2.44680e+06    4.80303e+05   -1.96650e+06    2.40877e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.07332e+02    3.45359e+01    5.63028e-06


DD  step 226924999 load imb.: force 19.0%  pme mesh/force 0.796
           Step           Time
      226925000   453850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13907e+03    1.93227e+04    1.31563e+04    1.13935e+03   -2.93395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86191e+03    9.29162e+04    3.99763e+05   -2.33617e+04   -2.97312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65454e+04   -2.44357e+06    4.80469e+05   -1.96310e+06    2.40884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11496e+02   -2.06852e+02   -2.45403e+00    5.57029e-06


DD  step 226929999 load imb.: force 16.0%  pme mesh/force 0.736
           Step           Time
      226930000   453860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86132e+03    1.91585e+04    1.30525e+04    1.14543e+03   -2.95462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89238e+03    9.31592e+04    4.00577e+05   -2.34268e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64547e+04   -2.44734e+06    4.79190e+05   -1.96815e+06    2.40889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.08006e+02    1.25609e+01    5.57140e-06


DD  step 226934999 load imb.: force 15.6%  pme mesh/force 0.755
           Step           Time
      226935000   453870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96995e+03    1.95650e+04    1.31571e+04    1.10411e+03   -2.97781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94186e+03    9.23323e+04    4.03132e+05   -2.34229e+04   -2.98018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64740e+04   -2.44790e+06    4.79486e+05   -1.96842e+06    2.40895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.07936e+02    1.02853e+02    5.67058e-06


DD  step 226939999 load imb.: force 18.0%  pme mesh/force 0.798
           Step           Time
      226940000   453880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04619e+03    1.93356e+04    1.30893e+04    1.12572e+03   -3.06264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89466e+03    9.20884e+04    4.00773e+05   -2.34039e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68115e+04   -2.44917e+06    4.80323e+05   -1.96885e+06    2.40900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11402e+02   -2.07600e+02   -4.52342e+00    5.53572e-06


DD  step 226944999 load imb.: force 18.3%  pme mesh/force 0.801
           Step           Time
      226945000   453890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20835e+03    1.93930e+04    1.31183e+04    1.17711e+03   -3.16752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83322e+03    9.21051e+04    4.00750e+05   -2.34130e+04   -2.97875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64692e+04   -2.44928e+06    4.78698e+05   -1.97058e+06    2.40906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10348e+02   -2.07761e+02   -9.09265e+00    5.54343e-06


DD  step 226949999 load imb.: force 18.5%  pme mesh/force 0.782
           Step           Time
      226950000   453900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88634e+03    1.96100e+04    1.30686e+04    1.18958e+03   -2.97105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82869e+03    9.22485e+04    4.00209e+05   -2.33548e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66528e+04   -2.44629e+06    4.80154e+05   -1.96614e+06    2.40912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11293e+02   -2.06732e+02   -1.89287e+01    5.48728e-06


DD  step 226954999 load imb.: force 16.2%  pme mesh/force 0.745
           Step           Time
      226955000   453910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89318e+03    1.91549e+04    1.30817e+04    1.13054e+03   -2.98705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79664e+03    9.22778e+04    3.99152e+05   -2.33426e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66212e+04   -2.44732e+06    4.78392e+05   -1.96893e+06    2.40918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10150e+02   -2.06516e+02   -8.26183e+01    5.59011e-06


DD  step 226959999 load imb.: force 16.2%  pme mesh/force 0.778
           Step           Time
      226960000   453920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90956e+03    1.95723e+04    1.31416e+04    1.22378e+03   -3.01296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93284e+03    9.25901e+04    3.99741e+05   -2.33871e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63838e+04   -2.44680e+06    4.81285e+05   -1.96552e+06    2.40923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12025e+02   -2.07302e+02    3.73358e+00    5.63206e-06


DD  step 226964999 load imb.: force 17.1%  pme mesh/force 0.778
           Step           Time
      226965000   453930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74901e+03    1.92527e+04    1.29978e+04    1.21625e+03   -3.07372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81784e+03    9.24583e+04    4.02911e+05   -2.34072e+04   -2.98191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63770e+04   -2.45061e+06    4.77838e+05   -1.97277e+06    2.40930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09791e+02   -2.07659e+02    7.06864e+01    5.64506e-06


DD  step 226969999 load imb.: force 16.8%  pme mesh/force 0.785
           Step           Time
      226970000   453940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92850e+03    1.93827e+04    1.30360e+04    1.23065e+03   -2.99651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79852e+03    9.27730e+04    4.01447e+05   -2.33842e+04   -2.98008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62257e+04   -2.44964e+06    4.79771e+05   -1.96987e+06    2.40935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11044e+02   -2.07252e+02   -2.48920e+01    5.64520e-06


DD  step 226974999 load imb.: force 14.4%  pme mesh/force 0.765
           Step           Time
      226975000   453950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05834e+03    1.95813e+04    1.30443e+04    1.12048e+03   -2.95131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91332e+03    9.20838e+04    3.99860e+05   -2.34025e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64659e+04   -2.44929e+06    4.78615e+05   -1.97067e+06    2.40941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10294e+02   -2.07576e+02   -6.03803e+01    5.65436e-06


DD  step 226979999 load imb.: force 15.9%  pme mesh/force 0.774
           Step           Time
      226980000   453960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96009e+03    1.92032e+04    1.31044e+04    1.15633e+03   -3.12096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99061e+03    9.27525e+04    3.99945e+05   -2.33667e+04   -2.97366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63964e+04   -2.44464e+06    4.81346e+05   -1.96329e+06    2.40947e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.06942e+02    4.66739e+01    5.84309e-06


DD  step 226984999 load imb.: force 15.8%  pme mesh/force 0.735
           Step           Time
      226985000   453970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90449e+03    1.95578e+04    1.30494e+04    1.25643e+03   -3.01355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93406e+03    9.26206e+04    3.99267e+05   -2.33257e+04   -2.97407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66133e+04   -2.44521e+06    4.82065e+05   -1.96314e+06    2.40953e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12531e+02   -2.06217e+02   -6.72916e+01    5.72670e-06

Writing checkpoint, step 226989150 at Wed Nov  8 00:46:28 2023



DD  step 226989999 load imb.: force 16.0%  pme mesh/force 0.794
           Step           Time
      226990000   453980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13532e+03    1.91026e+04    1.28782e+04    1.12440e+03   -3.04527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83733e+03    9.27254e+04    4.02539e+05   -2.33091e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67360e+04   -2.44637e+06    4.79516e+05   -1.96686e+06    2.40959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.05923e+02    2.69516e+01    5.67128e-06


DD  step 226994999 load imb.: force 18.3%  pme mesh/force 0.750
           Step           Time
      226995000   453990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18120e+03    1.95944e+04    1.31180e+04    1.12062e+03   -2.95347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69242e+03    9.27202e+04    4.00314e+05   -2.34295e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65733e+04   -2.44740e+06    4.79538e+05   -1.96786e+06    2.40965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10893e+02   -2.08054e+02   -1.97041e+01    5.49392e-06


DD  step 226999999 load imb.: force 15.4%  pme mesh/force 0.736
           Step           Time
      227000000   454000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82668e+03    1.93289e+04    1.30435e+04    1.21082e+03   -2.95083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83810e+03    9.26311e+04    3.99861e+05   -2.34247e+04   -2.97916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64557e+04   -2.45033e+06    4.80592e+05   -1.96974e+06    2.40971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11577e+02   -2.07968e+02   -3.26925e+01    5.70607e-06


DD  step 227004999 load imb.: force 16.4%  pme mesh/force 0.745
           Step           Time
      227005000   454010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86947e+03    1.90847e+04    1.31494e+04    1.26026e+03   -2.90915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91037e+03    9.26776e+04    4.01605e+05   -2.33532e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64854e+04   -2.44808e+06    4.78920e+05   -1.96916e+06    2.40976e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10493e+02   -2.06702e+02    3.27831e+01    5.79031e-06


DD  step 227009999 load imb.: force 18.5%  pme mesh/force 0.763
           Step           Time
      227010000   454020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78086e+03    1.93340e+04    1.31285e+04    1.25655e+03   -3.03424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78666e+03    9.27361e+04    3.98983e+05   -2.33619e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66722e+04   -2.44859e+06    4.78653e+05   -1.96994e+06    2.40982e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10319e+02   -2.06857e+02   -1.07675e+02    5.72101e-06


DD  step 227014999 load imb.: force 14.2%  pme mesh/force 0.709
           Step           Time
      227015000   454030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85002e+03    1.93742e+04    1.31249e+04    1.18889e+03   -3.03835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88320e+03    9.20965e+04    4.01776e+05   -2.34118e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66326e+04   -2.44791e+06    4.78942e+05   -1.96897e+06    2.40988e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10507e+02   -2.07740e+02    5.12469e+01    5.57752e-06


DD  step 227019999 load imb.: force 17.1%  pme mesh/force 0.753
           Step           Time
      227020000   454040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08226e+03    1.92837e+04    1.30027e+04    1.17588e+03   -3.01223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72585e+03    9.22813e+04    3.99725e+05   -2.33808e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64256e+04   -2.44695e+06    4.81059e+05   -1.96589e+06    2.40993e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11879e+02   -2.07191e+02   -5.03717e+01    5.76032e-06


DD  step 227024999 load imb.: force 15.4%  pme mesh/force 0.789
           Step           Time
      227025000   454050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15931e+03    1.91773e+04    1.30905e+04    1.16876e+03   -3.02552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80904e+03    9.25674e+04    3.99966e+05   -2.33664e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63822e+04   -2.44775e+06    4.79094e+05   -1.96865e+06    2.41000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.06937e+02   -5.35980e+00    5.54271e-06


DD  step 227029999 load imb.: force 16.5%  pme mesh/force 0.796
           Step           Time
      227030000   454060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98687e+03    1.92562e+04    1.28599e+04    1.15771e+03   -2.89925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79868e+03    9.29316e+04    4.01265e+05   -2.33422e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67572e+04   -2.44602e+06    4.79404e+05   -1.96662e+06    2.41006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10806e+02   -2.06508e+02    3.77064e+01    5.68170e-06


DD  step 227034999 load imb.: force 16.4%  pme mesh/force 0.773
           Step           Time
      227035000   454070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88854e+03    1.96269e+04    1.30474e+04    1.16701e+03   -3.00280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85957e+03    9.23359e+04    3.99713e+05   -2.33893e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65737e+04   -2.44687e+06    4.78780e+05   -1.96809e+06    2.41011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10402e+02   -2.07341e+02   -2.03088e+01    5.78208e-06


DD  step 227039999 load imb.: force 17.8%  pme mesh/force 0.790
           Step           Time
      227040000   454080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22945e+03    1.90392e+04    1.29769e+04    1.15480e+03   -2.99545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88124e+03    9.22592e+04    3.99270e+05   -2.33353e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64509e+04   -2.44604e+06    4.77543e+05   -1.96849e+06    2.41017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09599e+02   -2.06387e+02   -3.80146e+01    5.84381e-06


DD  step 227044999 load imb.: force 16.1%  pme mesh/force 0.754
           Step           Time
      227045000   454090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94718e+03    1.95793e+04    1.30477e+04    1.14275e+03   -2.92756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83170e+03    9.27836e+04    4.00498e+05   -2.33900e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66033e+04   -2.44798e+06    4.81391e+05   -1.96659e+06    2.41023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12094e+02   -2.07354e+02   -2.00472e+01    5.67469e-06


DD  step 227049999 load imb.: force 18.0%  pme mesh/force 0.804
           Step           Time
      227050000   454100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03029e+03    1.90934e+04    1.32389e+04    1.30058e+03   -3.17693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83160e+03    9.24560e+04    4.01056e+05   -2.33722e+04   -2.97558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66909e+04   -2.44543e+06    4.78681e+05   -1.96675e+06    2.41029e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10337e+02   -2.07038e+02    5.39751e+01    5.79055e-06


DD  step 227054999 load imb.: force 16.9%  pme mesh/force 0.793
           Step           Time
      227055000   454110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14012e+03    1.95978e+04    1.31440e+04    1.15205e+03   -3.07221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81372e+03    9.21264e+04    4.00137e+05   -2.34077e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64925e+04   -2.44621e+06    4.81884e+05   -1.96433e+06    2.41034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12414e+02   -2.07667e+02   -3.10560e+01    5.73944e-06


DD  step 227059999 load imb.: force 17.4%  pme mesh/force 0.795
           Step           Time
      227060000   454120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82727e+03    1.90905e+04    1.31413e+04    1.21361e+03   -3.01146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80287e+03    9.27564e+04    3.99324e+05   -2.33859e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62696e+04   -2.44966e+06    4.80970e+05   -1.96869e+06    2.41040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11822e+02   -2.07281e+02   -7.72964e+01    5.81235e-06


DD  step 227064999 load imb.: force 17.3%  pme mesh/force 0.807
           Step           Time
      227065000   454130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12502e+03    1.95659e+04    1.31948e+04    1.24685e+03   -3.08516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85770e+03    9.25081e+04    4.03413e+05   -2.33860e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66031e+04   -2.44404e+06    4.79864e+05   -1.96418e+06    2.41047e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11105e+02   -2.07283e+02    1.15492e+02    5.72551e-06


DD  step 227069999 load imb.: force 16.5%  pme mesh/force 0.755
           Step           Time
      227070000   454140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02234e+03    1.94125e+04    1.29321e+04    1.16803e+03   -3.02735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86104e+03    9.22536e+04    3.97384e+05   -2.33763e+04   -2.97189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65325e+04   -2.44573e+06    4.79935e+05   -1.96579e+06    2.41053e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.07111e+02   -6.78341e+01    5.80425e-06


DD  step 227074999 load imb.: force 17.8%  pme mesh/force 0.784
           Step           Time
      227075000   454150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27930e+03    1.96965e+04    1.30810e+04    1.20224e+03   -2.97744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78204e+03    9.23586e+04    4.06278e+05   -2.34204e+04   -2.98584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64640e+04   -2.45009e+06    4.79866e+05   -1.97023e+06    2.41058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11106e+02   -2.07893e+02    1.14789e+02    5.55792e-06


DD  step 227079999 load imb.: force 18.2%  pme mesh/force 0.761
           Step           Time
      227080000   454160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11292e+03    1.91565e+04    1.30107e+04    1.19167e+03   -3.05754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85002e+03    9.31721e+04    4.01415e+05   -2.33727e+04   -2.97706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64437e+04   -2.44614e+06    4.77492e+05   -1.96865e+06    2.41064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09566e+02   -2.07047e+02    1.97797e+01    5.74352e-06


DD  step 227084999 load imb.: force 16.1%  pme mesh/force 0.787
           Step           Time
      227085000   454170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08959e+03    1.92308e+04    1.33130e+04    1.16640e+03   -3.03848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89396e+03    9.26202e+04    3.98487e+05   -2.34025e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67605e+04   -2.45002e+06    4.81083e+05   -1.96894e+06    2.41069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11895e+02   -2.07575e+02   -1.00402e+02    5.67739e-06


DD  step 227089999 load imb.: force 19.4%  pme mesh/force 0.789
           Step           Time
      227090000   454180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87953e+03    1.92657e+04    1.31965e+04    1.17381e+03   -2.99432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84637e+03    9.24530e+04    4.01374e+05   -2.33867e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62051e+04   -2.44811e+06    4.79792e+05   -1.96832e+06    2.41075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11058e+02   -2.07295e+02    2.06126e+01    5.76337e-06


DD  step 227094999 load imb.: force 16.5%  pme mesh/force 0.794
           Step           Time
      227095000   454190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06955e+03    1.94359e+04    1.31370e+04    1.24366e+03   -2.94122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87885e+03    9.29846e+04    4.02403e+05   -2.33854e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65626e+04   -2.44373e+06    4.80730e+05   -1.96300e+06    2.41081e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11666e+02   -2.07273e+02    9.34521e+01    5.61760e-06


DD  step 227099999 load imb.: force 20.2%  pme mesh/force 0.805
           Step           Time
      227100000   454200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03083e+03    1.89384e+04    1.31191e+04    1.11190e+03   -3.01869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82068e+03    9.27333e+04    3.97750e+05   -2.33445e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67061e+04   -2.44782e+06    4.76616e+05   -1.97120e+06    2.41087e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08999e+02   -2.06548e+02   -1.10765e+02    5.58767e-06


DD  step 227104999 load imb.: force 17.4%  pme mesh/force 0.749
           Step           Time
      227105000   454210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98400e+03    1.94113e+04    1.29317e+04    1.18940e+03   -2.94159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85189e+03    9.30927e+04    4.00762e+05   -2.34011e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64175e+04   -2.44712e+06    4.78327e+05   -1.96880e+06    2.41093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10108e+02   -2.07550e+02    4.64571e+01    5.80671e-06


DD  step 227109999 load imb.: force 18.1%  pme mesh/force 0.765
           Step           Time
      227110000   454220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84133e+03    1.99076e+04    1.29293e+04    1.22951e+03   -3.01209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88614e+03    9.25501e+04    4.01287e+05   -2.33781e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65190e+04   -2.44458e+06    4.79777e+05   -1.96481e+06    2.41098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11048e+02   -2.07143e+02    6.62522e+01    5.52492e-06


DD  step 227114999 load imb.: force 14.0%  pme mesh/force 0.748
           Step           Time
      227115000   454230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93763e+03    1.91750e+04    1.29591e+04    1.09711e+03   -3.01906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98708e+03    9.28686e+04    4.01218e+05   -2.34155e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64704e+04   -2.44870e+06    4.78325e+05   -1.97038e+06    2.41104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10107e+02   -2.07807e+02    3.23395e+01    5.51227e-06


DD  step 227119999 load imb.: force 17.6%  pme mesh/force 0.789
           Step           Time
      227120000   454240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24092e+03    1.94530e+04    1.31243e+04    1.26655e+03   -3.06705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72887e+03    9.27379e+04    4.00345e+05   -2.33808e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64095e+04   -2.44852e+06    4.80480e+05   -1.96804e+06    2.41110e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11504e+02   -2.07191e+02   -4.12053e+01    5.60236e-06


DD  step 227124999 load imb.: force 17.7%  pme mesh/force 0.787
           Step           Time
      227125000   454250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00743e+03    1.90774e+04    1.28839e+04    1.10554e+03   -3.04255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95224e+03    9.33783e+04    4.01168e+05   -2.33419e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65916e+04   -2.44787e+06    4.78154e+05   -1.96972e+06    2.41116e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09996e+02   -2.06503e+02    4.46398e+01    5.76367e-06


DD  step 227129999 load imb.: force 18.7%  pme mesh/force 0.790
           Step           Time
      227130000   454260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98089e+03    1.95951e+04    1.31626e+04    1.21997e+03   -3.09115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82476e+03    9.28377e+04    3.98809e+05   -2.33499e+04   -2.97132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65859e+04   -2.44275e+06    4.78068e+05   -1.96468e+06    2.41122e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09940e+02   -2.06644e+02   -1.90783e+01    5.66434e-06


DD  step 227134999 load imb.: force 18.3%  pme mesh/force 0.777
           Step           Time
      227135000   454270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75068e+03    1.94421e+04    1.32468e+04    1.16909e+03   -3.07137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98557e+03    9.28341e+04    3.99619e+05   -2.33800e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68550e+04   -2.44529e+06    4.79620e+05   -1.96567e+06    2.41127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.07177e+02    3.23804e+01    5.69416e-06


DD  step 227139999 load imb.: force 17.7%  pme mesh/force 0.812
           Step           Time
      227140000   454280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03390e+03    1.96080e+04    1.32397e+04    1.25989e+03   -3.12538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92681e+03    9.32902e+04    4.02006e+05   -2.34316e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64773e+04   -2.44690e+06    4.79808e+05   -1.96709e+06    2.41133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.08091e+02    5.97921e+01    5.79046e-06


DD  step 227144999 load imb.: force 17.7%  pme mesh/force 0.768
           Step           Time
      227145000   454290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80400e+03    1.92029e+04    1.30547e+04    1.11874e+03   -2.98300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86523e+03    9.34262e+04    3.99268e+05   -2.33967e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63926e+04   -2.44888e+06    4.78870e+05   -1.97001e+06    2.41139e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10460e+02   -2.07473e+02   -2.66328e+01    5.61503e-06


DD  step 227149999 load imb.: force 16.4%  pme mesh/force 0.796
           Step           Time
      227150000   454300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04334e+03    1.92617e+04    1.28390e+04    1.17867e+03   -3.07984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90177e+03    9.33177e+04    3.98326e+05   -2.33663e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66167e+04   -2.44868e+06    4.79146e+05   -1.96954e+06    2.41145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.06934e+02   -5.94850e+01    5.80162e-06


DD  step 227154999 load imb.: force 18.2%  pme mesh/force 0.796
           Step           Time
      227155000   454310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08534e+03    1.95448e+04    1.29299e+04    1.06865e+03   -3.02424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75203e+03    9.31492e+04    4.01558e+05   -2.34199e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66048e+04   -2.44774e+06    4.78756e+05   -1.96898e+06    2.41151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.07884e+02    1.86528e+01    5.72749e-06


DD  step 227159999 load imb.: force 17.8%  pme mesh/force 0.756
           Step           Time
      227160000   454320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91992e+03    1.91464e+04    1.31716e+04    1.14603e+03   -3.05134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97142e+03    9.32024e+04    3.99332e+05   -2.33369e+04   -2.97518e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64914e+04   -2.44619e+06    4.77721e+05   -1.96847e+06    2.41157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09715e+02   -2.06414e+02   -1.29557e+01    5.59360e-06


DD  step 227164999 load imb.: force 14.7%  pme mesh/force 0.715
           Step           Time
      227165000   454330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15926e+03    1.94671e+04    1.31838e+04    1.15026e+03   -3.13013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99236e+03    9.32135e+04    4.02172e+05   -2.33793e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66162e+04   -2.44617e+06    4.80336e+05   -1.96584e+06    2.41163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.07164e+02    7.76422e+01    5.90836e-06


DD  step 227169999 load imb.: force 19.6%  pme mesh/force 0.808
           Step           Time
      227170000   454340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94284e+03    1.98096e+04    1.31292e+04    1.20445e+03   -3.12856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79561e+03    9.27326e+04    4.00590e+05   -2.34150e+04   -2.97618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63949e+04   -2.44613e+06    4.78149e+05   -1.96798e+06    2.41169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09992e+02   -2.07796e+02    1.13663e+00    5.67785e-06


DD  step 227174999 load imb.: force 16.0%  pme mesh/force 0.735
           Step           Time
      227175000   454350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06622e+03    1.93212e+04    1.29395e+04    1.19495e+03   -3.05806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77798e+03    9.30365e+04    4.00747e+05   -2.33649e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62601e+04   -2.44849e+06    4.77258e+05   -1.97124e+06    2.41174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09415e+02   -2.06910e+02   -5.66160e+01    5.87119e-06


DD  step 227179999 load imb.: force 15.0%  pme mesh/force 0.755
           Step           Time
      227180000   454360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05722e+03    1.93729e+04    1.32719e+04    1.16621e+03   -3.09127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81068e+03    9.33558e+04    3.99254e+05   -2.34098e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63126e+04   -2.44526e+06    4.79885e+05   -1.96538e+06    2.41180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11118e+02   -2.07705e+02   -2.79433e+01    5.69348e-06


DD  step 227184999 load imb.: force 14.1%  pme mesh/force 0.744
           Step           Time
      227185000   454370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96250e+03    1.93680e+04    1.31221e+04    1.12222e+03   -3.03649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87618e+03    9.32509e+04    4.01584e+05   -2.34209e+04   -2.98073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65619e+04   -2.44934e+06    4.80684e+05   -1.96866e+06    2.41186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11636e+02   -2.07902e+02    4.42501e+01    5.63837e-06


DD  step 227189999 load imb.: force 14.4%  pme mesh/force 0.725
           Step           Time
      227190000   454380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64427e+03    1.94536e+04    1.32796e+04    1.14849e+03   -3.07052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78633e+03    9.29640e+04    3.99491e+05   -2.33774e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65150e+04   -2.44887e+06    4.78305e+05   -1.97057e+06    2.41191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10094e+02   -2.07131e+02   -5.60419e+01    5.73149e-06


DD  step 227194999 load imb.: force 13.8%  pme mesh/force 0.734
           Step           Time
      227195000   454390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18605e+03    1.98484e+04    1.32910e+04    1.24596e+03   -3.05166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75826e+03    9.29954e+04    4.01231e+05   -2.33931e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66561e+04   -2.44465e+06    4.80966e+05   -1.96369e+06    2.41197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11819e+02   -2.07409e+02    6.97832e+01    5.72593e-06


DD  step 227199999 load imb.: force 16.7%  pme mesh/force 0.728
           Step           Time
      227200000   454400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95980e+03    1.93693e+04    1.32106e+04    1.15016e+03   -3.08220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78648e+03    9.34612e+04    4.00317e+05   -2.33684e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62486e+04   -2.44820e+06    4.79881e+05   -1.96832e+06    2.41202e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11115e+02   -2.06972e+02   -3.15476e+01    5.73688e-06


DD  step 227204999 load imb.: force 14.5%  pme mesh/force 0.784
           Step           Time
      227205000   454410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96597e+03    1.94791e+04    1.29625e+04    1.20967e+03   -2.95608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90214e+03    9.35469e+04    3.99895e+05   -2.34610e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64959e+04   -2.44936e+06    4.79808e+05   -1.96955e+06    2.41209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.08613e+02    5.36223e+01    5.67130e-06


DD  step 227209999 load imb.: force 17.9%  pme mesh/force 0.766
           Step           Time
      227210000   454420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81958e+03    1.94575e+04    1.32317e+04    1.19823e+03   -3.00525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78940e+03    9.31088e+04    4.00398e+05   -2.33388e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65281e+04   -2.44740e+06    4.78771e+05   -1.96863e+06    2.41214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10396e+02   -2.06449e+02   -2.04865e+01    5.63093e-06


DD  step 227214999 load imb.: force 17.4%  pme mesh/force 0.762
           Step           Time
      227215000   454430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88902e+03    1.91724e+04    1.30781e+04    1.17871e+03   -2.82788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88059e+03    9.30092e+04    3.97123e+05   -2.33366e+04   -2.97299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65243e+04   -2.44630e+06    4.79122e+05   -1.96717e+06    2.41220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10623e+02   -2.06409e+02   -8.85138e+01    5.74529e-06


DD  step 227219999 load imb.: force 15.4%  pme mesh/force 0.783
           Step           Time
      227220000   454440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06566e+03    1.93617e+04    1.30343e+04    1.20724e+03   -3.01688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70275e+03    9.28754e+04    4.00134e+05   -2.33071e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66757e+04   -2.44566e+06    4.78993e+05   -1.96667e+06    2.41226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10540e+02   -2.05888e+02   -6.21014e+01    5.76336e-06


DD  step 227224999 load imb.: force 17.1%  pme mesh/force 0.796
           Step           Time
      227225000   454450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32613e+03    1.95530e+04    1.29161e+04    1.16221e+03   -3.05511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78813e+03    9.31343e+04    4.00835e+05   -2.33698e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63864e+04   -2.44889e+06    4.81848e+05   -1.96704e+06    2.41232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12391e+02   -2.06997e+02   -2.15056e+01    5.60304e-06


DD  step 227229999 load imb.: force 16.1%  pme mesh/force 0.776
           Step           Time
      227230000   454460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05611e+03    1.93520e+04    1.31738e+04    1.30150e+03   -3.03460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78291e+03    9.34806e+04    4.01118e+05   -2.33797e+04   -2.97876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64022e+04   -2.44751e+06    4.80005e+05   -1.96750e+06    2.41238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.07172e+02   -2.18724e+01    5.56935e-06


DD  step 227234999 load imb.: force 16.7%  pme mesh/force 0.773
           Step           Time
      227235000   454470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11648e+03    1.94227e+04    1.30743e+04    1.08845e+03   -3.02413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74589e+03    9.29669e+04    3.99381e+05   -2.34039e+04   -2.97328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65464e+04   -2.44436e+06    4.78230e+05   -1.96613e+06    2.41243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.07601e+02   -1.48406e+01    5.96526e-06


DD  step 227239999 load imb.: force 16.2%  pme mesh/force 0.739
           Step           Time
      227240000   454480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85909e+03    1.95472e+04    1.29962e+04    1.11905e+03   -3.01581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95024e+03    9.30196e+04    4.03328e+05   -2.34365e+04   -2.98274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63994e+04   -2.44997e+06    4.79916e+05   -1.97006e+06    2.41249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.08179e+02    7.32353e+01    5.66899e-06


DD  step 227244999 load imb.: force 16.1%  pme mesh/force 0.784
           Step           Time
      227245000   454490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96531e+03    1.94963e+04    1.31184e+04    1.14444e+03   -2.96388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92368e+03    9.34097e+04    4.01999e+05   -2.33454e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64638e+04   -2.44643e+06    4.80504e+05   -1.96592e+06    2.41255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11519e+02   -2.06564e+02    4.02305e+01    5.77740e-06


DD  step 227249999 load imb.: force 16.1%  pme mesh/force 0.776
           Step           Time
      227250000   454500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26659e+03    1.95373e+04    1.33160e+04    1.28456e+03   -3.10896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79462e+03    9.26908e+04    3.98207e+05   -2.34119e+04   -2.97313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62395e+04   -2.44531e+06    4.80083e+05   -1.96523e+06    2.41261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11246e+02   -2.07742e+02   -5.78334e+01    5.70713e-06


DD  step 227254999 load imb.: force 16.6%  pme mesh/force 0.766
           Step           Time
      227255000   454510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07755e+03    1.93451e+04    1.31331e+04    1.13893e+03   -3.14369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97881e+03    9.29775e+04    3.99091e+05   -2.33652e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64429e+04   -2.44684e+06    4.81296e+05   -1.96555e+06    2.41266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12033e+02   -2.06914e+02    3.46857e+00    5.72548e-06


DD  step 227259999 load imb.: force 16.2%  pme mesh/force 0.763
           Step           Time
      227260000   454520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16104e+03    1.94353e+04    1.32482e+04    1.20900e+03   -3.09873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84638e+03    9.32519e+04    3.98171e+05   -2.33203e+04   -2.97225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64845e+04   -2.44387e+06    4.81161e+05   -1.96271e+06    2.41272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.06122e+02   -1.27682e+02    5.64814e-06


DD  step 227264999 load imb.: force 16.2%  pme mesh/force 0.779
           Step           Time
      227265000   454530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21476e+03    1.95524e+04    1.32170e+04    1.18811e+03   -3.07114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76433e+03    9.27416e+04    3.97265e+05   -2.33466e+04   -2.97191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67147e+04   -2.44467e+06    4.79423e+05   -1.96525e+06    2.41278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.06585e+02   -1.19393e+02    5.79323e-06


DD  step 227269999 load imb.: force 16.3%  pme mesh/force 0.728
           Step           Time
      227270000   454540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00944e+03    1.92002e+04    1.32637e+04    1.19587e+03   -3.10285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82675e+03    9.27770e+04    3.98619e+05   -2.33338e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65280e+04   -2.44826e+06    4.78220e+05   -1.97004e+06    2.41284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10039e+02   -2.06360e+02   -1.01302e+02    5.71365e-06


DD  step 227274999 load imb.: force 16.5%  pme mesh/force 0.772
           Step           Time
      227275000   454550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98010e+03    1.93191e+04    1.29300e+04    1.11422e+03   -3.06309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79428e+03    9.28575e+04    4.03704e+05   -2.34259e+04   -2.98240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62932e+04   -2.44990e+06    4.78337e+05   -1.97156e+06    2.41290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10114e+02   -2.07991e+02    8.86607e+01    5.71165e-06


DD  step 227279999 load imb.: force 14.8%  pme mesh/force 0.752
           Step           Time
      227280000   454560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95680e+03    1.91077e+04    1.31920e+04    1.21821e+03   -3.07711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96377e+03    9.32610e+04    3.98297e+05   -2.33912e+04   -2.97367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63513e+04   -2.44579e+06    4.78752e+05   -1.96704e+06    2.41295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.07375e+02   -2.80899e+01    5.76132e-06


DD  step 227284999 load imb.: force 16.0%  pme mesh/force 0.734
           Step           Time
      227285000   454570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74903e+03    1.93632e+04    1.31008e+04    1.14662e+03   -3.09836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88024e+03    9.30429e+04    3.98514e+05   -2.33980e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65535e+04   -2.44794e+06    4.79774e+05   -1.96816e+06    2.41301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11046e+02   -2.07496e+02   -1.36901e+01    5.82989e-06


DD  step 227289999 load imb.: force 15.8%  pme mesh/force 0.747
           Step           Time
      227290000   454580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10386e+03    1.94938e+04    1.31018e+04    1.16485e+03   -3.07789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82035e+03    9.23011e+04    4.00132e+05   -2.33573e+04   -2.97387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65740e+04   -2.44461e+06    4.79355e+05   -1.96526e+06    2.41307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.06775e+02    2.40398e+01    5.73146e-06


DD  step 227294999 load imb.: force 16.6%  pme mesh/force 0.793
           Step           Time
      227295000   454590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83765e+03    1.95084e+04    1.32285e+04    1.24339e+03   -2.93724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76112e+03    9.23737e+04    3.99844e+05   -2.33681e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64446e+04   -2.44648e+06    4.81750e+05   -1.96473e+06    2.41312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12327e+02   -2.06967e+02   -2.40898e+01    5.69944e-06


DD  step 227299999 load imb.: force 16.3%  pme mesh/force 0.769
           Step           Time
      227300000   454600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08394e+03    1.91797e+04    1.31406e+04    1.13947e+03   -3.03379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72928e+03    9.27897e+04    4.01085e+05   -2.33560e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65192e+04   -2.44809e+06    4.78470e+05   -1.96962e+06    2.41319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10201e+02   -2.06753e+02   -8.39867e+00    5.95004e-06


DD  step 227304999 load imb.: force 16.3%  pme mesh/force 0.760
           Step           Time
      227305000   454610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93311e+03    1.91922e+04    1.31688e+04    1.27354e+03   -3.04101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84091e+03    9.33688e+04    4.02745e+05   -2.34082e+04   -2.98003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65206e+04   -2.44744e+06    4.77786e+05   -1.96965e+06    2.41324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09757e+02   -2.07677e+02    1.22837e+02    5.85257e-06


DD  step 227309999 load imb.: force 15.8%  pme mesh/force 0.741
           Step           Time
      227310000   454620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97077e+03    1.96202e+04    1.32605e+04    1.17911e+03   -3.12729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81875e+03    9.26424e+04    3.99942e+05   -2.33497e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66628e+04   -2.44733e+06    4.79576e+05   -1.96775e+06    2.41330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10918e+02   -2.06641e+02   -3.55287e+01    5.96835e-06


DD  step 227314999 load imb.: force 16.5%  pme mesh/force 0.757
           Step           Time
      227315000   454630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74312e+03    1.93273e+04    1.30928e+04    1.22695e+03   -3.01867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84563e+03    9.33389e+04    3.97815e+05   -2.33842e+04   -2.97435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65964e+04   -2.44676e+06    4.79546e+05   -1.96722e+06    2.41336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10898e+02   -2.07251e+02   -2.57965e+01    5.78398e-06


DD  step 227319999 load imb.: force 14.2%  pme mesh/force 0.720
           Step           Time
      227320000   454640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05908e+03    1.97039e+04    1.32479e+04    1.21848e+03   -3.02207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85980e+03    9.29697e+04    3.97541e+05   -2.33668e+04   -2.97345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65228e+04   -2.44572e+06    4.80911e+05   -1.96481e+06    2.41342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11783e+02   -2.06944e+02   -6.94537e+01    5.84950e-06

Writing checkpoint, step 227320950 at Wed Nov  8 01:01:28 2023



DD  step 227324999 load imb.: force 16.6%  pme mesh/force 0.750
           Step           Time
      227325000   454650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94062e+03    1.94660e+04    1.30631e+04    1.26806e+03   -2.94207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88199e+03    9.29401e+04    3.99592e+05   -2.33822e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65595e+04   -2.44678e+06    4.78497e+05   -1.96829e+06    2.41348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10218e+02   -2.07216e+02   -4.48351e+01    5.85439e-06


DD  step 227329999 load imb.: force 16.1%  pme mesh/force 0.733
           Step           Time
      227330000   454660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07925e+03    1.92856e+04    1.33369e+04    1.12589e+03   -3.13914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73840e+03    9.28890e+04    4.02242e+05   -2.34108e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63678e+04   -2.44664e+06    4.79580e+05   -1.96706e+06    2.41354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.07723e+02    6.25142e+01    5.92370e-06


DD  step 227334999 load imb.: force 17.3%  pme mesh/force 0.765
           Step           Time
      227335000   454670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00646e+03    1.93487e+04    1.30612e+04    1.14293e+03   -3.03407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85620e+03    9.28978e+04    3.99946e+05   -2.33215e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62940e+04   -2.44591e+06    4.77668e+05   -1.96824e+06    2.41359e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09681e+02   -2.06143e+02   -1.39784e+01    5.83373e-06


DD  step 227339999 load imb.: force 18.2%  pme mesh/force 0.745
           Step           Time
      227340000   454680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01197e+03    1.94988e+04    1.32344e+04    1.26447e+03   -3.13170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78490e+03    9.26665e+04    4.03932e+05   -2.33495e+04   -2.98070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65105e+04   -2.44728e+06    4.79564e+05   -1.96772e+06    2.41366e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.06637e+02    7.89603e+01    5.84801e-06


DD  step 227344999 load imb.: force 16.5%  pme mesh/force 0.768
           Step           Time
      227345000   454690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03989e+03    1.94059e+04    1.32722e+04    1.30032e+03   -3.11582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84134e+03    9.27872e+04    3.98819e+05   -2.33791e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65112e+04   -2.44570e+06    4.79449e+05   -1.96625e+06    2.41371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10835e+02   -2.07161e+02   -6.27786e+01    5.84234e-06


DD  step 227349999 load imb.: force 14.9%  pme mesh/force 0.790
           Step           Time
      227350000   454700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89980e+03    1.94438e+04    1.30971e+04    1.12288e+03   -2.97910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85245e+03    9.28513e+04    4.01187e+05   -2.33797e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64051e+04   -2.44758e+06    4.78654e+05   -1.96893e+06    2.41377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10320e+02   -2.07171e+02    3.16611e+01    5.92855e-06


DD  step 227354999 load imb.: force 17.3%  pme mesh/force 0.792
           Step           Time
      227355000   454710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80644e+03    1.95632e+04    1.32283e+04    1.21254e+03   -3.02294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84687e+03    9.25194e+04    4.00649e+05   -2.34070e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62447e+04   -2.44960e+06    4.79116e+05   -1.97049e+06    2.41382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10620e+02   -2.07655e+02    1.85308e+01    5.67089e-06


DD  step 227359999 load imb.: force 16.2%  pme mesh/force 0.774
           Step           Time
      227360000   454720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01406e+03    1.96553e+04    1.32629e+04    1.28891e+03   -3.12989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72592e+03    9.29454e+04    3.99386e+05   -2.33862e+04   -2.97316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65512e+04   -2.44384e+06    4.80440e+05   -1.96340e+06    2.41388e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.07287e+02    1.20435e+01    5.90089e-06


DD  step 227364999 load imb.: force 16.1%  pme mesh/force 0.758
           Step           Time
      227365000   454730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00869e+03    1.93947e+04    1.31191e+04    1.14366e+03   -3.09903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79837e+03    9.31575e+04    3.97550e+05   -2.33149e+04   -2.97398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64653e+04   -2.44676e+06    4.78127e+05   -1.96863e+06    2.41394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09978e+02   -2.06025e+02   -1.59179e+02    5.77346e-06


DD  step 227369999 load imb.: force 16.2%  pme mesh/force 0.759
           Step           Time
      227370000   454740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26004e+03    1.94567e+04    1.32553e+04    1.19024e+03   -3.03044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78792e+03    9.33031e+04    3.99142e+05   -2.33853e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64675e+04   -2.44760e+06    4.80417e+05   -1.96718e+06    2.41400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11463e+02   -2.07271e+02   -4.04718e+01    5.88433e-06


DD  step 227374999 load imb.: force 15.0%  pme mesh/force 0.742
           Step           Time
      227375000   454750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84639e+03    1.94087e+04    1.30851e+04    1.26679e+03   -3.04438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76952e+03    9.31496e+04    4.00454e+05   -2.33627e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63334e+04   -2.44892e+06    4.77287e+05   -1.97163e+06    2.41406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09434e+02   -2.06870e+02   -2.66197e+01    5.77103e-06


DD  step 227379999 load imb.: force 16.9%  pme mesh/force 0.748
           Step           Time
      227380000   454760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29613e+03    1.97491e+04    1.32893e+04    1.18604e+03   -3.14929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92522e+03    9.28544e+04    3.98925e+05   -2.34248e+04   -2.97330e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64070e+04   -2.44424e+06    4.79922e+05   -1.96432e+06    2.41412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11142e+02   -2.07971e+02    7.86585e+01    6.02936e-06


DD  step 227384999 load imb.: force 15.5%  pme mesh/force 0.772
           Step           Time
      227385000   454770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00307e+03    1.94014e+04    1.30823e+04    1.21970e+03   -3.05772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78941e+03    9.28065e+04    4.01674e+05   -2.33884e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64496e+04   -2.44658e+06    4.78353e+05   -1.96823e+06    2.41418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10125e+02   -2.07326e+02   -3.78189e+00    5.87322e-06


DD  step 227389999 load imb.: force 14.2%  pme mesh/force 0.726
           Step           Time
      227390000   454780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36772e+03    1.94367e+04    1.30623e+04    1.22190e+03   -3.02057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79966e+03    9.27691e+04    4.03379e+05   -2.33790e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64775e+04   -2.44688e+06    4.81901e+05   -1.96498e+06    2.41423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12425e+02   -2.07159e+02    9.50031e+01    5.88983e-06


DD  step 227394999 load imb.: force 18.5%  pme mesh/force 0.781
           Step           Time
      227395000   454790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11697e+03    1.94410e+04    1.33215e+04    1.28087e+03   -3.04369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82631e+03    9.27252e+04    3.97678e+05   -2.33330e+04   -2.97228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65339e+04   -2.44473e+06    4.79846e+05   -1.96489e+06    2.41429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11093e+02   -2.06345e+02   -8.32225e+01    5.93693e-06


DD  step 227399999 load imb.: force 15.1%  pme mesh/force 0.721
           Step           Time
      227400000   454800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95636e+03    1.91465e+04    1.31747e+04    1.16250e+03   -3.14927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86451e+03    9.28715e+04    3.98480e+05   -2.34120e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62046e+04   -2.44960e+06    4.78246e+05   -1.97135e+06    2.41435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10056e+02   -2.07744e+02   -6.03244e+01    5.84971e-06


DD  step 227404999 load imb.: force 15.3%  pme mesh/force 0.743
           Step           Time
      227405000   454810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99513e+03    1.95805e+04    1.31991e+04    1.17627e+03   -3.07281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83120e+03    9.26652e+04    3.98916e+05   -2.33006e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64827e+04   -2.44546e+06    4.77130e+05   -1.96833e+06    2.41441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09332e+02   -2.05774e+02   -1.21062e+02    5.80973e-06


DD  step 227409999 load imb.: force 15.5%  pme mesh/force 0.726
           Step           Time
      227410000   454820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81715e+03    1.96118e+04    1.33164e+04    1.18848e+03   -3.07144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94352e+03    9.33287e+04    4.00924e+05   -2.33813e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64251e+04   -2.44693e+06    4.79226e+05   -1.96770e+06    2.41447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10691e+02   -2.07199e+02    8.71605e+00    5.93280e-06


DD  step 227414999 load imb.: force 17.3%  pme mesh/force 0.753
           Step           Time
      227415000   454830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95545e+03    1.94990e+04    1.31954e+04    1.27301e+03   -3.11932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89215e+03    9.26247e+04    4.02353e+05   -2.33898e+04   -2.98253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62098e+04   -2.45104e+06    4.79204e+05   -1.97183e+06    2.41452e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10676e+02   -2.07351e+02    1.39758e+01    5.85559e-06


DD  step 227419999 load imb.: force 17.0%  pme mesh/force 0.783
           Step           Time
      227420000   454840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80903e+03    1.97613e+04    1.31780e+04    1.16870e+03   -3.16581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93514e+03    9.27639e+04    4.02716e+05   -2.33532e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66059e+04   -2.44657e+06    4.81263e+05   -1.96531e+06    2.41458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12011e+02   -2.06702e+02    1.22438e+02    6.01529e-06


DD  step 227424999 load imb.: force 17.7%  pme mesh/force 0.762
           Step           Time
      227425000   454850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07698e+03    1.91958e+04    1.30528e+04    1.12982e+03   -2.99005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66924e+03    9.30174e+04    4.01637e+05   -2.33841e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64671e+04   -2.44654e+06    4.79142e+05   -1.96740e+06    2.41464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.07249e+02   -7.68994e+00    5.89280e-06


DD  step 227429999 load imb.: force 16.6%  pme mesh/force 0.729
           Step           Time
      227430000   454860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99761e+03    1.95618e+04    1.32044e+04    1.13252e+03   -3.14483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73221e+03    9.24775e+04    4.00075e+05   -2.33812e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65216e+04   -2.44906e+06    4.77573e+05   -1.97149e+06    2.41469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09619e+02   -2.07198e+02   -7.69960e+01    6.08859e-06


DD  step 227434999 load imb.: force 15.2%  pme mesh/force 0.742
           Step           Time
      227435000   454870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79235e+03    1.96119e+04    1.32090e+04    1.20415e+03   -3.06733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76714e+03    9.26141e+04    3.98720e+05   -2.33765e+04   -2.97373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64626e+04   -2.44579e+06    4.79939e+05   -1.96585e+06    2.41475e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.07115e+02    1.47701e+00    5.83840e-06


DD  step 227439999 load imb.: force 17.5%  pme mesh/force 0.763
           Step           Time
      227440000   454880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94607e+03    1.97466e+04    1.30812e+04    1.22339e+03   -3.08566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79724e+03    9.23391e+04    3.98494e+05   -2.33435e+04   -2.97372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64351e+04   -2.44609e+06    4.78069e+05   -1.96802e+06    2.41481e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09940e+02   -2.06531e+02   -1.01069e+02    6.00698e-06


DD  step 227444999 load imb.: force 14.6%  pme mesh/force 0.742
           Step           Time
      227445000   454890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96430e+03    1.95016e+04    1.31457e+04    1.25012e+03   -2.96316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83058e+03    9.30108e+04    4.02205e+05   -2.34044e+04   -2.97935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64128e+04   -2.44740e+06    4.78502e+05   -1.96889e+06    2.41488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.07609e+02    7.53227e+01    5.85006e-06


DD  step 227449999 load imb.: force 17.1%  pme mesh/force 0.762
           Step           Time
      227450000   454900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86631e+03    1.90873e+04    1.30240e+04    1.13424e+03   -3.00690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96123e+03    9.32916e+04    4.01240e+05   -2.34045e+04   -2.98109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66014e+04   -2.45029e+06    4.79081e+05   -1.97121e+06    2.41493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10597e+02   -2.07611e+02   -8.16971e-01    5.91213e-06


DD  step 227454999 load imb.: force 18.7%  pme mesh/force 0.762
           Step           Time
      227455000   454910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28205e+03    1.95442e+04    1.30021e+04    1.14898e+03   -3.06113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69764e+03    9.29246e+04    4.00512e+05   -2.33735e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65073e+04   -2.44462e+06    4.77427e+05   -1.96719e+06    2.41499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09524e+02   -2.07061e+02    1.25003e+00    5.72794e-06


DD  step 227459999 load imb.: force 18.0%  pme mesh/force 0.771
           Step           Time
      227460000   454920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81256e+03    1.90866e+04    1.29650e+04    1.18876e+03   -3.01266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88469e+03    9.32723e+04    3.98183e+05   -2.33738e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66790e+04   -2.44780e+06    4.79582e+05   -1.96822e+06    2.41504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10922e+02   -2.07068e+02   -5.23552e+01    5.91865e-06


DD  step 227464999 load imb.: force 15.9%  pme mesh/force 0.743
           Step           Time
      227465000   454930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06915e+03    1.96660e+04    1.31638e+04    1.13778e+03   -3.02045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84849e+03    9.23619e+04    4.02161e+05   -2.33898e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66239e+04   -2.44728e+06    4.80053e+05   -1.96723e+06    2.41510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.07350e+02    5.58017e+01    5.80635e-06


DD  step 227469999 load imb.: force 19.1%  pme mesh/force 0.826
           Step           Time
      227470000   454940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12187e+03    1.93445e+04    1.30837e+04    1.11312e+03   -3.01268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82184e+03    9.27742e+04    4.03090e+05   -2.33933e+04   -2.98096e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66264e+04   -2.44839e+06    4.79874e+05   -1.96851e+06    2.41517e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.07412e+02    6.32128e+01    5.88944e-06


DD  step 227474999 load imb.: force 18.7%  pme mesh/force 0.761
           Step           Time
      227475000   454950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76130e+03    1.92669e+04    1.31844e+04    1.22009e+03   -3.05759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87659e+03    9.30732e+04    4.01478e+05   -2.33673e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63225e+04   -2.44760e+06    4.80817e+05   -1.96678e+06    2.41522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.06952e+02    2.22150e+01    5.95117e-06


DD  step 227479999 load imb.: force 18.5%  pme mesh/force 0.803
           Step           Time
      227480000   454960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97129e+03    1.96848e+04    1.30859e+04    1.20031e+03   -2.94565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76064e+03    9.32230e+04    3.99610e+05   -2.33886e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65543e+04   -2.44758e+06    4.82228e+05   -1.96535e+06    2.41528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12637e+02   -2.07329e+02    1.54353e+01    5.94905e-06


DD  step 227484999 load imb.: force 16.4%  pme mesh/force 0.751
           Step           Time
      227485000   454970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81329e+03    1.94593e+04    1.31899e+04    1.16127e+03   -3.23330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70599e+03    9.30727e+04    4.02357e+05   -2.34015e+04   -2.98018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67945e+04   -2.44826e+06    4.77180e+05   -1.97108e+06    2.41534e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09364e+02   -2.07557e+02    3.37274e+01    5.80693e-06


DD  step 227489999 load imb.: force 19.3%  pme mesh/force 0.787
           Step           Time
      227490000   454980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82499e+03    1.96689e+04    1.31472e+04    1.13947e+03   -3.11147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91468e+03    9.25435e+04    4.01270e+05   -2.33328e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65112e+04   -2.44709e+06    4.80813e+05   -1.96628e+06    2.41539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11720e+02   -2.06343e+02    2.19199e+01    6.03639e-06


DD  step 227494999 load imb.: force 17.5%  pme mesh/force 0.785
           Step           Time
      227495000   454990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79764e+03    1.93357e+04    1.34245e+04    1.25106e+03   -2.97485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96034e+03    9.28947e+04    3.99535e+05   -2.33991e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66850e+04   -2.44708e+06    4.80390e+05   -1.96669e+06    2.41545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11446e+02   -2.07515e+02    5.35155e+01    5.82686e-06


DD  step 227499999 load imb.: force 18.4%  pme mesh/force 0.766
           Step           Time
      227500000   455000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26123e+03    1.96411e+04    1.31107e+04    1.15490e+03   -3.13254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89504e+03    9.25197e+04    4.00395e+05   -2.33800e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63126e+04   -2.44685e+06    4.79565e+05   -1.96728e+06    2.41551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.07177e+02    3.93842e+00    5.94260e-06


DD  step 227504999 load imb.: force 18.9%  pme mesh/force 0.444
           Step           Time
      227505000   455010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75264e+03    1.91997e+04    1.30655e+04    1.17771e+03   -3.06473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86704e+03    9.34943e+04    4.03474e+05   -2.33511e+04   -2.98119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65769e+04   -2.44800e+06    4.81400e+05   -1.96660e+06    2.41557e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12100e+02   -2.06665e+02    9.69228e+01    5.98984e-06


DD  step 227509999 load imb.: force 17.5%  pme mesh/force 0.759
           Step           Time
      227510000   455020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16134e+03    1.90962e+04    1.31251e+04    1.17458e+03   -3.09144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89592e+03    9.26149e+04    4.00805e+05   -2.33513e+04   -2.97603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66692e+04   -2.44593e+06    4.78208e+05   -1.96772e+06    2.41563e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10031e+02   -2.06670e+02    1.76105e+01    5.92007e-06


DD  step 227514999 load imb.: force 16.7%  pme mesh/force 0.739
           Step           Time
      227515000   455030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90371e+03    1.91833e+04    1.31073e+04    1.17159e+03   -3.07784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77556e+03    9.25055e+04    4.00357e+05   -2.34161e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62503e+04   -2.44893e+06    4.76936e+05   -1.97200e+06    2.41569e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09206e+02   -2.07817e+02    7.53296e+00    5.86104e-06


DD  step 227519999 load imb.: force 18.1%  pme mesh/force 0.766
           Step           Time
      227520000   455040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02906e+03    1.95313e+04    1.29825e+04    1.15613e+03   -3.02588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82414e+03    9.24945e+04    4.02069e+05   -2.33893e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65932e+04   -2.44679e+06    4.80087e+05   -1.96670e+06    2.41574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11249e+02   -2.07342e+02    5.29030e+01    5.98519e-06


DD  step 227524999 load imb.: force 17.3%  pme mesh/force 0.840
           Step           Time
      227525000   455050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83260e+03    1.94340e+04    1.28886e+04    1.20006e+03   -3.22193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82235e+03    9.23957e+04    4.00476e+05   -2.34042e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64087e+04   -2.44744e+06    4.80580e+05   -1.96686e+06    2.41580e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11568e+02   -2.07605e+02    4.99625e+01    5.91359e-06


DD  step 227529999 load imb.: force 19.8%  pme mesh/force 0.803
           Step           Time
      227530000   455060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05890e+03    1.94587e+04    1.29921e+04    1.19919e+03   -3.03383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86304e+03    9.24241e+04    4.00554e+05   -2.33669e+04   -2.97637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66026e+04   -2.44662e+06    4.79057e+05   -1.96756e+06    2.41586e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.06945e+02   -1.84939e+01    5.90901e-06


DD  step 227534999 load imb.: force 17.6%  pme mesh/force 0.790
           Step           Time
      227535000   455070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10809e+03    1.92355e+04    1.29396e+04    1.24897e+03   -3.08099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82938e+03    9.24943e+04    4.02338e+05   -2.33765e+04   -2.97732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67256e+04   -2.44586e+06    4.80516e+05   -1.96534e+06    2.41591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11527e+02   -2.07115e+02    5.74243e+01    5.71375e-06


DD  step 227539999 load imb.: force 15.9%  pme mesh/force 0.724
           Step           Time
      227540000   455080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36650e+03    1.97121e+04    1.30490e+04    1.19770e+03   -3.19492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72892e+03    9.23820e+04    3.99116e+05   -2.33615e+04   -2.97308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67413e+04   -2.44435e+06    4.81185e+05   -1.96316e+06    2.41597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.06850e+02   -5.63685e+01    6.03333e-06


DD  step 227544999 load imb.: force 16.2%  pme mesh/force 0.775
           Step           Time
      227545000   455090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01292e+03    1.93156e+04    1.31961e+04    1.16086e+03   -3.05773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88292e+03    9.31594e+04    4.01627e+05   -2.33948e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63090e+04   -2.44669e+06    4.79514e+05   -1.96717e+06    2.41603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.07439e+02    1.60491e+01    5.93176e-06


DD  step 227549999 load imb.: force 18.3%  pme mesh/force 0.759
           Step           Time
      227550000   455100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18554e+03    1.93976e+04    1.31458e+04    1.19974e+03   -3.14722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81383e+03    9.26839e+04    4.03787e+05   -2.34293e+04   -2.98346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66929e+04   -2.45013e+06    4.78805e+05   -1.97132e+06    2.41609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10418e+02   -2.08051e+02    3.58880e+01    5.94832e-06


DD  step 227554999 load imb.: force 17.3%  pme mesh/force 0.760
           Step           Time
      227555000   455110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97154e+03    1.97287e+04    1.31310e+04    1.29261e+03   -3.04007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71339e+03    9.25716e+04    3.97310e+05   -2.33864e+04   -2.97094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66346e+04   -2.44401e+06    4.77144e+05   -1.96686e+06    2.41614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09341e+02   -2.07290e+02   -1.05218e+02    5.77341e-06


DD  step 227559999 load imb.: force 15.8%  pme mesh/force 0.759
           Step           Time
      227560000   455120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80859e+03    1.93057e+04    1.30989e+04    1.27257e+03   -3.04104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89813e+03    9.30720e+04    4.02029e+05   -2.33881e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64984e+04   -2.44619e+06    4.79454e+05   -1.96673e+06    2.41620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.07321e+02    3.51775e+01    5.93259e-06


DD  step 227564999 load imb.: force 18.0%  pme mesh/force 0.786
           Step           Time
      227565000   455130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04012e+03    1.94645e+04    1.32082e+04    1.23103e+03   -3.11743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93546e+03    9.29959e+04    3.98965e+05   -2.34005e+04   -2.97347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65371e+04   -2.44461e+06    4.79260e+05   -1.96535e+06    2.41626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.07540e+02    4.35652e+01    5.81362e-06


DD  step 227569999 load imb.: force 16.9%  pme mesh/force 0.757
           Step           Time
      227570000   455140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80902e+03    1.94812e+04    1.29250e+04    1.28588e+03   -2.94942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90469e+03    9.27320e+04    3.99450e+05   -2.33655e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64843e+04   -2.44566e+06    4.79027e+05   -1.96663e+06    2.41632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10562e+02   -2.06921e+02   -9.94345e+00    5.88192e-06


DD  step 227574999 load imb.: force 18.3%  pme mesh/force 0.764
           Step           Time
      227575000   455150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.57440e+03    1.92678e+04    1.31456e+04    1.15900e+03   -2.98641e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.13678e+03    9.30979e+04    4.04775e+05   -2.33941e+04   -2.98294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64557e+04   -2.44871e+06    4.80669e+05   -1.96804e+06    2.41637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11626e+02   -2.07426e+02    1.61074e+02    5.89346e-06


DD  step 227579999 load imb.: force 17.5%  pme mesh/force 0.776
           Step           Time
      227580000   455160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81902e+03    1.91345e+04    1.32451e+04    1.18928e+03   -3.01079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78904e+03    9.27568e+04    4.01352e+05   -2.33569e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64813e+04   -2.44609e+06    4.78292e+05   -1.96780e+06    2.41644e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10085e+02   -2.06767e+02   -2.72943e+01    6.15451e-06


DD  step 227584999 load imb.: force 19.0%  pme mesh/force 0.786
           Step           Time
      227585000   455170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21335e+03    1.94439e+04    1.31362e+04    1.11687e+03   -3.12472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82383e+03    9.32422e+04    4.02552e+05   -2.34316e+04   -2.97950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64832e+04   -2.44705e+06    4.80912e+05   -1.96613e+06    2.41649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11784e+02   -2.08090e+02    4.66386e+01    6.11485e-06


DD  step 227589999 load imb.: force 16.0%  pme mesh/force 0.737
           Step           Time
      227590000   455180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99794e+03    1.94479e+04    1.29884e+04    1.12636e+03   -3.00317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96747e+03    9.28720e+04    4.01252e+05   -2.33841e+04   -2.98132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64575e+04   -2.45060e+06    4.80689e+05   -1.96991e+06    2.41655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.07250e+02   -4.58429e+00    5.85350e-06


DD  step 227594999 load imb.: force 15.8%  pme mesh/force 0.736
           Step           Time
      227595000   455190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80291e+03    1.93897e+04    1.29699e+04    1.18254e+03   -3.02136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79007e+03    9.30113e+04    4.02758e+05   -2.34354e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63681e+04   -2.44547e+06    4.79399e+05   -1.96607e+06    2.41661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10803e+02   -2.08158e+02    1.18068e+02    5.88869e-06


DD  step 227599999 load imb.: force 16.1%  pme mesh/force 0.746
           Step           Time
      227600000   455200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13849e+03    1.94543e+04    1.30017e+04    1.15884e+03   -2.96378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82120e+03    9.26359e+04    3.99866e+05   -2.33635e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63627e+04   -2.44743e+06    4.80371e+05   -1.96706e+06    2.41667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.06884e+02   -6.71160e+01    5.91647e-06


DD  step 227604999 load imb.: force 17.7%  pme mesh/force 0.759
           Step           Time
      227605000   455210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12766e+03    1.95004e+04    1.30082e+04    1.19805e+03   -3.15424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82730e+03    9.25852e+04    4.00021e+05   -2.34261e+04   -2.97603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63750e+04   -2.44696e+06    4.81593e+05   -1.96537e+06    2.41672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12226e+02   -2.07993e+02    1.06224e+01    6.01295e-06


DD  step 227609999 load imb.: force 17.6%  pme mesh/force 0.794
           Step           Time
      227610000   455220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97204e+03    1.95575e+04    1.31491e+04    1.15777e+03   -3.02822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91150e+03    9.25051e+04    4.02289e+05   -2.33756e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66061e+04   -2.44704e+06    4.78108e+05   -1.96893e+06    2.41679e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09966e+02   -2.07098e+02    6.63903e+01    5.70682e-06


DD  step 227614999 load imb.: force 16.8%  pme mesh/force 0.758
           Step           Time
      227615000   455230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13022e+03    1.95932e+04    1.30559e+04    1.15746e+03   -3.03870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76590e+03    9.24329e+04    3.99006e+05   -2.33630e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63117e+04   -2.44850e+06    4.78119e+05   -1.97038e+06    2.41685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09973e+02   -2.06876e+02   -5.25371e+01    5.96878e-06


DD  step 227619999 load imb.: force 15.6%  pme mesh/force 0.765
           Step           Time
      227620000   455240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97402e+03    1.93082e+04    1.29895e+04    1.09543e+03   -3.01290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82616e+03    9.27838e+04    3.97284e+05   -2.34124e+04   -2.97428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66136e+04   -2.44784e+06    4.80258e+05   -1.96758e+06    2.41690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.07750e+02   -7.02470e+01    5.91761e-06


DD  step 227624999 load imb.: force 18.0%  pme mesh/force 0.768
           Step           Time
      227625000   455250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84312e+03    1.95393e+04    1.30996e+04    1.18015e+03   -3.09213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93634e+03    9.31672e+04    3.99460e+05   -2.33616e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64000e+04   -2.44794e+06    4.79901e+05   -1.96804e+06    2.41696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11129e+02   -2.06851e+02    1.41822e+01    5.98979e-06


DD  step 227629999 load imb.: force 15.9%  pme mesh/force 0.749
           Step           Time
      227630000   455260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74971e+03    1.96609e+04    1.30518e+04    1.13504e+03   -2.98552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95155e+03    9.30599e+04    3.99282e+05   -2.33523e+04   -2.97197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67335e+04   -2.44268e+06    4.82072e+05   -1.96061e+06    2.41701e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12536e+02   -2.06687e+02   -1.21261e+01    5.98829e-06


DD  step 227634999 load imb.: force 17.3%  pme mesh/force 0.765
           Step           Time
      227635000   455270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19338e+03    1.93842e+04    1.32047e+04    1.25029e+03   -3.03147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94195e+03    9.29889e+04    3.98682e+05   -2.33931e+04   -2.97449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66067e+04   -2.44567e+06    4.81303e+05   -1.96436e+06    2.41708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12037e+02   -2.07408e+02    2.81831e+00    5.69770e-06


DD  step 227639999 load imb.: force 17.3%  pme mesh/force 0.791
           Step           Time
      227640000   455280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83125e+03    1.94622e+04    1.30605e+04    1.24961e+03   -3.06169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75418e+03    9.29842e+04    4.00335e+05   -2.33750e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64268e+04   -2.44582e+06    4.78604e+05   -1.96722e+06    2.41713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.07087e+02    2.27360e+01    5.77749e-06


DD  step 227644999 load imb.: force 17.5%  pme mesh/force 0.768
           Step           Time
      227645000   455290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.61363e+03    1.94140e+04    1.31606e+04    1.16049e+03   -3.01563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81556e+03    9.24827e+04    3.99797e+05   -2.33746e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67003e+04   -2.44568e+06    4.80430e+05   -1.96525e+06    2.41719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11471e+02   -2.07081e+02   -5.64352e+01    5.98578e-06


DD  step 227649999 load imb.: force 19.0%  pme mesh/force 0.798
           Step           Time
      227650000   455300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76912e+03    1.95008e+04    1.30023e+04    1.23136e+03   -2.99823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93119e+03    9.27499e+04    4.00368e+05   -2.33976e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64201e+04   -2.44840e+06    4.78092e+05   -1.97031e+06    2.41725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09955e+02   -2.07488e+02    5.08376e+01    5.99247e-06

Writing checkpoint, step 227653250 at Wed Nov  8 01:16:28 2023



DD  step 227654999 load imb.: force 15.6%  pme mesh/force 0.768
           Step           Time
      227655000   455310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09923e+03    1.96869e+04    1.31415e+04    1.19128e+03   -3.06339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88528e+03    9.25378e+04    4.00856e+05   -2.33529e+04   -2.97517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65446e+04   -2.44465e+06    4.81428e+05   -1.96322e+06    2.41730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12119e+02   -2.06697e+02    3.06333e+01    5.99292e-06


DD  step 227659999 load imb.: force 16.6%  pme mesh/force 0.758
           Step           Time
      227660000   455320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00667e+03    1.91721e+04    1.30421e+04    1.20041e+03   -3.04762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94968e+03    9.32191e+04    4.01527e+05   -2.33545e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65037e+04   -2.44530e+06    4.80757e+05   -1.96455e+06    2.41736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11683e+02   -2.06725e+02    5.69729e+01    5.99130e-06


DD  step 227664999 load imb.: force 17.3%  pme mesh/force 0.761
           Step           Time
      227665000   455330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90682e+03    1.93818e+04    1.32398e+04    1.15588e+03   -3.09290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83508e+03    9.32296e+04    3.99744e+05   -2.33594e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66670e+04   -2.44725e+06    4.80736e+05   -1.96652e+06    2.41742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11669e+02   -2.06813e+02   -5.97343e+01    5.99862e-06


DD  step 227669999 load imb.: force 16.5%  pme mesh/force 0.798
           Step           Time
      227670000   455340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79019e+03    1.94551e+04    1.31812e+04    1.17961e+03   -3.02054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97413e+03    9.32308e+04    3.99324e+05   -2.34028e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64817e+04   -2.44804e+06    4.79185e+05   -1.96886e+06    2.41748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10664e+02   -2.07581e+02    1.67387e+01    5.99243e-06


DD  step 227674999 load imb.: force 17.5%  pme mesh/force 0.775
           Step           Time
      227675000   455350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94251e+03    1.94517e+04    1.29749e+04    1.13266e+03   -3.05099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90858e+03    9.26412e+04    4.00362e+05   -2.33654e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63000e+04   -2.45051e+06    4.80358e+05   -1.97016e+06    2.41753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11425e+02   -2.06918e+02   -1.18678e+00    5.87609e-06


DD  step 227679999 load imb.: force 17.7%  pme mesh/force 0.811
           Step           Time
      227680000   455360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08604e+03    1.93454e+04    1.32366e+04    1.17707e+03   -3.17942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89063e+03    9.30679e+04    3.99261e+05   -2.33998e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65697e+04   -2.44591e+06    4.80359e+05   -1.96555e+06    2.41759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11425e+02   -2.07528e+02   -1.51848e+01    5.89953e-06


DD  step 227684999 load imb.: force 15.7%  pme mesh/force 0.774
           Step           Time
      227685000   455370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88117e+03    1.95301e+04    1.30379e+04    1.15644e+03   -3.09463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84803e+03    9.23518e+04    4.03292e+05   -2.33992e+04   -2.98060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67090e+04   -2.44829e+06    4.79668e+05   -1.96862e+06    2.41764e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10977e+02   -2.07516e+02    8.14755e+01    5.66911e-06


DD  step 227689999 load imb.: force 15.9%  pme mesh/force 0.773
           Step           Time
      227690000   455380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80087e+03    1.95392e+04    1.32352e+04    1.21668e+03   -3.06240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86476e+03    9.26995e+04    4.01359e+05   -2.33930e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65403e+04   -2.44701e+06    4.79832e+05   -1.96718e+06    2.41771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11084e+02   -2.07407e+02    2.82498e+01    5.83773e-06


DD  step 227694999 load imb.: force 15.6%  pme mesh/force 0.749
           Step           Time
      227695000   455390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07738e+03    1.95838e+04    1.29233e+04    1.23353e+03   -3.01176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85505e+03    9.26715e+04    4.03139e+05   -2.34008e+04   -2.98133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64282e+04   -2.44883e+06    4.81333e+05   -1.96750e+06    2.41776e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12057e+02   -2.07545e+02    3.77327e+01    5.94816e-06


DD  step 227699999 load imb.: force 18.4%  pme mesh/force 0.800
           Step           Time
      227700000   455400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22941e+03    1.94962e+04    1.30916e+04    1.21559e+03   -3.12125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82203e+03    9.26045e+04    4.00300e+05   -2.33825e+04   -2.97477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65133e+04   -2.44501e+06    4.82116e+05   -1.96289e+06    2.41782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12565e+02   -2.07220e+02    2.82599e+01    5.88960e-06


DD  step 227704999 load imb.: force 16.4%  pme mesh/force 0.786
           Step           Time
      227705000   455410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96582e+03    1.94153e+04    1.29166e+04    1.19984e+03   -3.03183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94047e+03    9.24615e+04    3.98829e+05   -2.33584e+04   -2.97664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65557e+04   -2.44874e+06    4.81908e+05   -1.96684e+06    2.41787e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12429e+02   -2.06794e+02   -7.37861e+01    6.06317e-06


DD  step 227709999 load imb.: force 17.3%  pme mesh/force 0.794
           Step           Time
      227710000   455420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07085e+03    1.94547e+04    1.30505e+04    1.15054e+03   -2.98734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71697e+03    9.24351e+04    3.98271e+05   -2.34344e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64926e+04   -2.44807e+06    4.78191e+05   -1.96988e+06    2.41793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10020e+02   -2.08140e+02   -5.71383e+01    5.86421e-06


DD  step 227714999 load imb.: force 14.6%  pme mesh/force 0.755
           Step           Time
      227715000   455430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98054e+03    1.94537e+04    1.32837e+04    1.14137e+03   -3.08871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79241e+03    9.30408e+04    3.98624e+05   -2.34326e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65648e+04   -2.44709e+06    4.77834e+05   -1.96925e+06    2.41799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09788e+02   -2.08109e+02   -1.38909e+01    5.90285e-06


DD  step 227719999 load imb.: force 17.1%  pme mesh/force 0.786
           Step           Time
      227720000   455440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93270e+03    1.88494e+04    1.31093e+04    1.16930e+03   -3.08832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94696e+03    9.30467e+04    4.00030e+05   -2.33935e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64682e+04   -2.44782e+06    4.76188e+05   -1.97163e+06    2.41805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08721e+02   -2.07416e+02   -8.50322e+00    6.11974e-06


DD  step 227724999 load imb.: force 18.3%  pme mesh/force 0.797
           Step           Time
      227725000   455450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06319e+03    1.96068e+04    1.30197e+04    1.24058e+03   -2.92538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79162e+03    9.26665e+04    3.97787e+05   -2.33436e+04   -2.97199e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62854e+04   -2.44480e+06    4.78742e+05   -1.96605e+06    2.41811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10377e+02   -2.06532e+02   -7.88175e+01    6.02338e-06


DD  step 227729999 load imb.: force 19.3%  pme mesh/force 0.829
           Step           Time
      227730000   455460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97609e+03    1.94827e+04    1.31410e+04    1.27068e+03   -2.98112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80940e+03    9.27466e+04    4.00936e+05   -2.34118e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65218e+04   -2.44639e+06    4.80005e+05   -1.96638e+06    2.41816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.07741e+02    7.96333e+01    5.82126e-06


DD  step 227734999 load imb.: force 18.4%  pme mesh/force 0.772
           Step           Time
      227735000   455470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94964e+03    1.96959e+04    1.31039e+04    1.10864e+03   -3.08544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90336e+03    9.29837e+04    4.00243e+05   -2.33942e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65153e+04   -2.44816e+06    4.80440e+05   -1.96772e+06    2.41822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.07428e+02    7.20244e+01    5.80421e-06


DD  step 227739999 load imb.: force 18.3%  pme mesh/force 0.820
           Step           Time
      227740000   455480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11949e+03    1.89107e+04    1.32650e+04    1.25465e+03   -2.95974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81443e+03    9.27449e+04    4.01099e+05   -2.33836e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64712e+04   -2.44826e+06    4.79107e+05   -1.96915e+06    2.41828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.07241e+02    2.22736e+01    5.87132e-06


DD  step 227744999 load imb.: force 15.6%  pme mesh/force 0.770
           Step           Time
      227745000   455490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83993e+03    1.94569e+04    1.30006e+04    1.18817e+03   -2.99567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86754e+03    9.21392e+04    4.01484e+05   -2.33567e+04   -2.97922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65218e+04   -2.44908e+06    4.77224e+05   -1.97185e+06    2.41834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09393e+02   -2.06764e+02    8.55429e+00    5.82150e-06


DD  step 227749999 load imb.: force 18.0%  pme mesh/force 0.791
           Step           Time
      227750000   455500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88420e+03    1.93239e+04    1.30167e+04    1.21820e+03   -3.13948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84438e+03    9.27396e+04    3.99487e+05   -2.33580e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65016e+04   -2.44731e+06    4.78077e+05   -1.96923e+06    2.41840e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09946e+02   -2.06787e+02   -4.75589e+01    5.93031e-06


DD  step 227754999 load imb.: force 15.1%  pme mesh/force 0.766
           Step           Time
      227755000   455510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05841e+03    1.92721e+04    1.31381e+04    1.25246e+03   -3.10664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90070e+03    9.27969e+04    4.00184e+05   -2.33312e+04   -2.97388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67020e+04   -2.44402e+06    4.80277e+05   -1.96374e+06    2.41846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.06313e+02   -1.57330e+01    5.83636e-06


DD  step 227759999 load imb.: force 18.2%  pme mesh/force 0.784
           Step           Time
      227760000   455520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91050e+03    1.96249e+04    1.30848e+04    1.21504e+03   -3.07953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93520e+03    9.26629e+04    4.02976e+05   -2.33764e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67027e+04   -2.44456e+06    4.79191e+05   -1.96537e+06    2.41851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.07113e+02    1.39351e+02    5.79468e-06


DD  step 227764999 load imb.: force 16.1%  pme mesh/force 0.755
           Step           Time
      227765000   455530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17093e+03    1.92551e+04    1.29127e+04    1.13607e+03   -3.09352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80575e+03    9.28256e+04    3.99087e+05   -2.33991e+04   -2.97393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64839e+04   -2.44575e+06    4.81102e+05   -1.96465e+06    2.41857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11907e+02   -2.07515e+02   -6.29723e+00    5.99571e-06


DD  step 227769999 load imb.: force 17.8%  pme mesh/force 0.764
           Step           Time
      227770000   455540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71874e+03    1.93280e+04    1.31327e+04    1.16077e+03   -2.95433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85042e+03    9.30435e+04    4.00931e+05   -2.33432e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63971e+04   -2.44809e+06    4.79962e+05   -1.96813e+06    2.41862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.06526e+02   -4.24812e+01    6.08973e-06


DD  step 227774999 load imb.: force 15.3%  pme mesh/force 0.778
           Step           Time
      227775000   455550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91410e+03    1.96264e+04    1.29879e+04    1.19192e+03   -3.03276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85187e+03    9.28440e+04    3.99829e+05   -2.33905e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64411e+04   -2.44708e+06    4.81530e+05   -1.96555e+06    2.41868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12184e+02   -2.07363e+02   -7.16016e+00    6.00831e-06


DD  step 227779999 load imb.: force 16.2%  pme mesh/force 0.776
           Step           Time
      227780000   455560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08580e+03    2.00957e+04    1.32756e+04    1.23115e+03   -3.04627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89889e+03    9.26565e+04    4.00829e+05   -2.33904e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63290e+04   -2.44639e+06    4.79712e+05   -1.96668e+06    2.41874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11006e+02   -2.07361e+02    4.94145e+01    6.09475e-06


DD  step 227784999 load imb.: force 16.1%  pme mesh/force 0.757
           Step           Time
      227785000   455570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00950e+03    1.93544e+04    1.30368e+04    1.18541e+03   -2.97418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80688e+03    9.27114e+04    3.97415e+05   -2.33757e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66141e+04   -2.44776e+06    4.80155e+05   -1.96761e+06    2.41880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11293e+02   -2.07100e+02   -9.01802e+01    6.10513e-06


DD  step 227789999 load imb.: force 15.2%  pme mesh/force 0.726
           Step           Time
      227790000   455580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00932e+03    1.91838e+04    1.32630e+04    1.22703e+03   -2.98113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74353e+03    9.24324e+04    4.00353e+05   -2.33678e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67041e+04   -2.44789e+06    4.81735e+05   -1.96615e+06    2.41885e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12317e+02   -2.06961e+02   -5.34882e+00    5.93338e-06


DD  step 227794999 load imb.: force 15.9%  pme mesh/force 0.778
           Step           Time
      227795000   455590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03904e+03    1.92702e+04    1.31546e+04    1.15818e+03   -2.98648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93698e+03    9.26454e+04    3.99492e+05   -2.33529e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65198e+04   -2.44659e+06    4.79143e+05   -1.96744e+06    2.41891e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10637e+02   -2.06697e+02   -7.23483e+00    6.05996e-06


DD  step 227799999 load imb.: force 15.5%  pme mesh/force 0.779
           Step           Time
      227800000   455600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94571e+03    1.95143e+04    1.30532e+04    1.12668e+03   -2.95607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78512e+03    9.26276e+04    4.00332e+05   -2.34119e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64999e+04   -2.44932e+06    4.76883e+05   -1.97244e+06    2.41897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09172e+02   -2.07741e+02   -1.05953e+01    5.91075e-06


DD  step 227804999 load imb.: force 17.4%  pme mesh/force 0.792
           Step           Time
      227805000   455610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97507e+03    1.97094e+04    1.31081e+04    1.11625e+03   -3.01473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83771e+03    9.25832e+04    4.00340e+05   -2.33121e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64392e+04   -2.44641e+06    4.79500e+05   -1.96691e+06    2.41902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10868e+02   -2.05976e+02   -4.18634e+01    5.99501e-06


DD  step 227809999 load imb.: force 16.6%  pme mesh/force 0.766
           Step           Time
      227810000   455620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85345e+03    1.95117e+04    1.30966e+04    1.12672e+03   -3.06351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74314e+03    9.27351e+04    4.00506e+05   -2.34029e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63950e+04   -2.44993e+06    4.77879e+05   -1.97205e+06    2.41908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09817e+02   -2.07583e+02   -4.63102e+01    5.85575e-06


DD  step 227814999 load imb.: force 14.5%  pme mesh/force 0.763
           Step           Time
      227815000   455630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00063e+03    1.96818e+04    1.31174e+04    1.17491e+03   -3.09196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90530e+03    9.28749e+04    4.03237e+05   -2.33907e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65463e+04   -2.44588e+06    4.82698e+05   -1.96318e+06    2.41914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12942e+02   -2.07367e+02    1.01052e+02    6.05490e-06


DD  step 227819999 load imb.: force 14.4%  pme mesh/force 0.771
           Step           Time
      227820000   455640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35023e+03    1.95655e+04    1.30877e+04    1.15390e+03   -2.97867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79912e+03    9.25247e+04    3.99328e+05   -2.34184e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63501e+04   -2.44544e+06    4.79606e+05   -1.96584e+06    2.41920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10937e+02   -2.07857e+02    6.64627e-01    5.94412e-06


DD  step 227824999 load imb.: force 15.2%  pme mesh/force 0.755
           Step           Time
      227825000   455650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94595e+03    1.93732e+04    1.33814e+04    1.16502e+03   -3.17509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77076e+03    9.32221e+04    3.98847e+05   -2.33657e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65496e+04   -2.44680e+06    4.82704e+05   -1.96410e+06    2.41926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12946e+02   -2.06923e+02   -9.97368e+00    5.99363e-06


DD  step 227829999 load imb.: force 13.5%  pme mesh/force 0.747
           Step           Time
      227830000   455660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96895e+03    1.88267e+04    1.31091e+04    1.22558e+03   -3.02584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78498e+03    9.24220e+04    3.98520e+05   -2.33859e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64292e+04   -2.44969e+06    4.78325e+05   -1.97137e+06    2.41931e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10107e+02   -2.07281e+02   -1.01990e+02    5.96735e-06


DD  step 227834999 load imb.: force 14.9%  pme mesh/force 0.756
           Step           Time
      227835000   455670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05157e+03    1.89792e+04    1.29728e+04    1.31571e+03   -2.99510e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75648e+03    9.25278e+04    3.98640e+05   -2.33586e+04   -2.97430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64289e+04   -2.44698e+06    4.79288e+05   -1.96769e+06    2.41937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10731e+02   -2.06798e+02   -4.90177e+01    6.05391e-06


DD  step 227839999 load imb.: force 14.8%  pme mesh/force 0.755
           Step           Time
      227840000   455680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01895e+03    1.96033e+04    1.30138e+04    1.21960e+03   -3.03806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90085e+03    9.25616e+04    4.01225e+05   -2.34100e+04   -2.97894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66273e+04   -2.44822e+06    4.77913e+05   -1.97030e+06    2.41943e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.07708e+02    2.94655e+01    5.93642e-06


DD  step 227844999 load imb.: force 15.9%  pme mesh/force 0.768
           Step           Time
      227845000   455690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02095e+03    1.95886e+04    1.31085e+04    1.13126e+03   -3.02792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80918e+03    9.27162e+04    4.03220e+05   -2.34364e+04   -2.98288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63918e+04   -2.45035e+06    4.79729e+05   -1.97062e+06    2.41949e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11017e+02   -2.08176e+02    7.72518e+01    5.88669e-06


DD  step 227849999 load imb.: force 15.5%  pme mesh/force 0.756
           Step           Time
      227850000   455700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33371e+03    1.91938e+04    1.31847e+04    1.21918e+03   -3.13239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81936e+03    9.24917e+04    4.02116e+05   -2.33853e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65561e+04   -2.44713e+06    4.79676e+05   -1.96745e+06    2.41954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10982e+02   -2.07272e+02    6.34714e+00    5.93455e-06


DD  step 227854999 load imb.: force 15.8%  pme mesh/force 0.767
           Step           Time
      227855000   455710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16252e+03    1.93480e+04    1.30675e+04    1.11721e+03   -3.02664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78929e+03    9.31360e+04    4.03421e+05   -2.33932e+04   -2.98191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66622e+04   -2.44863e+06    4.80263e+05   -1.96836e+06    2.41961e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.07410e+02    9.62459e+01    6.08636e-06


DD  step 227859999 load imb.: force 14.8%  pme mesh/force 0.772
           Step           Time
      227860000   455720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91021e+03    1.92550e+04    1.31372e+04    1.23705e+03   -3.07626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90398e+03    9.28087e+04    4.01443e+05   -2.33638e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63615e+04   -2.44715e+06    4.79684e+05   -1.96747e+06    2.41966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.06889e+02    4.24853e+01    6.08053e-06


DD  step 227864999 load imb.: force 15.8%  pme mesh/force 0.768
           Step           Time
      227865000   455730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89469e+03    1.94716e+04    1.29630e+04    1.20875e+03   -3.12673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97195e+03    9.27314e+04    4.02628e+05   -2.33802e+04   -2.98052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67244e+04   -2.44844e+06    4.80942e+05   -1.96749e+06    2.41972e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11803e+02   -2.07181e+02    1.29009e+02    6.09310e-06


DD  step 227869999 load imb.: force 14.8%  pme mesh/force 0.741
           Step           Time
      227870000   455740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28898e+03    1.94078e+04    1.30961e+04    1.13050e+03   -3.13770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92423e+03    9.23500e+04    3.98624e+05   -2.34205e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65034e+04   -2.44837e+06    4.78926e+05   -1.96945e+06    2.41978e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.07895e+02   -7.07980e+00    6.02916e-06


DD  step 227874999 load imb.: force 15.4%  pme mesh/force 0.777
           Step           Time
      227875000   455750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96428e+03    1.96475e+04    1.29720e+04    1.10071e+03   -3.10172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83110e+03    9.24320e+04    4.03474e+05   -2.34347e+04   -2.98202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64813e+04   -2.44965e+06    4.78334e+05   -1.97132e+06    2.41984e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10112e+02   -2.08146e+02    3.73925e+01    5.90075e-06


DD  step 227879999 load imb.: force 15.6%  pme mesh/force 0.759
           Step           Time
      227880000   455760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71289e+03    1.92734e+04    1.30994e+04    1.16082e+03   -3.01884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78861e+03    9.29266e+04    3.97590e+05   -2.33660e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65622e+04   -2.44904e+06    4.79380e+05   -1.96966e+06    2.41989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10791e+02   -2.06929e+02   -1.20690e+02    5.88198e-06


DD  step 227884999 load imb.: force 15.4%  pme mesh/force 0.755
           Step           Time
      227885000   455770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18322e+03    1.93891e+04    1.31840e+04    1.17088e+03   -3.11080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91111e+03    9.27514e+04    3.99929e+05   -2.33796e+04   -2.97262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65421e+04   -2.44305e+06    4.79809e+05   -1.96324e+06    2.41995e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.07169e+02    6.25232e+01    6.09805e-06


DD  step 227889999 load imb.: force 16.8%  pme mesh/force 0.776
           Step           Time
      227890000   455780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10541e+03    1.96136e+04    1.31525e+04    1.12574e+03   -3.07293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84984e+03    9.24596e+04    3.98855e+05   -2.33573e+04   -2.97260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65145e+04   -2.44436e+06    4.80524e+05   -1.96383e+06    2.42001e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11532e+02   -2.06776e+02   -2.68706e+01    6.24489e-06


DD  step 227894999 load imb.: force 13.9%  pme mesh/force 0.749
           Step           Time
      227895000   455790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15258e+03    1.95357e+04    1.30457e+04    1.22434e+03   -2.96426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81571e+03    9.28064e+04    4.00230e+05   -2.34169e+04   -2.97684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65753e+04   -2.44684e+06    4.80197e+05   -1.96664e+06    2.42007e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.07831e+02    3.32937e+01    5.98795e-06


DD  step 227899999 load imb.: force 14.4%  pme mesh/force 0.786
           Step           Time
      227900000   455800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83867e+03    1.91600e+04    1.30742e+04    1.09600e+03   -3.12502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88119e+03    9.31560e+04    4.02126e+05   -2.33757e+04   -2.97946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64392e+04   -2.44819e+06    4.78544e+05   -1.96965e+06    2.42013e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10248e+02   -2.07100e+02    4.27715e+01    5.88258e-06


DD  step 227904999 load imb.: force 18.9%  pme mesh/force 0.817
           Step           Time
      227905000   455810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.48381e+03    1.93771e+04    1.32604e+04    1.32927e+03   -2.96696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86496e+03    9.28442e+04    4.00577e+05   -2.33606e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65561e+04   -2.44316e+06    4.81239e+05   -1.96192e+06    2.42019e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11996e+02   -2.06834e+02    7.83333e+00    5.92011e-06


DD  step 227909999 load imb.: force 15.8%  pme mesh/force 0.790
           Step           Time
      227910000   455820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86546e+03    1.94130e+04    1.29723e+04    1.16875e+03   -3.08585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79715e+03    9.28914e+04    4.00148e+05   -2.33852e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66213e+04   -2.44838e+06    4.79721e+05   -1.96866e+06    2.42024e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.07268e+02   -2.17363e+01    6.15042e-06


DD  step 227914999 load imb.: force 17.0%  pme mesh/force 0.799
           Step           Time
      227915000   455830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05157e+03    1.95969e+04    1.29459e+04    1.06122e+03   -3.13451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78779e+03    9.25182e+04    4.01741e+05   -2.33584e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66959e+04   -2.44562e+06    4.80448e+05   -1.96517e+06    2.42030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11483e+02   -2.06794e+02    6.22810e+00    6.17482e-06


DD  step 227919999 load imb.: force 14.9%  pme mesh/force 0.769
           Step           Time
      227920000   455840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06417e+03    1.93199e+04    1.33870e+04    1.23092e+03   -3.10476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72229e+03    9.28833e+04    4.00694e+05   -2.33781e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64858e+04   -2.44703e+06    4.79944e+05   -1.96709e+06    2.42036e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11156e+02   -2.07142e+02   -1.49599e+00    6.00707e-06


DD  step 227924999 load imb.: force 15.1%  pme mesh/force 0.758
           Step           Time
      227925000   455850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13522e+03    1.95425e+04    1.31513e+04    1.18163e+03   -3.08567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80339e+03    9.24746e+04    4.02529e+05   -2.33640e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63818e+04   -2.44651e+06    4.80607e+05   -1.96590e+06    2.42042e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.06894e+02    4.28912e+01    6.09018e-06


DD  step 227929999 load imb.: force 16.5%  pme mesh/force 0.796
           Step           Time
      227930000   455860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94289e+03    1.94471e+04    1.32043e+04    1.25745e+03   -3.15550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93685e+03    9.26631e+04    3.97545e+05   -2.33300e+04   -2.97080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65624e+04   -2.44373e+06    4.79759e+05   -1.96397e+06    2.42048e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11036e+02   -2.06292e+02   -4.70784e+00    6.00258e-06


DD  step 227934999 load imb.: force 15.1%  pme mesh/force 0.789
           Step           Time
      227935000   455870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07657e+03    1.93319e+04    1.30869e+04    1.20356e+03   -2.99404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90731e+03    9.25398e+04    4.00747e+05   -2.33804e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65594e+04   -2.44906e+06    4.79846e+05   -1.96921e+06    2.42054e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11093e+02   -2.07184e+02    9.26097e+00    6.06389e-06


DD  step 227939999 load imb.: force 15.4%  pme mesh/force 0.769
           Step           Time
      227940000   455880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04642e+03    1.93675e+04    1.31574e+04    1.20804e+03   -3.13206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79718e+03    9.27087e+04    4.01080e+05   -2.33834e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64404e+04   -2.44838e+06    4.79807e+05   -1.96858e+06    2.42060e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.07238e+02    3.42340e+01    5.95183e-06


DD  step 227944999 load imb.: force 16.6%  pme mesh/force 0.808
           Step           Time
      227945000   455890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12162e+03    1.87603e+04    1.31914e+04    1.16738e+03   -3.10766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80016e+03    9.36499e+04    4.01701e+05   -2.33660e+04   -2.97974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66418e+04   -2.44818e+06    4.78338e+05   -1.96985e+06    2.42066e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10115e+02   -2.06929e+02   -4.43616e+00    6.04954e-06


DD  step 227949999 load imb.: force 14.7%  pme mesh/force 0.765
           Step           Time
      227950000   455900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00836e+03    1.95806e+04    1.30983e+04    1.13902e+03   -3.03278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95048e+03    9.26677e+04    3.97053e+05   -2.33435e+04   -2.97167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65122e+04   -2.44504e+06    4.80407e+05   -1.96463e+06    2.42071e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11457e+02   -2.06531e+02   -6.97019e+01    6.17999e-06


DD  step 227954999 load imb.: force 19.4%  pme mesh/force 0.793
           Step           Time
      227955000   455910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88263e+03    1.93696e+04    1.32754e+04    1.14848e+03   -3.03180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88715e+03    9.32825e+04    4.00482e+05   -2.34117e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65539e+04   -2.44888e+06    4.80108e+05   -1.96877e+06    2.42077e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.07738e+02    2.85263e+01    5.90947e-06


DD  step 227959999 load imb.: force 15.2%  pme mesh/force 0.801
           Step           Time
      227960000   455920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98217e+03    1.98074e+04    1.31838e+04    1.22084e+03   -3.15487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81586e+03    9.29490e+04    3.99609e+05   -2.33811e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64795e+04   -2.44639e+06    4.81633e+05   -1.96476e+06    2.42083e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12251e+02   -2.07197e+02    1.01411e+01    6.04931e-06


DD  step 227964999 load imb.: force 16.5%  pme mesh/force 0.771
           Step           Time
      227965000   455930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11962e+03    1.94499e+04    1.32054e+04    1.16435e+03   -3.15092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80952e+03    9.26623e+04    4.00130e+05   -2.34027e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65575e+04   -2.44884e+06    4.78240e+05   -1.97060e+06    2.42089e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10051e+02   -2.07579e+02   -2.73200e+01    5.88951e-06


DD  step 227969999 load imb.: force 17.4%  pme mesh/force 0.797
           Step           Time
      227970000   455940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90857e+03    1.91795e+04    1.33031e+04    1.10894e+03   -3.15074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91852e+03    9.26692e+04    4.03056e+05   -2.34407e+04   -2.98085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64126e+04   -2.44889e+06    4.81517e+05   -1.96737e+06    2.42094e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.08252e+02    1.36762e+02    6.05505e-06


DD  step 227974999 load imb.: force 17.3%  pme mesh/force 0.801
           Step           Time
      227975000   455950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24190e+03    1.96834e+04    1.32196e+04    1.21087e+03   -3.16268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67679e+03    9.25894e+04    4.01149e+05   -2.34011e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66566e+04   -2.44686e+06    4.81912e+05   -1.96495e+06    2.42101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12432e+02   -2.07551e+02    4.16575e+01    6.10385e-06


DD  step 227979999 load imb.: force 14.4%  pme mesh/force 0.761
           Step           Time
      227980000   455960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03028e+03    1.92409e+04    1.30120e+04    1.12818e+03   -3.04824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80030e+03    9.28652e+04    4.01261e+05   -2.33562e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64127e+04   -2.44691e+06    4.79180e+05   -1.96773e+06    2.42106e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10661e+02   -2.06756e+02   -1.41322e+01    6.05083e-06


DD  step 227984999 load imb.: force 16.6%  pme mesh/force 0.800
           Step           Time
      227985000   455970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96684e+03    1.93805e+04    1.32341e+04    1.17476e+03   -3.18163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77683e+03    9.27572e+04    3.99408e+05   -2.33391e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65876e+04   -2.44602e+06    4.81568e+05   -1.96445e+06    2.42112e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12209e+02   -2.06454e+02   -3.89591e+01    6.16137e-06

Writing checkpoint, step 227985050 at Wed Nov  8 01:31:28 2023



DD  step 227989999 load imb.: force 14.7%  pme mesh/force 0.765
           Step           Time
      227990000   455980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22043e+03    1.96108e+04    1.29908e+04    1.17754e+03   -3.01341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84780e+03    9.23862e+04    3.99326e+05   -2.33658e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66327e+04   -2.44479e+06    4.81161e+05   -1.96363e+06    2.42118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.06926e+02   -5.47417e+00    6.18143e-06


DD  step 227994999 load imb.: force 13.2%  pme mesh/force 0.753
           Step           Time
      227995000   455990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68210e+03    1.94601e+04    1.29378e+04    1.24354e+03   -3.05330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91193e+03    9.30953e+04    3.99845e+05   -2.33971e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64367e+04   -2.44839e+06    4.82052e+05   -1.96634e+06    2.42123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12523e+02   -2.07480e+02    2.44006e+01    5.92497e-06


DD  step 227999999 load imb.: force 16.1%  pme mesh/force 0.745
           Step           Time
      228000000   456000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02086e+03    1.95419e+04    1.30901e+04    1.15436e+03   -3.18706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88244e+03    9.28867e+04    4.00732e+05   -2.34148e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65447e+04   -2.44677e+06    4.81594e+05   -1.96518e+06    2.42129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12226e+02   -2.07793e+02    3.29780e+01    6.05240e-06


DD  step 228004999 load imb.: force 14.3%  pme mesh/force 0.818
           Step           Time
      228005000   456010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24889e+03    1.96798e+04    1.29484e+04    1.20851e+03   -3.05758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74896e+03    9.23999e+04    3.99819e+05   -2.33683e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66256e+04   -2.44509e+06    4.78998e+05   -1.96609e+06    2.42135e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10543e+02   -2.06969e+02   -5.83723e+01    6.25766e-06


DD  step 228009999 load imb.: force 15.0%  pme mesh/force 0.771
           Step           Time
      228010000   456020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07973e+03    1.93525e+04    1.31826e+04    1.16727e+03   -3.12004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71272e+03    9.29542e+04    4.02876e+05   -2.33850e+04   -2.98103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67043e+04   -2.44850e+06    4.79277e+05   -1.96922e+06    2.42141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10724e+02   -2.07264e+02    3.37710e+01    6.07564e-06


DD  step 228014999 load imb.: force 15.5%  pme mesh/force 0.777
           Step           Time
      228015000   456030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06318e+03    1.96106e+04    1.30430e+04    1.23669e+03   -3.13214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82658e+03    9.32555e+04    4.01178e+05   -2.33746e+04   -2.97910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63774e+04   -2.44801e+06    4.79962e+05   -1.96805e+06    2.42147e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.07082e+02    3.03327e+01    6.07876e-06


DD  step 228019999 load imb.: force 16.0%  pme mesh/force 0.762
           Step           Time
      228020000   456040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07504e+03    1.96942e+04    1.31418e+04    1.25269e+03   -3.17990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80145e+03    9.29932e+04    3.99126e+05   -2.33510e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64949e+04   -2.44748e+06    4.80605e+05   -1.96688e+06    2.42152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11585e+02   -2.06665e+02   -7.51532e+01    6.19138e-06


DD  step 228024999 load imb.: force 15.3%  pme mesh/force 0.796
           Step           Time
      228025000   456050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99869e+03    1.92234e+04    1.31216e+04    1.25641e+03   -3.11989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89318e+03    9.31994e+04    4.00820e+05   -2.33850e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63852e+04   -2.44763e+06    4.80319e+05   -1.96732e+06    2.42158e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11400e+02   -2.07266e+02    4.36519e+01    6.35405e-06


DD  step 228029999 load imb.: force 14.1%  pme mesh/force 0.758
           Step           Time
      228030000   456060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00992e+03    1.97089e+04    1.29020e+04    1.12619e+03   -3.11194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77578e+03    9.30201e+04    3.99363e+05   -2.33722e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63144e+04   -2.44825e+06    4.80423e+05   -1.96782e+06    2.42164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11467e+02   -2.07038e+02   -9.25910e+01    6.03237e-06


DD  step 228034999 load imb.: force 14.5%  pme mesh/force 0.743
           Step           Time
      228035000   456070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06607e+03    1.94135e+04    1.32185e+04    1.20912e+03   -3.11975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83399e+03    9.29612e+04    4.01137e+05   -2.33891e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64533e+04   -2.44878e+06    4.80947e+05   -1.96784e+06    2.42170e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11807e+02   -2.07338e+02   -6.22844e+00    6.16995e-06


DD  step 228039999 load imb.: force 16.1%  pme mesh/force 0.771
           Step           Time
      228040000   456080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86702e+03    1.92578e+04    1.32707e+04    1.19574e+03   -3.08767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78851e+03    9.36393e+04    3.99456e+05   -2.33703e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65031e+04   -2.44482e+06    4.80121e+05   -1.96470e+06    2.42175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11271e+02   -2.07005e+02   -1.90811e+01    6.15694e-06


DD  step 228044999 load imb.: force 14.0%  pme mesh/force 0.759
           Step           Time
      228045000   456090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91883e+03    1.98963e+04    1.30660e+04    1.15220e+03   -3.02961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84475e+03    9.28142e+04    4.00341e+05   -2.33881e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65901e+04   -2.44641e+06    4.79884e+05   -1.96652e+06    2.42181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.07320e+02    1.75731e+01    6.14424e-06


DD  step 228049999 load imb.: force 14.3%  pme mesh/force 0.735
           Step           Time
      228050000   456100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02053e+03    1.90556e+04    1.31563e+04    1.12381e+03   -3.06106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77638e+03    9.30691e+04    3.98125e+05   -2.33925e+04   -2.97197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67010e+04   -2.44440e+06    4.78021e+05   -1.96638e+06    2.42187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09909e+02   -2.07398e+02   -1.89935e+01    6.16346e-06


DD  step 228054999 load imb.: force 14.6%  pme mesh/force 0.744
           Step           Time
      228055000   456110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97521e+03    1.97767e+04    1.30904e+04    1.22333e+03   -3.03642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90044e+03    9.29349e+04    4.00015e+05   -2.33765e+04   -2.97265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65528e+04   -2.44260e+06    4.81496e+05   -1.96110e+06    2.42193e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12163e+02   -2.07115e+02    6.81809e+01    6.13158e-06


DD  step 228059999 load imb.: force 15.5%  pme mesh/force 0.757
           Step           Time
      228060000   456120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29220e+03    1.93926e+04    1.31410e+04    1.16742e+03   -3.07563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89930e+03    9.27073e+04    4.01322e+05   -2.33733e+04   -2.97714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65349e+04   -2.44613e+06    4.80876e+05   -1.96526e+06    2.42199e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11760e+02   -2.07059e+02    9.92361e+00    5.88989e-06


DD  step 228064999 load imb.: force 15.6%  pme mesh/force 0.773
           Step           Time
      228065000   456130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94019e+03    1.95553e+04    1.30949e+04    1.15377e+03   -3.05975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87175e+03    9.31262e+04    4.00214e+05   -2.33540e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65574e+04   -2.44853e+06    4.79775e+05   -1.96875e+06    2.42205e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.06717e+02    8.58411e+00    6.10135e-06


DD  step 228069999 load imb.: force 14.5%  pme mesh/force 0.756
           Step           Time
      228070000   456140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29862e+03    1.94983e+04    1.31297e+04    1.19441e+03   -3.06044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68111e+03    9.33046e+04    3.99518e+05   -2.33261e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65748e+04   -2.44541e+06    4.80363e+05   -1.96504e+06    2.42211e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11428e+02   -2.06223e+02   -6.09739e+01    6.13138e-06


DD  step 228074999 load imb.: force 14.7%  pme mesh/force 0.779
           Step           Time
      228075000   456150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29151e+03    1.93558e+04    1.31456e+04    1.18244e+03   -3.05611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90592e+03    9.33279e+04    3.97004e+05   -2.33367e+04   -2.97218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66499e+04   -2.44471e+06    4.81202e+05   -1.96351e+06    2.42217e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11972e+02   -2.06412e+02   -6.58544e+01    6.13010e-06


DD  step 228079999 load imb.: force 16.2%  pme mesh/force 0.781
           Step           Time
      228080000   456160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03949e+03    1.94835e+04    1.31427e+04    1.13898e+03   -3.01060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82261e+03    9.27162e+04    3.99358e+05   -2.33359e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64091e+04   -2.44747e+06    4.78636e+05   -1.96883e+06    2.42223e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10308e+02   -2.06398e+02   -5.24080e+01    6.03258e-06


DD  step 228084999 load imb.: force 15.4%  pme mesh/force 0.783
           Step           Time
      228085000   456170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98721e+03    1.94778e+04    1.30779e+04    1.12882e+03   -3.05175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77242e+03    9.34136e+04    3.99118e+05   -2.33459e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64652e+04   -2.44641e+06    4.81500e+05   -1.96491e+06    2.42228e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12165e+02   -2.06574e+02   -7.50257e+01    6.11528e-06


DD  step 228089999 load imb.: force 13.4%  pme mesh/force 0.748
           Step           Time
      228090000   456180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09372e+03    1.92492e+04    1.31372e+04    1.28939e+03   -3.00829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82460e+03    9.27561e+04    4.02216e+05   -2.33813e+04   -2.97866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63525e+04   -2.44713e+06    4.79763e+05   -1.96736e+06    2.42234e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.07200e+02    3.40830e+01    6.01253e-06


DD  step 228094999 load imb.: force 16.2%  pme mesh/force 0.775
           Step           Time
      228095000   456190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04026e+03    1.96532e+04    1.29819e+04    1.18199e+03   -3.03988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86798e+03    9.33674e+04    3.93264e+05   -2.33405e+04   -2.96766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66681e+04   -2.44401e+06    4.78166e+05   -1.96585e+06    2.42240e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10003e+02   -2.06479e+02   -1.99443e+02    6.01667e-06


DD  step 228099999 load imb.: force 14.5%  pme mesh/force 0.754
           Step           Time
      228100000   456200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97001e+03    1.89421e+04    1.29271e+04    1.13309e+03   -3.09210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76366e+03    9.31783e+04    4.00708e+05   -2.34075e+04   -2.97983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65217e+04   -2.45019e+06    4.76625e+05   -1.97356e+06    2.42246e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09004e+02   -2.07664e+02   -4.80785e+00    5.88625e-06


DD  step 228104999 load imb.: force 15.7%  pme mesh/force 0.758
           Step           Time
      228105000   456210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.55526e+03    1.94188e+04    1.31027e+04    1.17240e+03   -2.97589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88879e+03    9.29852e+04    4.01262e+05   -2.33896e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62927e+04   -2.44750e+06    4.78598e+05   -1.96891e+06    2.42252e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10284e+02   -2.07347e+02    9.94147e+01    6.01904e-06


DD  step 228109999 load imb.: force 15.2%  pme mesh/force 0.761
           Step           Time
      228110000   456220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23266e+03    1.92360e+04    1.31799e+04    1.12681e+03   -3.03173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86521e+03    9.32600e+04    4.01646e+05   -2.33918e+04   -2.97978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66675e+04   -2.44799e+06    4.80878e+05   -1.96711e+06    2.42258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11762e+02   -2.07385e+02   -1.47311e+01    6.05111e-06


DD  step 228114999 load imb.: force 15.0%  pme mesh/force 0.771
           Step           Time
      228115000   456230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08153e+03    1.92512e+04    1.33370e+04    1.20841e+03   -3.14161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87912e+03    9.33805e+04    4.01336e+05   -2.34233e+04   -2.98055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64154e+04   -2.44922e+06    4.81789e+05   -1.96744e+06    2.42263e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12352e+02   -2.07945e+02    5.59740e+01    5.96792e-06


DD  step 228119999 load imb.: force 14.7%  pme mesh/force 0.784
           Step           Time
      228120000   456240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08152e+03    1.97546e+04    1.29113e+04    1.24658e+03   -3.03417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78452e+03    9.31948e+04    3.99796e+05   -2.33619e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64936e+04   -2.44476e+06    4.78495e+05   -1.96626e+06    2.42270e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10217e+02   -2.06857e+02   -3.39861e+00    5.90371e-06


DD  step 228124999 load imb.: force 14.6%  pme mesh/force 0.743
           Step           Time
      228125000   456250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04251e+03    1.92742e+04    1.31124e+04    1.20399e+03   -3.16525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75246e+03    9.32995e+04    4.02944e+05   -2.33703e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63880e+04   -2.44742e+06    4.80027e+05   -1.96739e+06    2.42275e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.07006e+02    4.71137e+01    6.13711e-06


DD  step 228129999 load imb.: force 14.2%  pme mesh/force 0.735
           Step           Time
      228130000   456260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94469e+03    1.92499e+04    1.29863e+04    1.15419e+03   -3.11806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02451e+03    9.32397e+04    4.00823e+05   -2.33755e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65229e+04   -2.44702e+06    4.79846e+05   -1.96718e+06    2.42281e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11093e+02   -2.07097e+02    5.03304e+01    6.25224e-06


DD  step 228134999 load imb.: force 14.7%  pme mesh/force 0.779
           Step           Time
      228135000   456270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88269e+03    1.95927e+04    1.29980e+04    1.24828e+03   -3.10972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88194e+03    9.29120e+04    3.99274e+05   -2.33535e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64937e+04   -2.44624e+06    4.79330e+05   -1.96691e+06    2.42287e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.06708e+02   -7.83167e+01    6.12843e-06


DD  step 228139999 load imb.: force 14.8%  pme mesh/force 0.769
           Step           Time
      228140000   456280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82163e+03    1.95824e+04    1.29143e+04    1.22242e+03   -3.01648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87531e+03    9.32213e+04    3.99181e+05   -2.32951e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67010e+04   -2.44704e+06    4.77009e+05   -1.97003e+06    2.42293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09253e+02   -2.05677e+02   -7.24406e+01    6.22739e-06


DD  step 228144999 load imb.: force 13.4%  pme mesh/force 0.760
           Step           Time
      228145000   456290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93506e+03    1.96897e+04    1.31885e+04    1.13261e+03   -3.17325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84188e+03    9.31630e+04    3.98873e+05   -2.33426e+04   -2.97381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65061e+04   -2.44500e+06    4.80706e+05   -1.96429e+06    2.42299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11650e+02   -2.06515e+02   -3.21814e+01    6.28791e-06


DD  step 228149999 load imb.: force 18.3%  pme mesh/force 0.800
           Step           Time
      228150000   456300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88986e+03    1.98579e+04    1.30217e+04    1.21313e+03   -3.11812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79209e+03    9.30500e+04    4.02464e+05   -2.33453e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65564e+04   -2.44542e+06    4.81428e+05   -1.96399e+06    2.42304e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12118e+02   -2.06562e+02    7.06915e+01    6.27423e-06


DD  step 228154999 load imb.: force 16.5%  pme mesh/force 0.774
           Step           Time
      228155000   456310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18193e+03    1.94285e+04    1.29484e+04    1.24545e+03   -3.10459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91115e+03    9.30816e+04    3.99994e+05   -2.33249e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66302e+04   -2.44481e+06    4.80147e+05   -1.96466e+06    2.42310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11288e+02   -2.06203e+02   -5.47290e+01    6.11339e-06


DD  step 228159999 load imb.: force 14.7%  pme mesh/force 0.766
           Step           Time
      228160000   456320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07998e+03    1.93309e+04    1.30156e+04    1.12770e+03   -3.04860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92229e+03    9.28901e+04    4.00168e+05   -2.33845e+04   -2.97717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66226e+04   -2.44745e+06    4.79619e+05   -1.96783e+06    2.42316e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10945e+02   -2.07257e+02    6.80917e+00    6.34116e-06


DD  step 228164999 load imb.: force 15.5%  pme mesh/force 0.767
           Step           Time
      228165000   456330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04899e+03    1.94730e+04    1.28784e+04    1.15814e+03   -3.08917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82465e+03    9.31030e+04    4.03500e+05   -2.33524e+04   -2.98120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65465e+04   -2.44811e+06    4.80846e+05   -1.96726e+06    2.42322e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11741e+02   -2.06689e+02    1.72804e+01    6.09259e-06


DD  step 228169999 load imb.: force 14.9%  pme mesh/force 0.762
           Step           Time
      228170000   456340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07732e+03    1.95368e+04    1.28436e+04    1.12398e+03   -2.95626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91320e+03    9.27596e+04    4.00801e+05   -2.34103e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66617e+04   -2.44765e+06    4.81842e+05   -1.96581e+06    2.42327e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12386e+02   -2.07713e+02    4.04996e+01    6.16483e-06


DD  step 228174999 load imb.: force 16.8%  pme mesh/force 0.811
           Step           Time
      228175000   456350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09338e+03    1.95950e+04    1.32308e+04    1.31381e+03   -3.04824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80097e+03    9.33684e+04    3.98200e+05   -2.33406e+04   -2.96961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65033e+04   -2.44089e+06    4.80307e+05   -1.96059e+06    2.42333e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.06480e+02   -3.03160e+01    6.38897e-06


DD  step 228179999 load imb.: force 15.7%  pme mesh/force 0.815
           Step           Time
      228180000   456360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07473e+03    1.95470e+04    1.31615e+04    1.20958e+03   -2.98106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71557e+03    9.32090e+04    4.01145e+05   -2.33161e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64945e+04   -2.44537e+06    4.79281e+05   -1.96609e+06    2.42339e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.06048e+02   -5.25544e+01    6.30496e-06


DD  step 228184999 load imb.: force 14.7%  pme mesh/force 0.757
           Step           Time
      228185000   456370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94982e+03    1.93296e+04    1.29746e+04    1.19475e+03   -3.02990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81578e+03    9.30941e+04    4.03026e+05   -2.33705e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64656e+04   -2.44622e+06    4.80152e+05   -1.96607e+06    2.42345e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.07008e+02    5.62406e+01    5.97846e-06


DD  step 228189999 load imb.: force 16.7%  pme mesh/force 0.814
           Step           Time
      228190000   456380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03195e+03    1.99415e+04    1.30121e+04    1.24929e+03   -3.06856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72578e+03    9.27142e+04    3.99004e+05   -2.33928e+04   -2.97347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64105e+04   -2.44484e+06    4.79206e+05   -1.96564e+06    2.42350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.07404e+02   -1.23524e+01    6.09517e-06


DD  step 228194999 load imb.: force 17.2%  pme mesh/force 0.784
           Step           Time
      228195000   456390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78382e+03    1.94392e+04    1.31643e+04    1.18046e+03   -3.06975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87688e+03    9.29083e+04    4.02196e+05   -2.33721e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64335e+04   -2.44719e+06    4.79895e+05   -1.96730e+06    2.42356e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11124e+02   -2.07038e+02    6.43256e+01    6.05667e-06


DD  step 228199999 load imb.: force 15.6%  pme mesh/force 0.782
           Step           Time
      228200000   456400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81259e+03    1.94919e+04    1.30262e+04    1.12406e+03   -3.04125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76948e+03    9.29950e+04    4.02268e+05   -2.33687e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65241e+04   -2.44665e+06    4.79017e+05   -1.96763e+06    2.42362e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.06977e+02    3.62247e+01    6.22953e-06


DD  step 228204999 load imb.: force 14.6%  pme mesh/force 0.768
           Step           Time
      228205000   456410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87366e+03    1.91486e+04    1.29537e+04    1.15333e+03   -3.08593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78257e+03    9.32806e+04    4.03060e+05   -2.33523e+04   -2.98123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66920e+04   -2.44873e+06    4.78954e+05   -1.96977e+06    2.42367e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10515e+02   -2.06687e+02    8.02185e+00    6.00025e-06


DD  step 228209999 load imb.: force 14.8%  pme mesh/force 0.768
           Step           Time
      228210000   456420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07640e+03    1.92669e+04    1.30978e+04    1.15416e+03   -3.09495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89243e+03    9.35028e+04    3.97998e+05   -2.34035e+04   -2.97544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65623e+04   -2.44739e+06    4.78571e+05   -1.96882e+06    2.42373e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10266e+02   -2.07593e+02   -6.13337e+01    6.14217e-06


DD  step 228214999 load imb.: force 15.6%  pme mesh/force 0.791
           Step           Time
      228215000   456430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21724e+03    1.93254e+04    1.32828e+04    1.27763e+03   -3.13539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77971e+03    9.33786e+04    3.97382e+05   -2.33427e+04   -2.97231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68077e+04   -2.44433e+06    4.80393e+05   -1.96394e+06    2.42379e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11447e+02   -2.06518e+02   -9.61644e+01    6.15360e-06


DD  step 228219999 load imb.: force 16.3%  pme mesh/force 0.792
           Step           Time
      228220000   456440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22617e+03    1.93425e+04    1.32398e+04    1.19723e+03   -2.89691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79417e+03    9.25262e+04    4.01271e+05   -2.33436e+04   -2.97881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63299e+04   -2.44813e+06    4.79426e+05   -1.96870e+06    2.42385e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10820e+02   -2.06532e+02    4.26881e+00    5.98758e-06


DD  step 228224999 load imb.: force 14.8%  pme mesh/force 0.787
           Step           Time
      228225000   456450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05724e+03    1.91075e+04    1.30979e+04    1.20383e+03   -3.00224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88916e+03    9.34903e+04    4.02047e+05   -2.33215e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65197e+04   -2.44392e+06    4.78382e+05   -1.96554e+06    2.42391e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10144e+02   -2.06142e+02    4.54132e+01    6.10788e-06


DD  step 228229999 load imb.: force 15.2%  pme mesh/force 0.775
           Step           Time
      228230000   456460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36644e+03    1.95772e+04    1.29404e+04    1.17918e+03   -3.00100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91357e+03    9.30290e+04    3.98003e+05   -2.33812e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64713e+04   -2.44757e+06    4.81859e+05   -1.96571e+06    2.42396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12398e+02   -2.07198e+02   -6.61712e+01    5.87817e-06


DD  step 228234999 load imb.: force 16.4%  pme mesh/force 0.764
           Step           Time
      228235000   456470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98210e+03    1.92500e+04    1.31214e+04    1.07728e+03   -2.93992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89132e+03    9.33761e+04    3.98593e+05   -2.33813e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65444e+04   -2.44817e+06    4.79744e+05   -1.96843e+06    2.42402e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11026e+02   -2.07200e+02   -3.70957e+01    5.99511e-06


DD  step 228239999 load imb.: force 16.0%  pme mesh/force 0.807
           Step           Time
      228240000   456480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03551e+03    1.98488e+04    1.28612e+04    1.21088e+03   -2.96995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82373e+03    9.34243e+04    3.99468e+05   -2.33596e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65738e+04   -2.44731e+06    4.79001e+05   -1.96831e+06    2.42408e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10545e+02   -2.06817e+02   -5.44613e+01    5.94556e-06


DD  step 228244999 load imb.: force 14.6%  pme mesh/force 0.751
           Step           Time
      228245000   456490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01111e+03    1.93969e+04    1.28380e+04    1.17716e+03   -3.05100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75498e+03    9.34224e+04    3.99204e+05   -2.34008e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63282e+04   -2.44981e+06    4.79666e+05   -1.97015e+06    2.42413e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10976e+02   -2.07546e+02   -1.29130e+02    6.10971e-06


DD  step 228249999 load imb.: force 15.7%  pme mesh/force 0.774
           Step           Time
      228250000   456500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03833e+03    1.92192e+04    1.31020e+04    1.19058e+03   -2.99225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84609e+03    9.35781e+04    4.02418e+05   -2.33478e+04   -2.98179e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66639e+04   -2.44908e+06    4.80497e+05   -1.96858e+06    2.42419e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11515e+02   -2.06608e+02    4.15658e+01    6.14010e-06


DD  step 228254999 load imb.: force 15.5%  pme mesh/force 0.769
           Step           Time
      228255000   456510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02936e+03    1.96577e+04    1.30433e+04    1.18505e+03   -3.04032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79948e+03    9.33614e+04    3.99109e+05   -2.33786e+04   -2.97391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65070e+04   -2.44464e+06    4.78251e+05   -1.96639e+06    2.42426e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10059e+02   -2.07152e+02   -1.10546e+02    6.01213e-06


DD  step 228259999 load imb.: force 14.2%  pme mesh/force 0.729
           Step           Time
      228260000   456520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19620e+03    1.93129e+04    1.30782e+04    1.20196e+03   -3.05036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81860e+03    9.32369e+04    4.00859e+05   -2.34179e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65253e+04   -2.44833e+06    4.78918e+05   -1.96942e+06    2.42431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.07849e+02   -7.40051e-03    6.13052e-06


DD  step 228264999 load imb.: force 14.9%  pme mesh/force 0.734
           Step           Time
      228265000   456530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02570e+03    1.91770e+04    1.31249e+04    1.19654e+03   -3.08609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78545e+03    9.29626e+04    3.99851e+05   -2.33995e+04   -2.97894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64880e+04   -2.44982e+06    4.78520e+05   -1.97130e+06    2.42437e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10233e+02   -2.07522e+02   -3.12472e+01    6.24582e-06


DD  step 228269999 load imb.: force 16.7%  pme mesh/force 0.796
           Step           Time
      228270000   456540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95799e+03    1.91978e+04    1.28680e+04    1.12397e+03   -3.02812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96572e+03    9.33299e+04    4.02670e+05   -2.34105e+04   -2.97992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65881e+04   -2.44765e+06    4.79990e+05   -1.96766e+06    2.42443e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11186e+02   -2.07716e+02    1.29717e+02    5.97572e-06


DD  step 228274999 load imb.: force 18.3%  pme mesh/force 0.793
           Step           Time
      228275000   456550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97072e+03    1.94717e+04    1.29679e+04    1.03977e+03   -3.09066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92697e+03    9.29241e+04    3.98840e+05   -2.33714e+04   -2.97399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66204e+04   -2.44569e+06    4.80941e+05   -1.96475e+06    2.42448e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11803e+02   -2.07025e+02   -2.37152e-01    5.93989e-06


DD  step 228279999 load imb.: force 16.6%  pme mesh/force 0.777
           Step           Time
      228280000   456560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10846e+03    1.96078e+04    1.29829e+04    1.09451e+03   -3.00968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83270e+03    9.32263e+04    3.98512e+05   -2.33085e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62989e+04   -2.44623e+06    4.81116e+05   -1.96511e+06    2.42454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11916e+02   -2.05913e+02   -8.50147e+01    6.01380e-06


DD  step 228284999 load imb.: force 18.5%  pme mesh/force 0.804
           Step           Time
      228285000   456570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12343e+03    1.95784e+04    1.30074e+04    1.11073e+03   -2.91781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71461e+03    9.32229e+04    4.00228e+05   -2.33550e+04   -2.97560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66412e+04   -2.44525e+06    4.82130e+05   -1.96312e+06    2.42460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12574e+02   -2.06735e+02   -3.91102e+01    6.08450e-06


DD  step 228289999 load imb.: force 15.6%  pme mesh/force 0.773
           Step           Time
      228290000   456580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85374e+03    1.92270e+04    1.30088e+04    1.15349e+03   -3.01126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94113e+03    9.33650e+04    4.00241e+05   -2.33921e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63365e+04   -2.44637e+06    4.79393e+05   -1.96698e+06    2.42466e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.07391e+02   -1.01848e+01    6.12021e-06


DD  step 228294999 load imb.: force 15.8%  pme mesh/force 0.788
           Step           Time
      228295000   456590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13318e+03    1.96301e+04    1.33535e+04    1.16485e+03   -3.04865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82155e+03    9.27553e+04    3.98364e+05   -2.33118e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66327e+04   -2.44613e+06    4.79783e+05   -1.96635e+06    2.42472e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.05971e+02   -1.12656e+02    5.93332e-06


DD  step 228299999 load imb.: force 16.1%  pme mesh/force 0.758
           Step           Time
      228300000   456600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91487e+03    1.91403e+04    1.31450e+04    1.12145e+03   -3.02484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80957e+03    9.30338e+04    3.97989e+05   -2.33702e+04   -2.97464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64335e+04   -2.44745e+06    4.76710e+05   -1.97074e+06    2.42477e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09060e+02   -2.07004e+02   -8.10157e+01    6.00810e-06


DD  step 228304999 load imb.: force 15.1%  pme mesh/force 0.749
           Step           Time
      228305000   456610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05124e+03    1.92960e+04    1.32238e+04    1.19360e+03   -2.98820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81598e+03    9.32852e+04    4.01500e+05   -2.33902e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65473e+04   -2.44855e+06    4.81899e+05   -1.96665e+06    2.42483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12424e+02   -2.07358e+02    9.03531e+00    6.10970e-06


DD  step 228309999 load imb.: force 15.6%  pme mesh/force 0.808
           Step           Time
      228310000   456620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12521e+03    1.92254e+04    1.30090e+04    1.21142e+03   -3.00625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83840e+03    9.33233e+04    4.01394e+05   -2.34507e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63616e+04   -2.44713e+06    4.80285e+05   -1.96684e+06    2.42489e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11377e+02   -2.08430e+02    8.40779e+01    5.97642e-06


DD  step 228314999 load imb.: force 15.5%  pme mesh/force 0.792
           Step           Time
      228315000   456630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93184e+03    1.93304e+04    1.31891e+04    1.18833e+03   -2.94468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88823e+03    9.33267e+04    4.02429e+05   -2.34083e+04   -2.97948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64038e+04   -2.44714e+06    4.78704e+05   -1.96844e+06    2.42494e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10353e+02   -2.07679e+02    3.28606e+01    5.89968e-06


DD  step 228319999 load imb.: force 16.9%  pme mesh/force 0.799
           Step           Time
      228320000   456640.00000

Writing checkpoint, step 228320000 at Wed Nov  8 01:46:28 2023


   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11326e+03    1.95921e+04    1.31321e+04    1.18851e+03   -3.03441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71165e+03    9.33611e+04    3.99166e+05   -2.33517e+04   -2.97352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64870e+04   -2.44415e+06    4.78868e+05   -1.96528e+06    2.42501e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10459e+02   -2.06675e+02   -6.73482e+01    6.11896e-06


DD  step 228324999 load imb.: force 17.0%  pme mesh/force 0.822
           Step           Time
      228325000   456650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23856e+03    1.93243e+04    1.30603e+04    1.13577e+03   -2.93245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85172e+03    9.25896e+04    4.00720e+05   -2.33520e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64126e+04   -2.44744e+06    4.76805e+05   -1.97063e+06    2.42506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09121e+02   -2.06682e+02   -2.66451e+01    6.06647e-06


DD  step 228329999 load imb.: force 15.4%  pme mesh/force 0.769
           Step           Time
      228330000   456660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99104e+03    1.93174e+04    1.29956e+04    1.22265e+03   -2.89095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76250e+03    9.26784e+04    3.98547e+05   -2.33402e+04   -2.97528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66634e+04   -2.44733e+06    4.78876e+05   -1.96846e+06    2.42512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.06473e+02   -1.60626e+02    6.00144e-06


DD  step 228334999 load imb.: force 15.0%  pme mesh/force 0.787
           Step           Time
      228335000   456670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19088e+03    1.95072e+04    1.33271e+04    1.16815e+03   -2.99598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84056e+03    9.32663e+04    3.98623e+05   -2.33757e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67222e+04   -2.44491e+06    4.78610e+05   -1.96630e+06    2.42518e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10291e+02   -2.07101e+02   -5.68595e+01    5.99633e-06


DD  step 228339999 load imb.: force 16.3%  pme mesh/force 0.805
           Step           Time
      228340000   456680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06198e+03    1.96542e+04    1.29489e+04    1.19559e+03   -2.92427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87564e+03    9.29779e+04    3.99462e+05   -2.34194e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64706e+04   -2.44907e+06    4.79704e+05   -1.96937e+06    2.42524e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11001e+02   -2.07875e+02    3.66165e+00    5.98502e-06


DD  step 228344999 load imb.: force 15.3%  pme mesh/force 0.782
           Step           Time
      228345000   456690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20783e+03    1.89625e+04    1.30609e+04    1.10171e+03   -2.95796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74322e+03    9.36982e+04    4.01355e+05   -2.33862e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64510e+04   -2.44723e+06    4.77849e+05   -1.96938e+06    2.42529e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09798e+02   -2.07287e+02   -1.78729e+01    6.00766e-06


DD  step 228349999 load imb.: force 14.9%  pme mesh/force 0.769
           Step           Time
      228350000   456700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33341e+03    1.93925e+04    1.31125e+04    1.09257e+03   -2.98752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75852e+03    9.29190e+04    3.98676e+05   -2.33536e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65050e+04   -2.44682e+06    4.79435e+05   -1.96739e+06    2.42535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10826e+02   -2.06710e+02   -1.08817e+02    6.11147e-06


DD  step 228354999 load imb.: force 15.4%  pme mesh/force 0.780
           Step           Time
      228355000   456710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08138e+03    1.93460e+04    1.30426e+04    1.23069e+03   -2.98802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76254e+03    9.34106e+04    3.97993e+05   -2.33873e+04   -2.97239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64326e+04   -2.44447e+06    4.81176e+05   -1.96329e+06    2.42541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11955e+02   -2.07305e+02   -3.28607e+01    6.08408e-06


DD  step 228359999 load imb.: force 16.8%  pme mesh/force 0.788
           Step           Time
      228360000   456720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20782e+03    1.91474e+04    1.33091e+04    1.20403e+03   -3.09483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89834e+03    9.35299e+04    4.01384e+05   -2.33836e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65340e+04   -2.44575e+06    4.81667e+05   -1.96409e+06    2.42546e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12273e+02   -2.07240e+02    5.01899e+01    6.05553e-06


DD  step 228364999 load imb.: force 20.3%  pme mesh/force 0.802
           Step           Time
      228365000   456730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10538e+03    1.95030e+04    1.31616e+04    1.23547e+03   -3.00264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92129e+03    9.29426e+04    3.98440e+05   -2.33664e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63403e+04   -2.44715e+06    4.80525e+05   -1.96662e+06    2.42552e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.06936e+02   -3.19339e+01    5.85963e-06


DD  step 228369999 load imb.: force 15.4%  pme mesh/force 0.755
           Step           Time
      228370000   456740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01083e+03    1.95516e+04    1.29811e+04    1.12588e+03   -3.12281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77649e+03    9.27956e+04    3.98436e+05   -2.33452e+04   -2.97316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64681e+04   -2.44548e+06    4.80053e+05   -1.96543e+06    2.42557e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.06562e+02   -6.12929e+01    5.93531e-06


DD  step 228374999 load imb.: force 15.5%  pme mesh/force 0.770
           Step           Time
      228375000   456750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95045e+03    1.90099e+04    1.31807e+04    1.23201e+03   -3.03737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85305e+03    9.31959e+04    4.01045e+05   -2.33844e+04   -2.98105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64700e+04   -2.45054e+06    4.78530e+05   -1.97201e+06    2.42564e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10239e+02   -2.07254e+02   -1.79675e+01    6.04476e-06


DD  step 228379999 load imb.: force 15.0%  pme mesh/force 0.757
           Step           Time
      228380000   456760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86133e+03    1.96556e+04    1.29789e+04    1.18920e+03   -3.07714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94118e+03    9.32365e+04    4.01845e+05   -2.33833e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63663e+04   -2.44623e+06    4.80851e+05   -1.96538e+06    2.42569e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11745e+02   -2.07236e+02    1.16576e+02    5.98076e-06


DD  step 228384999 load imb.: force 16.6%  pme mesh/force 0.751
           Step           Time
      228385000   456770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75734e+03    1.95728e+04    1.30645e+04    1.17272e+03   -3.10856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83651e+03    9.37706e+04    4.03025e+05   -2.34206e+04   -2.98187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65907e+04   -2.44861e+06    4.79338e+05   -1.96928e+06    2.42575e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10763e+02   -2.07897e+02    6.62587e+01    5.81453e-06


DD  step 228389999 load imb.: force 16.3%  pme mesh/force 0.774
           Step           Time
      228390000   456780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97982e+03    1.94714e+04    1.32311e+04    1.16784e+03   -3.08353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88761e+03    9.31531e+04    4.00856e+05   -2.33812e+04   -2.97706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65184e+04   -2.44626e+06    4.79298e+05   -1.96696e+06    2.42581e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.07198e+02   -5.27937e+00    5.91512e-06


DD  step 228394999 load imb.: force 16.4%  pme mesh/force 0.758
           Step           Time
      228395000   456790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02972e+03    1.92456e+04    1.30549e+04    1.19045e+03   -3.01964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80484e+03    9.32892e+04    3.97958e+05   -2.34432e+04   -2.97558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65507e+04   -2.44792e+06    4.80652e+05   -1.96727e+06    2.42586e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11615e+02   -2.08297e+02   -4.98797e+01    5.92644e-06


DD  step 228399999 load imb.: force 15.2%  pme mesh/force 0.759
           Step           Time
      228400000   456800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08464e+03    1.93363e+04    1.30468e+04    1.14869e+03   -3.03180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89343e+03    9.30924e+04    4.01285e+05   -2.33340e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64852e+04   -2.44731e+06    4.78526e+05   -1.96878e+06    2.42592e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.06364e+02   -4.97883e+01    5.82782e-06


DD  step 228404999 load imb.: force 14.9%  pme mesh/force 0.748
           Step           Time
      228405000   456810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11644e+03    1.92284e+04    1.32891e+04    1.26005e+03   -3.11336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75265e+03    9.34245e+04    4.00008e+05   -2.33675e+04   -2.97361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66435e+04   -2.44337e+06    4.78103e+05   -1.96526e+06    2.42598e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09963e+02   -2.06956e+02    1.66260e+01    5.83985e-06


DD  step 228409999 load imb.: force 14.8%  pme mesh/force 0.729
           Step           Time
      228410000   456820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15443e+03    1.94446e+04    1.31344e+04    1.14282e+03   -3.06987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75607e+03    9.31437e+04    4.00704e+05   -2.33528e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66373e+04   -2.44885e+06    4.78789e+05   -1.97006e+06    2.42604e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10407e+02   -2.06696e+02   -7.19731e+01    6.06545e-06


DD  step 228414999 load imb.: force 15.4%  pme mesh/force 0.766
           Step           Time
      228415000   456830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17970e+03    1.96135e+04    1.32062e+04    1.08991e+03   -3.09663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00381e+03    9.31199e+04    3.97027e+05   -2.33554e+04   -2.97305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64421e+04   -2.44582e+06    4.82533e+05   -1.96329e+06    2.42609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12835e+02   -2.06741e+02   -7.75041e+01    5.87703e-06


DD  step 228419999 load imb.: force 16.2%  pme mesh/force 0.758
           Step           Time
      228420000   456840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91283e+03    1.97277e+04    1.31667e+04    1.16017e+03   -3.02362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86174e+03    9.31307e+04    4.01177e+05   -2.33854e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63584e+04   -2.44651e+06    4.80272e+05   -1.96624e+06    2.42615e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11369e+02   -2.07273e+02    3.67632e+01    6.15489e-06


DD  step 228424999 load imb.: force 16.0%  pme mesh/force 0.740
           Step           Time
      228425000   456850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32542e+03    1.92705e+04    1.32249e+04    1.22569e+03   -2.98184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68044e+03    9.34604e+04    3.99673e+05   -2.34171e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62348e+04   -2.44817e+06    4.80401e+05   -1.96777e+06    2.42621e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.07834e+02   -3.43196e+01    5.95878e-06


DD  step 228429999 load imb.: force 14.8%  pme mesh/force 0.766
           Step           Time
      228430000   456860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80353e+03    1.93094e+04    1.28919e+04    1.25282e+03   -2.94376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69627e+03    9.29490e+04    4.00857e+05   -2.33747e+04   -2.98008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64593e+04   -2.45018e+06    4.79047e+05   -1.97113e+06    2.42626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.07083e+02   -3.04189e+01    5.94893e-06


DD  step 228434999 load imb.: force 14.6%  pme mesh/force 0.765
           Step           Time
      228435000   456870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16018e+03    1.95806e+04    1.28683e+04    1.14112e+03   -3.02451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77359e+03    9.29437e+04    3.99737e+05   -2.33427e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66185e+04   -2.44553e+06    4.79936e+05   -1.96559e+06    2.42632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.06517e+02   -1.22453e+01    5.79824e-06


DD  step 228439999 load imb.: force 16.7%  pme mesh/force 0.764
           Step           Time
      228440000   456880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06214e+03    1.94882e+04    1.30767e+04    1.18088e+03   -3.10493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75948e+03    9.31906e+04    4.00560e+05   -2.33952e+04   -2.97894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62706e+04   -2.44886e+06    4.78131e+05   -1.97072e+06    2.42638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09981e+02   -2.07445e+02   -6.87212e+01    5.84762e-06


DD  step 228444999 load imb.: force 14.4%  pme mesh/force 0.744
           Step           Time
      228445000   456890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10925e+03    1.92851e+04    1.29822e+04    1.30897e+03   -3.17004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78429e+03    9.29235e+04    4.02517e+05   -2.33692e+04   -2.98050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63952e+04   -2.44874e+06    4.78137e+05   -1.97060e+06    2.42644e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09985e+02   -2.06986e+02    7.81948e+01    5.95907e-06


DD  step 228449999 load imb.: force 15.3%  pme mesh/force 0.748
           Step           Time
      228450000   456900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04352e+03    1.93908e+04    1.32304e+04    1.20747e+03   -3.04847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83388e+03    9.27948e+04    4.00444e+05   -2.33502e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65973e+04   -2.44689e+06    4.79918e+05   -1.96697e+06    2.42650e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.06649e+02   -1.89796e+01    5.82540e-06


DD  step 228454999 load imb.: force 17.1%  pme mesh/force 0.773
           Step           Time
      228455000   456910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96913e+03    1.93666e+04    1.30885e+04    1.22509e+03   -3.10653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74967e+03    9.31468e+04    4.00533e+05   -2.33721e+04   -2.97855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64614e+04   -2.44849e+06    4.78715e+05   -1.96977e+06    2.42655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10359e+02   -2.07037e+02   -2.59244e+01    5.84211e-06


DD  step 228459999 load imb.: force 15.0%  pme mesh/force 0.768
           Step           Time
      228460000   456920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86603e+03    1.96707e+04    1.30765e+04    1.16752e+03   -3.06195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79986e+03    9.30101e+04    3.99190e+05   -2.33774e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65112e+04   -2.44810e+06    4.79442e+05   -1.96866e+06    2.42661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.07131e+02   -6.30289e+01    5.97286e-06


DD  step 228464999 load imb.: force 14.6%  pme mesh/force 0.737
           Step           Time
      228465000   456930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71973e+03    1.93034e+04    1.32051e+04    1.22342e+03   -3.00558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79642e+03    9.31665e+04    4.02782e+05   -2.34157e+04   -2.98104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63539e+04   -2.44891e+06    4.78790e+05   -1.97012e+06    2.42667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10408e+02   -2.07810e+02    5.68132e+01    6.10995e-06


DD  step 228469999 load imb.: force 15.8%  pme mesh/force 0.746
           Step           Time
      228470000   456940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90030e+03    1.97338e+04    1.31005e+04    1.20622e+03   -3.02744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71778e+03    9.30401e+04    4.06426e+05   -2.33815e+04   -2.98378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65778e+04   -2.44748e+06    4.79710e+05   -1.96777e+06    2.42673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11004e+02   -2.07203e+02    1.47608e+02    6.03324e-06


DD  step 228474999 load imb.: force 16.4%  pme mesh/force 0.768
           Step           Time
      228475000   456950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87435e+03    1.94860e+04    1.29705e+04    1.18579e+03   -3.13816e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86508e+03    9.31354e+04    4.03999e+05   -2.33405e+04   -2.98025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64259e+04   -2.44678e+06    4.78755e+05   -1.96803e+06    2.42679e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.06479e+02    8.50456e+01    5.99027e-06


DD  step 228479999 load imb.: force 15.1%  pme mesh/force 0.794
           Step           Time
      228480000   456960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38428e+03    1.96106e+04    1.30692e+04    1.18837e+03   -3.03254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74787e+03    9.28936e+04    4.00753e+05   -2.34035e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66023e+04   -2.44541e+06    4.79008e+05   -1.96640e+06    2.42685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10549e+02   -2.07593e+02    9.71234e+00    6.08601e-06


DD  step 228484999 load imb.: force 15.7%  pme mesh/force 0.755
           Step           Time
      228485000   456970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84690e+03    1.95179e+04    1.31022e+04    1.11939e+03   -3.08198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88550e+03    9.33523e+04    4.00507e+05   -2.33814e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63163e+04   -2.44895e+06    4.80287e+05   -1.96866e+06    2.42691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.07201e+02    1.51941e+01    6.10552e-06


DD  step 228489999 load imb.: force 19.2%  pme mesh/force 0.782
           Step           Time
      228490000   456980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79815e+03    1.93244e+04    1.28856e+04    1.19832e+03   -3.08194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77589e+03    9.31216e+04    3.97835e+05   -2.33210e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67854e+04   -2.44742e+06    4.79109e+05   -1.96831e+06    2.42696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10615e+02   -2.06133e+02   -9.35082e+01    6.18159e-06


DD  step 228494999 load imb.: force 14.0%  pme mesh/force 0.756
           Step           Time
      228495000   456990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16440e+03    1.97644e+04    1.29614e+04    1.22090e+03   -3.07121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93292e+03    9.33015e+04    4.00051e+05   -2.33708e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62466e+04   -2.44601e+06    4.78976e+05   -1.96703e+06    2.42702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10528e+02   -2.07015e+02   -6.01984e+01    5.99764e-06


DD  step 228499999 load imb.: force 16.3%  pme mesh/force 0.778
           Step           Time
      228500000   457000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89846e+03    1.93330e+04    1.31588e+04    1.22676e+03   -3.02028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84092e+03    9.29423e+04    3.99757e+05   -2.33752e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65028e+04   -2.44938e+06    4.79223e+05   -1.97015e+06    2.42708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.07091e+02   -3.96863e+01    6.10431e-06


DD  step 228504999 load imb.: force 15.1%  pme mesh/force 0.759
           Step           Time
      228505000   457010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14996e+03    1.93250e+04    1.30772e+04    1.17360e+03   -3.12754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85090e+03    9.33636e+04    4.01251e+05   -2.33498e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67082e+04   -2.44712e+06    4.78708e+05   -1.96841e+06    2.42714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10355e+02   -2.06643e+02   -1.57070e+01    6.10276e-06


DD  step 228509999 load imb.: force 15.1%  pme mesh/force 0.752
           Step           Time
      228510000   457020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06975e+03    1.98995e+04    1.31528e+04    1.08170e+03   -3.13334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75307e+03    9.30289e+04    3.98636e+05   -2.33301e+04   -2.97395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67331e+04   -2.44506e+06    4.77866e+05   -1.96720e+06    2.42720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09809e+02   -2.06294e+02   -6.22051e+01    6.15374e-06


DD  step 228514999 load imb.: force 15.1%  pme mesh/force 0.724
           Step           Time
      228515000   457030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00132e+03    1.95094e+04    1.31821e+04    1.23938e+03   -3.07442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97070e+03    9.31774e+04    3.99717e+05   -2.33478e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67366e+04   -2.44638e+06    4.80956e+05   -1.96542e+06    2.42725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.06608e+02   -1.60374e+01    6.13623e-06


DD  step 228519999 load imb.: force 13.7%  pme mesh/force 0.729
           Step           Time
      228520000   457040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11362e+03    1.92547e+04    1.31520e+04    1.12265e+03   -3.08499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71842e+03    9.25070e+04    3.99790e+05   -2.33932e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63664e+04   -2.45178e+06    4.77704e+05   -1.97408e+06    2.42731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09704e+02   -2.07410e+02   -8.76078e+01    6.14020e-06


DD  step 228524999 load imb.: force 16.1%  pme mesh/force 0.774
           Step           Time
      228525000   457050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85502e+03    1.94179e+04    1.31653e+04    1.09059e+03   -3.05734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85404e+03    9.30542e+04    3.98373e+05   -2.34238e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65684e+04   -2.44897e+06    4.80504e+05   -1.96847e+06    2.42736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.07953e+02    3.43503e+01    6.02610e-06


DD  step 228529999 load imb.: force 14.7%  pme mesh/force 0.780
           Step           Time
      228530000   457060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01667e+03    1.94410e+04    1.33077e+04    1.23070e+03   -3.03539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75254e+03    9.24676e+04    3.99792e+05   -2.33577e+04   -2.97751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64771e+04   -2.44842e+06    4.80984e+05   -1.96744e+06    2.42742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11831e+02   -2.06782e+02   -5.99922e+01    6.10480e-06


DD  step 228534999 load imb.: force 15.1%  pme mesh/force 0.734
           Step           Time
      228535000   457070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17039e+03    1.94112e+04    1.31741e+04    1.24063e+03   -3.13921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77087e+03    9.28421e+04    4.00550e+05   -2.33887e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65079e+04   -2.44682e+06    4.80241e+05   -1.96658e+06    2.42748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.07331e+02   -2.98366e+01    6.27124e-06


DD  step 228539999 load imb.: force 13.7%  pme mesh/force 0.733
           Step           Time
      228540000   457080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93776e+03    1.99170e+04    1.32858e+04    1.25087e+03   -3.08802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88037e+03    9.28832e+04    3.99338e+05   -2.33626e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66621e+04   -2.44587e+06    4.80194e+05   -1.96567e+06    2.42754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11318e+02   -2.06869e+02   -1.86726e+01    6.19922e-06


DD  step 228544999 load imb.: force 15.2%  pme mesh/force 0.766
           Step           Time
      228545000   457090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04239e+03    1.97988e+04    1.30706e+04    1.26876e+03   -3.05104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72704e+03    9.29721e+04    4.04748e+05   -2.33796e+04   -2.98183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63246e+04   -2.44731e+06    4.80036e+05   -1.96727e+06    2.42760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.07170e+02    1.30083e+02    6.29744e-06


DD  step 228549999 load imb.: force 15.3%  pme mesh/force 0.805
           Step           Time
      228550000   457100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84956e+03    1.94775e+04    1.30211e+04    1.08189e+03   -3.05503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82743e+03    9.30630e+04    4.03040e+05   -2.33616e+04   -2.98067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65647e+04   -2.44816e+06    4.80625e+05   -1.96754e+06    2.42765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11598e+02   -2.06851e+02    9.15027e+01    6.21885e-06


DD  step 228554999 load imb.: force 14.0%  pme mesh/force 0.758
           Step           Time
      228555000   457110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10225e+03    1.95622e+04    1.31086e+04    1.22124e+03   -3.02791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76803e+03    9.28568e+04    4.03332e+05   -2.34060e+04   -2.98098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65031e+04   -2.44796e+06    4.79518e+05   -1.96844e+06    2.42771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10880e+02   -2.07637e+02    6.56095e+01    6.04677e-06


DD  step 228559999 load imb.: force 16.0%  pme mesh/force 0.763
           Step           Time
      228560000   457120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98443e+03    1.94688e+04    1.30316e+04    1.17292e+03   -3.16140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90689e+03    9.26772e+04    4.00093e+05   -2.33842e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63794e+04   -2.44819e+06    4.79420e+05   -1.96877e+06    2.42776e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10816e+02   -2.07251e+02   -5.29928e+01    6.18103e-06


DD  step 228564999 load imb.: force 14.5%  pme mesh/force 0.737
           Step           Time
      228565000   457130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92914e+03    1.94422e+04    1.32104e+04    1.22000e+03   -3.14077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76630e+03    9.30878e+04    4.01608e+05   -2.33454e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65021e+04   -2.44639e+06    4.82272e+05   -1.96412e+06    2.42782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12666e+02   -2.06565e+02    1.97198e+00    6.11270e-06


DD  step 228569999 load imb.: force 14.9%  pme mesh/force 0.761
           Step           Time
      228570000   457140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21067e+03    1.96357e+04    1.31733e+04    1.12376e+03   -3.11174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65786e+03    9.29003e+04    4.01777e+05   -2.34374e+04   -2.98161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63485e+04   -2.45033e+06    4.80700e+05   -1.96963e+06    2.42788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11647e+02   -2.08194e+02   -1.55585e+01    6.14710e-06


DD  step 228574999 load imb.: force 17.3%  pme mesh/force 0.773
           Step           Time
      228575000   457150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15514e+03    1.93872e+04    1.30656e+04    1.21923e+03   -3.04758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90301e+03    9.29891e+04    4.01982e+05   -2.33650e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64163e+04   -2.44609e+06    4.80094e+05   -1.96599e+06    2.42794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.06912e+02    7.46257e+01    6.28711e-06


DD  step 228579999 load imb.: force 16.3%  pme mesh/force 0.791
           Step           Time
      228580000   457160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86122e+03    1.95572e+04    1.28249e+04    1.10869e+03   -3.05319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86856e+03    9.30264e+04    4.00144e+05   -2.34012e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64109e+04   -2.44631e+06    4.79405e+05   -1.96691e+06    2.42799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10807e+02   -2.07552e+02    3.89585e+01    6.00897e-06


DD  step 228584999 load imb.: force 15.6%  pme mesh/force 0.758
           Step           Time
      228585000   457170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23303e+03    1.97666e+04    1.31271e+04    1.22771e+03   -3.02874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83542e+03    9.26389e+04    4.00513e+05   -2.34156e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65422e+04   -2.44651e+06    4.80853e+05   -1.96566e+06    2.42805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11745e+02   -2.07807e+02    5.69275e+01    6.02780e-06


DD  step 228589999 load imb.: force 16.0%  pme mesh/force 0.744
           Step           Time
      228590000   457180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02281e+03    2.00114e+04    1.30435e+04    1.23727e+03   -3.12526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76071e+03    9.31301e+04    4.01120e+05   -2.33651e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65866e+04   -2.44621e+06    4.80855e+05   -1.96535e+06    2.42811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11747e+02   -2.06913e+02    1.29571e+01    6.07033e-06


DD  step 228594999 load imb.: force 14.0%  pme mesh/force 0.749
           Step           Time
      228595000   457190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07717e+03    1.93648e+04    1.30615e+04    1.16745e+03   -2.97972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84202e+03    9.30759e+04    4.01307e+05   -2.33896e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65550e+04   -2.44705e+06    4.79004e+05   -1.96805e+06    2.42817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10547e+02   -2.07347e+02   -2.03755e+00    5.96362e-06


DD  step 228599999 load imb.: force 14.4%  pme mesh/force 0.745
           Step           Time
      228600000   457200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84319e+03    1.92108e+04    1.29250e+04    1.14206e+03   -3.13299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78018e+03    9.30719e+04    3.99379e+05   -2.33916e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63918e+04   -2.44756e+06    4.78420e+05   -1.96914e+06    2.42823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.07382e+02   -2.79575e+01    6.30366e-06


DD  step 228604999 load imb.: force 15.3%  pme mesh/force 0.750
           Step           Time
      228605000   457210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05600e+03    1.96609e+04    1.29758e+04    1.19260e+03   -2.95255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82416e+03    9.33576e+04    4.00148e+05   -2.33671e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64362e+04   -2.44540e+06    4.81338e+05   -1.96407e+06    2.42829e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12060e+02   -2.06949e+02   -2.37994e+01    6.21297e-06


DD  step 228609999 load imb.: force 14.4%  pme mesh/force 0.729
           Step           Time
      228610000   457220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91490e+03    1.90161e+04    1.29160e+04    1.18314e+03   -3.05164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82666e+03    9.32636e+04    4.03505e+05   -2.34048e+04   -2.98211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63994e+04   -2.44954e+06    4.79605e+05   -1.96994e+06    2.42834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10936e+02   -2.07616e+02    7.70402e+01    6.20303e-06


DD  step 228614999 load imb.: force 18.8%  pme mesh/force 0.781
           Step           Time
      228615000   457230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11751e+03    1.92915e+04    1.30972e+04    1.19587e+03   -2.99948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83967e+03    9.34875e+04    4.00683e+05   -2.33348e+04   -2.97701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65779e+04   -2.44605e+06    4.80792e+05   -1.96526e+06    2.42841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11706e+02   -2.06378e+02   -1.17612e+01    6.19900e-06


DD  step 228619999 load imb.: force 14.0%  pme mesh/force 0.736
           Step           Time
      228620000   457240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84880e+03    1.89991e+04    1.29921e+04    1.19068e+03   -2.86853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95875e+03    9.35986e+04    3.99815e+05   -2.33702e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64916e+04   -2.44740e+06    4.78423e+05   -1.96897e+06    2.42846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10170e+02   -2.07003e+02    2.56420e+01    6.18448e-06


DD  step 228624999 load imb.: force 14.9%  pme mesh/force 0.727
           Step           Time
      228625000   457250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12188e+03    1.94800e+04    1.30560e+04    1.24498e+03   -3.07070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72770e+03    9.37034e+04    4.01985e+05   -2.34206e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65064e+04   -2.44677e+06    4.81192e+05   -1.96558e+06    2.42852e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11966e+02   -2.07896e+02    3.26327e+01    6.19711e-06


DD  step 228629999 load imb.: force 15.6%  pme mesh/force 0.755
           Step           Time
      228630000   457260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90635e+03    1.92004e+04    1.29808e+04    1.10689e+03   -3.03897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89045e+03    9.29106e+04    4.04730e+05   -2.33645e+04   -2.98446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62952e+04   -2.45084e+06    4.80485e+05   -1.97036e+06    2.42858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11507e+02   -2.06902e+02    1.09884e+02    6.27318e-06


DD  step 228634999 load imb.: force 15.1%  pme mesh/force 0.728
           Step           Time
      228635000   457270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02897e+03    1.92787e+04    1.29600e+04    1.16493e+03   -3.07363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80047e+03    9.34616e+04    3.98697e+05   -2.34175e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63937e+04   -2.44854e+06    4.78601e+05   -1.96994e+06    2.42864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10286e+02   -2.07840e+02   -8.64764e+01    6.29733e-06


DD  step 228639999 load imb.: force 13.5%  pme mesh/force 0.713
           Step           Time
      228640000   457280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13894e+03    1.96382e+04    1.32058e+04    1.22694e+03   -3.02550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71991e+03    9.36721e+04    4.04353e+05   -2.33887e+04   -2.98396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64927e+04   -2.44892e+06    4.81342e+05   -1.96758e+06    2.42870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12063e+02   -2.07331e+02    6.47270e+01    6.07731e-06


DD  step 228644999 load imb.: force 14.2%  pme mesh/force 0.756
           Step           Time
      228645000   457290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89814e+03    1.95893e+04    1.29506e+04    1.19754e+03   -3.10415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75845e+03    9.29755e+04    4.03205e+05   -2.34140e+04   -2.97999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64262e+04   -2.44751e+06    4.79209e+05   -1.96830e+06    2.42875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10679e+02   -2.07778e+02    1.38641e+02    6.25337e-06


DD  step 228649999 load imb.: force 14.9%  pme mesh/force 0.718
           Step           Time
      228650000   457300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.42254e+03    1.93483e+04    1.32509e+04    1.12981e+03   -3.00316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82746e+03    9.31162e+04    4.00961e+05   -2.33808e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63119e+04   -2.44558e+06    4.81488e+05   -1.96409e+06    2.42881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12157e+02   -2.07191e+02    9.72337e+00    6.07967e-06


DD  step 228654999 load imb.: force 16.9%  pme mesh/force 0.728
           Step           Time
      228655000   457310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13564e+03    1.94216e+04    1.30901e+04    1.13832e+03   -3.07174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92037e+03    9.29457e+04    3.99555e+05   -2.33785e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65056e+04   -2.44553e+06    4.79566e+05   -1.96597e+06    2.42887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.07151e+02   -6.43739e+00    6.10895e-06

Writing checkpoint, step 228656900 at Wed Nov  8 02:01:28 2023



DD  step 228659999 load imb.: force 13.8%  pme mesh/force 0.728
           Step           Time
      228660000   457320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37043e+03    1.95664e+04    1.29608e+04    1.16460e+03   -3.03288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70298e+03    9.34536e+04    3.99751e+05   -2.33534e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64931e+04   -2.44658e+06    4.81643e+05   -1.96494e+06    2.42893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12258e+02   -2.06706e+02   -1.13644e+02    6.23062e-06


DD  step 228664999 load imb.: force 15.9%  pme mesh/force 0.812
           Step           Time
      228665000   457330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18705e+03    1.95671e+04    1.29314e+04    1.13415e+03   -3.00793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81767e+03    9.26587e+04    3.99374e+05   -2.33381e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66373e+04   -2.44506e+06    4.79363e+05   -1.96570e+06    2.42898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.06435e+02   -6.56685e+01    6.23963e-06


DD  step 228669999 load imb.: force 16.0%  pme mesh/force 0.732
           Step           Time
      228670000   457340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11509e+03    1.93197e+04    1.29734e+04    1.08569e+03   -3.14948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90709e+03    9.32811e+04    3.98122e+05   -2.33755e+04   -2.97448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63681e+04   -2.44683e+06    4.77658e+05   -1.96918e+06    2.42904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09674e+02   -2.07098e+02   -7.83206e+01    6.19900e-06


DD  step 228674999 load imb.: force 16.0%  pme mesh/force 0.732
           Step           Time
      228675000   457350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01779e+03    1.96144e+04    1.29960e+04    1.13704e+03   -3.08095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65551e+03    9.35001e+04    4.00982e+05   -2.33705e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63543e+04   -2.44696e+06    4.76919e+05   -1.97004e+06    2.42910e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09195e+02   -2.07008e+02   -1.85046e+01    6.13288e-06


DD  step 228679999 load imb.: force 15.8%  pme mesh/force 0.735
           Step           Time
      228680000   457360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11538e+03    1.91551e+04    1.29667e+04    1.15914e+03   -2.94546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79306e+03    9.35088e+04    4.04776e+05   -2.34307e+04   -2.98377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65363e+04   -2.44914e+06    4.78569e+05   -1.97057e+06    2.42916e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10265e+02   -2.08075e+02    8.04895e+01    6.19074e-06


DD  step 228684999 load imb.: force 13.4%  pme mesh/force 0.720
           Step           Time
      228685000   457370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19624e+03    1.96741e+04    1.31634e+04    1.17174e+03   -2.98601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78433e+03    9.30818e+04    3.98392e+05   -2.34203e+04   -2.97355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64236e+04   -2.44507e+06    4.80801e+05   -1.96427e+06    2.42923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11712e+02   -2.07891e+02   -5.40772e+01    6.31859e-06


DD  step 228689999 load imb.: force 15.3%  pme mesh/force 0.717
           Step           Time
      228690000   457380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09666e+03    1.95002e+04    1.28647e+04    1.17008e+03   -2.96902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73156e+03    9.32481e+04    3.98580e+05   -2.34636e+04   -2.97252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64474e+04   -2.44432e+06    4.79669e+05   -1.96465e+06    2.42928e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10978e+02   -2.08660e+02    1.85220e+01    6.28437e-06


DD  step 228694999 load imb.: force 15.5%  pme mesh/force 0.729
           Step           Time
      228695000   457390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14521e+03    1.91278e+04    1.30341e+04    1.10007e+03   -3.13538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89534e+03    9.37436e+04    3.98465e+05   -2.33402e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66259e+04   -2.44822e+06    4.79407e+05   -1.96882e+06    2.42934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10808e+02   -2.06473e+02   -6.99570e+01    6.12590e-06


DD  step 228699999 load imb.: force 15.5%  pme mesh/force 0.741
           Step           Time
      228700000   457400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71595e+03    1.95907e+04    1.30045e+04    1.24110e+03   -2.97197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89324e+03    9.33610e+04    3.99658e+05   -2.33891e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64343e+04   -2.44812e+06    4.79163e+05   -1.96896e+06    2.42940e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10650e+02   -2.07337e+02   -1.84631e+01    6.20835e-06


DD  step 228704999 load imb.: force 12.8%  pme mesh/force 0.718
           Step           Time
      228705000   457410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90483e+03    1.94846e+04    1.31862e+04    1.17019e+03   -3.07866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83357e+03    9.33843e+04    3.99174e+05   -2.33546e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65467e+04   -2.44666e+06    4.80596e+05   -1.96607e+06    2.42946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.06728e+02   -3.70436e+01    6.14964e-06


DD  step 228709999 load imb.: force 15.1%  pme mesh/force 0.786
           Step           Time
      228710000   457420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15895e+03    1.90513e+04    1.29771e+04    1.12989e+03   -3.10022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71886e+03    9.30904e+04    4.01402e+05   -2.34580e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65942e+04   -2.44835e+06    4.81946e+05   -1.96640e+06    2.42951e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12454e+02   -2.08560e+02    7.08083e+01    6.11273e-06


DD  step 228714999 load imb.: force 14.9%  pme mesh/force 0.721
           Step           Time
      228715000   457430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14797e+03    1.98669e+04    1.30038e+04    1.21527e+03   -2.99332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80404e+03    9.29675e+04    4.00478e+05   -2.34059e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65387e+04   -2.44801e+06    4.81053e+05   -1.96696e+06    2.42957e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11875e+02   -2.07636e+02    9.30080e+00    6.06569e-06


DD  step 228719999 load imb.: force 14.2%  pme mesh/force 0.706
           Step           Time
      228720000   457440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10615e+03    1.92567e+04    1.31475e+04    1.17980e+03   -2.98615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74257e+03    9.35984e+04    4.01220e+05   -2.34070e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64725e+04   -2.44899e+06    4.80749e+05   -1.96825e+06    2.42963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11678e+02   -2.07655e+02    7.29158e+00    6.15481e-06


DD  step 228724999 load imb.: force 15.3%  pme mesh/force 0.717
           Step           Time
      228725000   457450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02739e+03    1.94325e+04    1.31654e+04    1.15645e+03   -3.05336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83802e+03    9.33720e+04    3.99891e+05   -2.33754e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65889e+04   -2.44692e+06    4.80304e+05   -1.96661e+06    2.42969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11390e+02   -2.07095e+02   -1.31786e+01    6.14002e-06


DD  step 228729999 load imb.: force 15.6%  pme mesh/force 0.736
           Step           Time
      228730000   457460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16167e+03    1.96266e+04    1.31328e+04    1.14346e+03   -3.13182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72109e+03    9.33600e+04    3.99310e+05   -2.33371e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66567e+04   -2.44711e+06    4.79378e+05   -1.96773e+06    2.42975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.06417e+02   -1.00913e+02    6.20250e-06


DD  step 228734999 load imb.: force 13.7%  pme mesh/force 0.730
           Step           Time
      228735000   457470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18029e+03    1.95343e+04    1.31595e+04    1.19667e+03   -3.10525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87716e+03    9.30931e+04    4.03186e+05   -2.34566e+04   -2.98230e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64563e+04   -2.44918e+06    4.80786e+05   -1.96839e+06    2.42981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11702e+02   -2.08534e+02    1.03181e+02    6.04641e-06


DD  step 228739999 load imb.: force 14.5%  pme mesh/force 0.706
           Step           Time
      228740000   457480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96870e+03    1.91485e+04    1.28896e+04    1.19558e+03   -3.12832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92418e+03    9.35209e+04    4.01626e+05   -2.33675e+04   -2.98208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63319e+04   -2.45097e+06    4.77372e+05   -1.97360e+06    2.42986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09488e+02   -2.06956e+02    3.18448e+01    6.24803e-06


DD  step 228744999 load imb.: force 14.4%  pme mesh/force 0.714
           Step           Time
      228745000   457490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11229e+03    1.93728e+04    1.31174e+04    1.22712e+03   -3.01477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84390e+03    9.35256e+04    4.00448e+05   -2.33956e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64141e+04   -2.44569e+06    4.78189e+05   -1.96751e+06    2.42992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10018e+02   -2.07453e+02   -2.37396e+00    6.12456e-06


DD  step 228749999 load imb.: force 13.4%  pme mesh/force 0.739
           Step           Time
      228750000   457500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98827e+03    1.96317e+04    1.29642e+04    1.09980e+03   -2.99087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83284e+03    9.30845e+04    4.00845e+05   -2.33597e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66660e+04   -2.44450e+06    4.79464e+05   -1.96504e+06    2.42998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10845e+02   -2.06818e+02    3.36461e+01    6.12904e-06


DD  step 228754999 load imb.: force 14.0%  pme mesh/force 0.684
           Step           Time
      228755000   457510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15293e+03    1.93703e+04    1.29643e+04    1.13313e+03   -3.06817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89879e+03    9.39187e+04    4.02513e+05   -2.33564e+04   -2.97985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65104e+04   -2.44681e+06    4.81043e+05   -1.96577e+06    2.43004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11869e+02   -2.06759e+02    4.78377e+01    6.37905e-06


DD  step 228759999 load imb.: force 19.0%  pme mesh/force 0.764
           Step           Time
      228760000   457520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07110e+03    1.92452e+04    1.29680e+04    1.19462e+03   -2.97367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78625e+03    9.32368e+04    4.02304e+05   -2.34334e+04   -2.98166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65043e+04   -2.44976e+06    4.79343e+05   -1.97042e+06    2.43010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10767e+02   -2.08122e+02    6.32729e+01    6.27899e-06


DD  step 228764999 load imb.: force 12.7%  pme mesh/force 0.706
           Step           Time
      228765000   457530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90394e+03    1.96401e+04    1.30487e+04    1.13767e+03   -3.03949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85720e+03    9.34045e+04    4.00314e+05   -2.33772e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64901e+04   -2.44653e+06    4.82105e+05   -1.96442e+06    2.43015e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12557e+02   -2.07127e+02    1.83135e+01    6.17012e-06


DD  step 228769999 load imb.: force 14.0%  pme mesh/force 0.749
           Step           Time
      228770000   457540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01764e+03    1.87211e+04    1.30442e+04    1.20281e+03   -3.15005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88308e+03    9.32153e+04    3.98045e+05   -2.33539e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65463e+04   -2.44651e+06    4.77719e+05   -1.96880e+06    2.43021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09714e+02   -2.06715e+02   -6.40745e+01    6.07269e-06


DD  step 228774999 load imb.: force 11.4%  pme mesh/force 0.697
           Step           Time
      228775000   457550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05260e+03    1.92509e+04    1.32159e+04    1.16442e+03   -3.12775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73581e+03    9.36440e+04    4.01415e+05   -2.33896e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62429e+04   -2.44691e+06    4.80706e+05   -1.96621e+06    2.43027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11650e+02   -2.07347e+02   -1.34561e+01    6.28026e-06


DD  step 228779999 load imb.: force 12.4%  pme mesh/force 0.715
           Step           Time
      228780000   457560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95823e+03    1.91071e+04    1.32360e+04    1.23757e+03   -3.00546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93710e+03    9.31279e+04    4.01636e+05   -2.33661e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65103e+04   -2.44615e+06    4.80030e+05   -1.96612e+06    2.43033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11212e+02   -2.06931e+02    4.61633e+01    6.23078e-06


DD  step 228784999 load imb.: force 13.1%  pme mesh/force 0.735
           Step           Time
      228785000   457570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88066e+03    1.96057e+04    1.31315e+04    1.16653e+03   -3.12409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84366e+03    9.35228e+04    4.01580e+05   -2.33944e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64813e+04   -2.44516e+06    4.80423e+05   -1.96474e+06    2.43038e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11467e+02   -2.07431e+02    7.13479e+01    6.21321e-06


DD  step 228789999 load imb.: force 13.1%  pme mesh/force 0.734
           Step           Time
      228790000   457580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11095e+03    1.94591e+04    1.30241e+04    1.24030e+03   -3.08412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90011e+03    9.32185e+04    4.00860e+05   -2.33761e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65400e+04   -2.44860e+06    4.79216e+05   -1.96938e+06    2.43044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.07108e+02   -1.12561e+01    6.19963e-06


DD  step 228794999 load imb.: force 14.3%  pme mesh/force 0.718
           Step           Time
      228795000   457590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24904e+03    1.94031e+04    1.30954e+04    1.22250e+03   -3.17898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70990e+03    9.31453e+04    3.97972e+05   -2.33650e+04   -2.97338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65120e+04   -2.44561e+06    4.78999e+05   -1.96661e+06    2.43050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10544e+02   -2.06912e+02   -1.44480e+02    6.24863e-06


DD  step 228799999 load imb.: force 14.9%  pme mesh/force 0.741
           Step           Time
      228800000   457600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93389e+03    1.93107e+04    1.31048e+04    1.11277e+03   -3.11122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70224e+03    9.32177e+04    4.02382e+05   -2.33793e+04   -2.98259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65372e+04   -2.45078e+06    4.78858e+05   -1.97192e+06    2.43056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10452e+02   -2.07164e+02    1.05064e+01    6.26961e-06


DD  step 228804999 load imb.: force 12.8%  pme mesh/force 0.713
           Step           Time
      228805000   457610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12391e+03    1.93476e+04    1.31467e+04    1.24014e+03   -3.03178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89971e+03    9.40250e+04    3.98752e+05   -2.33844e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64119e+04   -2.44703e+06    4.80447e+05   -1.96658e+06    2.43062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11482e+02   -2.07255e+02   -3.01993e+01    6.29572e-06


DD  step 228809999 load imb.: force 15.1%  pme mesh/force 0.773
           Step           Time
      228810000   457620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20589e+03    1.98329e+04    1.29312e+04    1.15236e+03   -3.05886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80433e+03    9.26461e+04    4.02071e+05   -2.33344e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66815e+04   -2.44435e+06    4.78840e+05   -1.96551e+06    2.43068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10440e+02   -2.06370e+02    5.45936e+01    6.13576e-06


DD  step 228814999 load imb.: force 14.9%  pme mesh/force 0.730
           Step           Time
      228815000   457630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96499e+03    1.94578e+04    1.29520e+04    1.18581e+03   -3.07044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87427e+03    9.36632e+04    4.01862e+05   -2.33908e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66512e+04   -2.44692e+06    4.79284e+05   -1.96764e+06    2.43073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10728e+02   -2.07369e+02    3.86179e+01    6.03103e-06


DD  step 228819999 load imb.: force 13.9%  pme mesh/force 0.705
           Step           Time
      228820000   457640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96205e+03    1.92014e+04    1.32069e+04    1.15466e+03   -3.06706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84635e+03    9.33319e+04    3.98282e+05   -2.33615e+04   -2.97240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64498e+04   -2.44440e+06    4.78895e+05   -1.96550e+06    2.43079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10476e+02   -2.06850e+02   -4.61953e+01    6.07622e-06


DD  step 228824999 load imb.: force 14.4%  pme mesh/force 0.699
           Step           Time
      228825000   457650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93065e+03    1.95445e+04    1.30312e+04    1.12179e+03   -3.03850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82886e+03    9.33024e+04    3.97003e+05   -2.33406e+04   -2.97295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65044e+04   -2.44606e+06    4.80819e+05   -1.96525e+06    2.43085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11723e+02   -2.06481e+02   -1.10854e+02    6.22575e-06


DD  step 228829999 load imb.: force 13.9%  pme mesh/force 0.729
           Step           Time
      228830000   457660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71105e+03    1.96251e+04    1.34439e+04    1.22769e+03   -3.12456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78501e+03    9.32114e+04    3.99125e+05   -2.34183e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62702e+04   -2.44571e+06    4.79775e+05   -1.96593e+06    2.43090e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.07855e+02    3.55037e+01    6.28264e-06


DD  step 228834999 load imb.: force 14.4%  pme mesh/force 0.750
           Step           Time
      228835000   457670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00061e+03    1.93259e+04    1.32266e+04    1.10972e+03   -2.99713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74020e+03    9.29480e+04    4.02628e+05   -2.34100e+04   -2.97916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67028e+04   -2.44688e+06    4.79413e+05   -1.96747e+06    2.43097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10812e+02   -2.07708e+02    7.68238e+01    6.09809e-06


DD  step 228839999 load imb.: force 14.8%  pme mesh/force 0.661
           Step           Time
      228840000   457680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01123e+03    1.93782e+04    1.29535e+04    1.16202e+03   -2.99031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85385e+03    9.31862e+04    3.99860e+05   -2.33778e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65030e+04   -2.44743e+06    4.78065e+05   -1.96936e+06    2.43102e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.07137e+02   -6.95621e+01    6.09039e-06


DD  step 228844999 load imb.: force 15.5%  pme mesh/force 0.747
           Step           Time
      228845000   457690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00165e+03    1.95680e+04    1.29843e+04    1.21911e+03   -2.93846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77173e+03    9.29037e+04    4.00027e+05   -2.33679e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66860e+04   -2.44468e+06    4.79065e+05   -1.96562e+06    2.43108e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10587e+02   -2.06963e+02   -2.17350e+01    6.17775e-06


DD  step 228849999 load imb.: force 15.0%  pme mesh/force 0.752
           Step           Time
      228850000   457700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38135e+03    1.92420e+04    1.30074e+04    1.17240e+03   -2.97398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80848e+03    9.27617e+04    3.97889e+05   -2.33493e+04   -2.97262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66249e+04   -2.44506e+06    4.78837e+05   -1.96622e+06    2.43114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10439e+02   -2.06634e+02   -9.48294e+01    6.15228e-06


DD  step 228854999 load imb.: force 13.4%  pme mesh/force 0.708
           Step           Time
      228855000   457710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97689e+03    1.93102e+04    1.30734e+04    1.10833e+03   -3.05769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83773e+03    9.35934e+04    4.00688e+05   -2.33845e+04   -2.98179e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62834e+04   -2.45136e+06    4.77811e+05   -1.97355e+06    2.43119e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09773e+02   -2.07256e+02   -9.74800e+01    6.10785e-06


DD  step 228859999 load imb.: force 13.2%  pme mesh/force 0.708
           Step           Time
      228860000   457720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19613e+03    1.91643e+04    1.30696e+04    1.21541e+03   -3.06810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82471e+03    9.29945e+04    4.02290e+05   -2.33565e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64754e+04   -2.44578e+06    4.79356e+05   -1.96642e+06    2.43125e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.06761e+02    2.84118e+01    6.20652e-06


DD  step 228864999 load imb.: force 12.5%  pme mesh/force 0.708
           Step           Time
      228865000   457730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11313e+03    1.94503e+04    1.31016e+04    1.20452e+03   -3.05620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85173e+03    9.29102e+04    4.00713e+05   -2.33847e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62838e+04   -2.44753e+06    4.80595e+05   -1.96694e+06    2.43131e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.07259e+02    3.89419e+01    6.23437e-06


DD  step 228869999 load imb.: force 13.9%  pme mesh/force 0.741
           Step           Time
      228870000   457740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98215e+03    1.92303e+04    1.29398e+04    1.18705e+03   -2.95136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77491e+03    9.35272e+04    4.02866e+05   -2.33726e+04   -2.97974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65867e+04   -2.44697e+06    4.79721e+05   -1.96725e+06    2.43136e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.07045e+02    6.39949e+01    6.23913e-06


DD  step 228874999 load imb.: force 13.6%  pme mesh/force 0.730
           Step           Time
      228875000   457750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06088e+03    1.95984e+04    1.31011e+04    1.13792e+03   -3.07345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91298e+03    9.33702e+04    3.99899e+05   -2.33583e+04   -2.97340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66552e+04   -2.44310e+06    4.79496e+05   -1.96360e+06    2.43142e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.06793e+02    1.51062e+01    6.30027e-06


DD  step 228879999 load imb.: force 11.1%  pme mesh/force 0.757
           Step           Time
      228880000   457760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20265e+03    1.91802e+04    1.30681e+04    1.22079e+03   -3.06548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79988e+03    9.29726e+04    4.03672e+05   -2.33969e+04   -2.98194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64752e+04   -2.44881e+06    4.79884e+05   -1.96893e+06    2.43148e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11117e+02   -2.07476e+02    6.61520e+01    6.41544e-06


DD  step 228884999 load imb.: force 12.2%  pme mesh/force 0.711
           Step           Time
      228885000   457770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81772e+03    1.92783e+04    1.30699e+04    1.14320e+03   -3.11144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86759e+03    9.31810e+04    4.03862e+05   -2.34132e+04   -2.98285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65251e+04   -2.44963e+06    4.80748e+05   -1.96888e+06    2.43154e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11678e+02   -2.07765e+02    1.12264e+02    6.23631e-06


DD  step 228889999 load imb.: force 16.0%  pme mesh/force 0.740
           Step           Time
      228890000   457780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18364e+03    1.90943e+04    1.31915e+04    1.23532e+03   -2.98447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78273e+03    9.29582e+04    4.03444e+05   -2.34023e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67096e+04   -2.44679e+06    4.81204e+05   -1.96559e+06    2.43160e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11973e+02   -2.07572e+02    9.11807e+01    6.25733e-06


DD  step 228894999 load imb.: force 12.7%  pme mesh/force 0.729
           Step           Time
      228895000   457790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80044e+03    1.91636e+04    1.32489e+04    1.25041e+03   -3.14985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92596e+03    9.32028e+04    3.99137e+05   -2.33795e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64366e+04   -2.44666e+06    4.78177e+05   -1.96848e+06    2.43166e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10011e+02   -2.07168e+02    3.41809e+00    6.11264e-06


DD  step 228899999 load imb.: force 12.4%  pme mesh/force 0.721
           Step           Time
      228900000   457800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08714e+03    1.95209e+04    1.32375e+04    1.19811e+03   -3.06441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82296e+03    9.30460e+04    4.00263e+05   -2.34116e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66757e+04   -2.44710e+06    4.79675e+05   -1.96742e+06    2.43172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10982e+02   -2.07737e+02    4.11915e+01    6.49687e-06


DD  step 228904999 load imb.: force 12.1%  pme mesh/force 0.713
           Step           Time
      228905000   457810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06187e+03    1.92693e+04    1.31693e+04    1.14366e+03   -3.01916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.03547e+03    9.32808e+04    4.00003e+05   -2.33986e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66308e+04   -2.44528e+06    4.78957e+05   -1.96632e+06    2.43178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.07506e+02    9.33483e+01    6.19102e-06


DD  step 228909999 load imb.: force 12.6%  pme mesh/force 0.709
           Step           Time
      228910000   457820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02214e+03    1.95118e+04    1.31092e+04    1.19474e+03   -3.05488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84436e+03    9.32883e+04    4.00181e+05   -2.34338e+04   -2.98063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64752e+04   -2.45049e+06    4.80472e+05   -1.97002e+06    2.43183e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11499e+02   -2.08131e+02   -1.89594e+01    6.06607e-06


DD  step 228914999 load imb.: force 12.4%  pme mesh/force 0.715
           Step           Time
      228915000   457830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86147e+03    1.95110e+04    1.32230e+04    1.20948e+03   -3.12272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82553e+03    9.32959e+04    4.00256e+05   -2.33581e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63674e+04   -2.44661e+06    4.78443e+05   -1.96816e+06    2.43189e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10183e+02   -2.06789e+02   -2.16680e+01    6.01419e-06


DD  step 228919999 load imb.: force 11.6%  pme mesh/force 0.706
           Step           Time
      228920000   457840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87646e+03    1.92251e+04    1.31311e+04    1.18664e+03   -3.12253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75375e+03    9.34692e+04    3.96991e+05   -2.33730e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65731e+04   -2.44799e+06    4.81236e+05   -1.96676e+06    2.43194e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11994e+02   -2.07054e+02   -1.03766e+02    6.22149e-06


DD  step 228924999 load imb.: force 12.3%  pme mesh/force 0.728
           Step           Time
      228925000   457850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94435e+03    1.92774e+04    1.30532e+04    1.14605e+03   -3.01822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76421e+03    9.28516e+04    4.03522e+05   -2.34016e+04   -2.98057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66550e+04   -2.44778e+06    4.79357e+05   -1.96842e+06    2.43200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10776e+02   -2.07560e+02    1.04849e+02    6.11669e-06


DD  step 228929999 load imb.: force 13.5%  pme mesh/force 0.725
           Step           Time
      228930000   457860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22243e+03    1.94708e+04    1.30254e+04    1.10567e+03   -2.97725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81132e+03    9.31266e+04    4.01106e+05   -2.33873e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63273e+04   -2.44797e+06    4.80219e+05   -1.96775e+06    2.43206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11334e+02   -2.07306e+02    5.18750e+01    6.15143e-06


DD  step 228934999 load imb.: force 12.9%  pme mesh/force 0.729
           Step           Time
      228935000   457870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90227e+03    1.95093e+04    1.32741e+04    1.21950e+03   -3.08213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78771e+03    9.30814e+04    4.00456e+05   -2.34056e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63621e+04   -2.44716e+06    4.79360e+05   -1.96780e+06    2.43212e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.07631e+02   -1.70817e+01    6.26634e-06


DD  step 228939999 load imb.: force 11.5%  pme mesh/force 0.725
           Step           Time
      228940000   457880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90492e+03    1.93593e+04    1.28759e+04    1.23943e+03   -3.08557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75702e+03    9.33205e+04    4.03670e+05   -2.33543e+04   -2.98281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64657e+04   -2.44966e+06    4.78478e+05   -1.97118e+06    2.43217e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10206e+02   -2.06722e+02    4.94678e+00    6.29213e-06


DD  step 228944999 load imb.: force 16.9%  pme mesh/force 0.756
           Step           Time
      228945000   457890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91169e+03    1.95140e+04    1.31089e+04    1.21843e+03   -3.09101e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86492e+03    9.34867e+04    3.97960e+05   -2.33562e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64179e+04   -2.44628e+06    4.77642e+05   -1.96864e+06    2.43224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09664e+02   -2.06755e+02   -8.42605e+01    6.20974e-06


DD  step 228949999 load imb.: force 11.3%  pme mesh/force 0.700
           Step           Time
      228950000   457900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07328e+03    1.93825e+04    1.31620e+04    1.16560e+03   -3.07153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75929e+03    9.34863e+04    3.99894e+05   -2.33940e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66114e+04   -2.44788e+06    4.77825e+05   -1.97006e+06    2.43229e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09782e+02   -2.07425e+02   -2.73837e+00    6.23250e-06


DD  step 228954999 load imb.: force 13.7%  pme mesh/force 0.715
           Step           Time
      228955000   457910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90578e+03    1.94622e+04    1.30404e+04    1.16697e+03   -3.02287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88216e+03    9.28356e+04    4.00460e+05   -2.33173e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68715e+04   -2.44593e+06    4.82285e+05   -1.96364e+06    2.43235e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12674e+02   -2.06068e+02   -4.00095e+00    6.14459e-06


DD  step 228959999 load imb.: force 13.0%  pme mesh/force 0.730
           Step           Time
      228960000   457920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02609e+03    1.94321e+04    1.29192e+04    1.12135e+03   -3.01147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88228e+03    9.29639e+04    3.98858e+05   -2.33525e+04   -2.97151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67336e+04   -2.44294e+06    4.78647e+05   -1.96429e+06    2.43241e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10315e+02   -2.06690e+02    9.17688e+00    6.21608e-06


DD  step 228964999 load imb.: force 11.7%  pme mesh/force 0.706
           Step           Time
      228965000   457930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98623e+03    1.96303e+04    1.31317e+04    1.26402e+03   -3.08413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88306e+03    9.30526e+04    3.98161e+05   -2.33494e+04   -2.97378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65262e+04   -2.44558e+06    4.82133e+05   -1.96344e+06    2.43246e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12576e+02   -2.06635e+02   -3.39985e+01    6.22395e-06


DD  step 228969999 load imb.: force 12.2%  pme mesh/force 0.683
           Step           Time
      228970000   457940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09085e+03    1.93267e+04    1.30247e+04    1.11639e+03   -3.07897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88671e+03    9.35900e+04    3.98642e+05   -2.33977e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64659e+04   -2.44779e+06    4.80035e+05   -1.96775e+06    2.43253e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.07490e+02   -6.18147e+01    6.22827e-06


DD  step 228974999 load imb.: force 11.5%  pme mesh/force 0.711
           Step           Time
      228975000   457950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91109e+03    1.93634e+04    1.31759e+04    1.11759e+03   -3.04451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83017e+03    9.27771e+04    4.00648e+05   -2.33561e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65450e+04   -2.44872e+06    4.80745e+05   -1.96797e+06    2.43258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11676e+02   -2.06754e+02   -1.74164e+01    6.35292e-06


DD  step 228979999 load imb.: force 11.9%  pme mesh/force 0.701
           Step           Time
      228980000   457960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58933e+03    1.90859e+04    1.33384e+04    1.18608e+03   -3.12824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95625e+03    9.37749e+04    3.96655e+05   -2.33766e+04   -2.97378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63351e+04   -2.44736e+06    4.78821e+05   -1.96854e+06    2.43264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10428e+02   -2.07117e+02   -1.21494e+02    6.28778e-06


DD  step 228984999 load imb.: force 12.5%  pme mesh/force 0.712
           Step           Time
      228985000   457970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13825e+03    1.92764e+04    1.30311e+04    1.15672e+03   -3.00404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90714e+03    9.26031e+04    3.98642e+05   -2.33430e+04   -2.97100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66811e+04   -2.44292e+06    4.78944e+05   -1.96397e+06    2.43270e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10508e+02   -2.06523e+02    1.46003e+01    6.12073e-06


DD  step 228989999 load imb.: force 14.2%  pme mesh/force 0.741
           Step           Time
      228990000   457980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97398e+03    1.97006e+04    1.30940e+04    1.11406e+03   -3.05999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73411e+03    9.31169e+04    3.99825e+05   -2.33416e+04   -2.97521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65121e+04   -2.44554e+06    4.79834e+05   -1.96571e+06    2.43275e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11085e+02   -2.06498e+02   -5.72555e+01    6.23916e-06


DD  step 228994999 load imb.: force 11.9%  pme mesh/force 0.708
           Step           Time
      228995000   457990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03317e+03    1.90846e+04    1.31550e+04    1.16853e+03   -3.04295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75246e+03    9.25603e+04    3.99099e+05   -2.33575e+04   -2.97931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65997e+04   -2.45126e+06    4.78522e+05   -1.97273e+06    2.43281e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.06778e+02   -1.07488e+02    6.12856e-06


DD  step 228999999 load imb.: force 12.2%  pme mesh/force 0.725
           Step           Time
      229000000   458000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80159e+03    1.93456e+04    1.31294e+04    1.17240e+03   -3.06362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89325e+03    9.25513e+04    4.01176e+05   -2.34118e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64001e+04   -2.44963e+06    4.77647e+05   -1.97198e+06    2.43287e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09667e+02   -2.07739e+02    1.45273e+01    6.00014e-06

Writing checkpoint, step 229002900 at Wed Nov  8 02:16:28 2023



DD  step 229004999 load imb.: force 11.5%  pme mesh/force 0.684
           Step           Time
      229005000   458010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97906e+03    1.92713e+04    1.30123e+04    1.14761e+03   -2.95116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78713e+03    9.27797e+04    3.97776e+05   -2.33818e+04   -2.97249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64641e+04   -2.44560e+06    4.80673e+05   -1.96493e+06    2.43293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11629e+02   -2.07209e+02   -7.74525e+01    6.02118e-06


DD  step 229009999 load imb.: force 12.8%  pme mesh/force 0.760
           Step           Time
      229010000   458020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99404e+03    1.96805e+04    1.31173e+04    1.23464e+03   -3.12540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86675e+03    9.31615e+04    3.99332e+05   -2.33370e+04   -2.97432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65687e+04   -2.44483e+06    4.81734e+05   -1.96309e+06    2.43299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12317e+02   -2.06417e+02    3.44255e+00    6.11622e-06


DD  step 229014999 load imb.: force 12.7%  pme mesh/force 0.715
           Step           Time
      229015000   458030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06280e+03    1.95763e+04    1.30981e+04    1.19588e+03   -3.06700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81732e+03    9.28125e+04    3.99333e+05   -2.33287e+04   -2.97127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65820e+04   -2.44218e+06    4.79875e+05   -1.96231e+06    2.43305e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.06271e+02   -3.64942e+01    6.28967e-06


DD  step 229019999 load imb.: force 14.8%  pme mesh/force 0.774
           Step           Time
      229020000   458040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87837e+03    1.95974e+04    1.32712e+04    1.27389e+03   -3.15973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88572e+03    9.28390e+04    3.99743e+05   -2.34008e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62815e+04   -2.44622e+06    4.77802e+05   -1.96842e+06    2.43311e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09768e+02   -2.07545e+02    6.63070e+01    6.01563e-06


DD  step 229024999 load imb.: force 11.8%  pme mesh/force 0.710
           Step           Time
      229025000   458050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16471e+03    1.92247e+04    1.31374e+04    1.16793e+03   -3.02689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85332e+03    9.26546e+04    4.01765e+05   -2.33658e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68519e+04   -2.44758e+06    4.79751e+05   -1.96783e+06    2.43316e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11031e+02   -2.06925e+02    3.97974e+01    5.96391e-06


DD  step 229029999 load imb.: force 11.3%  pme mesh/force 0.676
           Step           Time
      229030000   458060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96738e+03    1.92724e+04    1.31386e+04    1.21222e+03   -3.00491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70548e+03    9.30030e+04    3.99759e+05   -2.33800e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63094e+04   -2.44776e+06    4.78787e+05   -1.96897e+06    2.43322e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10406e+02   -2.07176e+02   -5.32593e+01    6.11677e-06


DD  step 229034999 load imb.: force 10.7%  pme mesh/force 0.691
           Step           Time
      229035000   458070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21944e+03    1.97570e+04    1.31306e+04    1.21314e+03   -3.18366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74180e+03    9.28278e+04    3.96143e+05   -2.33876e+04   -2.97182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65137e+04   -2.44584e+06    4.79848e+05   -1.96599e+06    2.43328e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11094e+02   -2.07311e+02   -1.13324e+02    6.11279e-06


DD  step 229039999 load imb.: force 12.0%  pme mesh/force 0.706
           Step           Time
      229040000   458080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69266e+03    1.93017e+04    1.30400e+04    1.21817e+03   -3.05528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91247e+03    9.28219e+04    4.00693e+05   -2.33772e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64542e+04   -2.44843e+06    4.80353e+05   -1.96808e+06    2.43334e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11422e+02   -2.07127e+02    6.21359e+00    6.14459e-06


DD  step 229044999 load imb.: force 13.2%  pme mesh/force 0.730
           Step           Time
      229045000   458090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84606e+03    1.94304e+04    1.30538e+04    1.17384e+03   -3.05089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89123e+03    9.30773e+04    4.01437e+05   -2.33680e+04   -2.98063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65276e+04   -2.44961e+06    4.79588e+05   -1.97002e+06    2.43340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.06965e+02   -1.05916e+00    6.08361e-06


DD  step 229049999 load imb.: force 12.3%  pme mesh/force 0.690
           Step           Time
      229050000   458100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90740e+03    1.95951e+04    1.31703e+04    1.26000e+03   -3.01784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89927e+03    9.33159e+04    3.99469e+05   -2.34312e+04   -2.97440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62596e+04   -2.44497e+06    4.80185e+05   -1.96479e+06    2.43346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.08084e+02    5.97560e+00    6.08353e-06


DD  step 229054999 load imb.: force 13.2%  pme mesh/force 0.719
           Step           Time
      229055000   458110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00301e+03    1.95194e+04    1.30693e+04    1.19589e+03   -3.04244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81269e+03    9.31700e+04    4.03232e+05   -2.33867e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65190e+04   -2.44552e+06    4.80314e+05   -1.96520e+06    2.43351e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11396e+02   -2.07296e+02    9.18422e+01    6.38259e-06


DD  step 229059999 load imb.: force 14.2%  pme mesh/force 0.746
           Step           Time
      229060000   458120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02807e+03    1.91974e+04    1.32036e+04    1.21823e+03   -3.05705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95681e+03    9.31484e+04    4.01938e+05   -2.33767e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67031e+04   -2.44610e+06    4.79240e+05   -1.96686e+06    2.43357e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10700e+02   -2.07118e+02    6.72654e+01    6.17866e-06


DD  step 229064999 load imb.: force 14.4%  pme mesh/force 0.756
           Step           Time
      229065000   458130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03836e+03    1.95023e+04    1.31396e+04    1.15117e+03   -3.04616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80522e+03    9.31876e+04    4.01970e+05   -2.33403e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66112e+04   -2.44710e+06    4.80873e+05   -1.96622e+06    2.43362e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11758e+02   -2.06474e+02    3.47151e+01    6.25573e-06


DD  step 229069999 load imb.: force 13.7%  pme mesh/force 0.718
           Step           Time
      229070000   458140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08996e+03    1.98273e+04    1.31266e+04    1.17585e+03   -3.05202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97943e+03    9.25848e+04    3.97789e+05   -2.33943e+04   -2.97044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64640e+04   -2.44285e+06    4.81257e+05   -1.96159e+06    2.43368e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12007e+02   -2.07430e+02    1.43399e+01    6.11439e-06


DD  step 229074999 load imb.: force 13.9%  pme mesh/force 0.745
           Step           Time
      229075000   458150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84017e+03    1.93425e+04    1.30343e+04    1.20603e+03   -3.04341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73121e+03    9.28616e+04    4.02758e+05   -2.33160e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66909e+04   -2.44580e+06    4.80911e+05   -1.96489e+06    2.43374e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11783e+02   -2.06046e+02    3.12257e+00    6.30847e-06


DD  step 229079999 load imb.: force 12.5%  pme mesh/force 0.726
           Step           Time
      229080000   458160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14072e+03    1.91447e+04    1.31349e+04    1.24806e+03   -3.17881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80780e+03    9.28780e+04    4.00794e+05   -2.34026e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66485e+04   -2.44604e+06    4.79597e+05   -1.96644e+06    2.43380e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07578e+02   -5.47913e-01    6.36280e-06


DD  step 229084999 load imb.: force 12.9%  pme mesh/force 0.720
           Step           Time
      229085000   458170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16817e+03    1.93030e+04    1.30540e+04    1.22286e+03   -2.95063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83033e+03    9.25522e+04    4.00833e+05   -2.33506e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66363e+04   -2.44765e+06    4.81049e+05   -1.96660e+06    2.43385e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11873e+02   -2.06657e+02   -2.91883e+01    6.07759e-06


DD  step 229089999 load imb.: force 13.2%  pme mesh/force 0.749
           Step           Time
      229090000   458180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21140e+03    1.94470e+04    1.31109e+04    1.28232e+03   -3.02522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90912e+03    9.26548e+04    4.01162e+05   -2.34208e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66265e+04   -2.44715e+06    4.79886e+05   -1.96726e+06    2.43391e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11119e+02   -2.07900e+02    3.26149e+01    6.16751e-06


DD  step 229094999 load imb.: force 13.7%  pme mesh/force 0.761
           Step           Time
      229095000   458190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98228e+03    1.93109e+04    1.29718e+04    1.21620e+03   -3.16084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85609e+03    9.29564e+04    4.03573e+05   -2.33987e+04   -2.98282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63926e+04   -2.45012e+06    4.79657e+05   -1.97046e+06    2.43397e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10970e+02   -2.07507e+02    4.69263e+01    6.23411e-06


DD  step 229099999 load imb.: force 12.7%  pme mesh/force 0.719
           Step           Time
      229100000   458200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00091e+03    1.93612e+04    1.30346e+04    1.25306e+03   -2.93803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85339e+03    9.32299e+04    4.01145e+05   -2.34034e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62787e+04   -2.44751e+06    4.79790e+05   -1.96772e+06    2.43404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11056e+02   -2.07591e+02    2.33860e+01    6.04788e-06


DD  step 229104999 load imb.: force 11.6%  pme mesh/force 0.706
           Step           Time
      229105000   458210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08972e+03    1.95081e+04    1.30053e+04    1.24566e+03   -3.03464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77366e+03    9.26491e+04    3.99985e+05   -2.33619e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65981e+04   -2.44675e+06    4.80369e+05   -1.96638e+06    2.43409e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11432e+02   -2.06856e+02    4.08389e+00    6.18887e-06


DD  step 229109999 load imb.: force 12.1%  pme mesh/force 0.696
           Step           Time
      229110000   458220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85146e+03    1.94891e+04    1.31297e+04    1.24289e+03   -3.09682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94056e+03    9.20924e+04    4.02406e+05   -2.33516e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66292e+04   -2.44645e+06    4.82159e+05   -1.96429e+06    2.43414e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12592e+02   -2.06675e+02    9.34841e+01    6.24273e-06


DD  step 229114999 load imb.: force 12.5%  pme mesh/force 0.702
           Step           Time
      229115000   458230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97418e+03    1.96835e+04    1.28261e+04    1.13782e+03   -3.03014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80868e+03    9.29941e+04    4.04522e+05   -2.34124e+04   -2.98081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66973e+04   -2.44661e+06    4.80114e+05   -1.96649e+06    2.43421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11266e+02   -2.07751e+02    1.51106e+02    6.27364e-06


DD  step 229119999 load imb.: force 13.4%  pme mesh/force 0.725
           Step           Time
      229120000   458240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00887e+03    1.95953e+04    1.30466e+04    1.13150e+03   -2.96428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85858e+03    9.28361e+04    4.02232e+05   -2.33632e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64598e+04   -2.44690e+06    4.78805e+05   -1.96809e+06    2.43427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10418e+02   -2.06880e+02    1.79067e+01    6.12116e-06


DD  step 229124999 load imb.: force 15.1%  pme mesh/force 0.743
           Step           Time
      229125000   458250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93782e+03    1.91040e+04    1.32426e+04    1.12560e+03   -3.04663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88152e+03    9.32132e+04    3.98389e+05   -2.33960e+04   -2.97718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66088e+04   -2.44912e+06    4.79460e+05   -1.96966e+06    2.43432e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10842e+02   -2.07460e+02   -6.52738e+01    6.20775e-06


DD  step 229129999 load imb.: force 11.9%  pme mesh/force 0.706
           Step           Time
      229130000   458260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96689e+03    1.95360e+04    1.31398e+04    1.23773e+03   -3.08027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85694e+03    9.32558e+04    4.01476e+05   -2.33343e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64760e+04   -2.44486e+06    4.80125e+05   -1.96474e+06    2.43439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11273e+02   -2.06369e+02    3.79074e+01    6.26667e-06


DD  step 229134999 load imb.: force 15.2%  pme mesh/force 0.727
           Step           Time
      229135000   458270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09930e+03    1.95311e+04    1.29873e+04    1.13294e+03   -3.08665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78678e+03    9.27036e+04    4.00771e+05   -2.33671e+04   -2.97532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65867e+04   -2.44517e+06    4.79293e+05   -1.96588e+06    2.43444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.06949e+02    1.93420e-01    5.95498e-06


DD  step 229139999 load imb.: force 14.0%  pme mesh/force 0.733
           Step           Time
      229140000   458280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78898e+03    1.92966e+04    1.30414e+04    1.24925e+03   -2.95066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85884e+03    9.36745e+04    3.99539e+05   -2.33798e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65427e+04   -2.44788e+06    4.79668e+05   -1.96821e+06    2.43450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10978e+02   -2.07173e+02   -3.65431e+01    6.24894e-06


DD  step 229144999 load imb.: force 11.3%  pme mesh/force 0.695
           Step           Time
      229145000   458290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87858e+03    1.98296e+04    1.31715e+04    1.11672e+03   -3.07618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81460e+03    9.27344e+04    3.99300e+05   -2.33487e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67517e+04   -2.44514e+06    4.79042e+05   -1.96610e+06    2.43455e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10572e+02   -2.06622e+02    7.87175e+00    6.11159e-06


DD  step 229149999 load imb.: force 12.2%  pme mesh/force 0.715
           Step           Time
      229150000   458300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19496e+03    1.91343e+04    1.30969e+04    1.12233e+03   -3.00099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88129e+03    9.32151e+04    4.00298e+05   -2.33613e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65606e+04   -2.44926e+06    4.77509e+05   -1.97175e+06    2.43462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09578e+02   -2.06847e+02   -2.53271e+01    6.11798e-06


DD  step 229154999 load imb.: force 12.7%  pme mesh/force 0.714
           Step           Time
      229155000   458310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08539e+03    1.98803e+04    1.30915e+04    1.24901e+03   -3.07379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76212e+03    9.29942e+04    4.02011e+05   -2.33765e+04   -2.98041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66519e+04   -2.44813e+06    4.81669e+05   -1.96647e+06    2.43467e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12274e+02   -2.07114e+02    1.32832e+01    6.26351e-06


DD  step 229159999 load imb.: force 11.7%  pme mesh/force 0.692
           Step           Time
      229160000   458320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92082e+03    1.93801e+04    1.31877e+04    1.22983e+03   -3.05642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73487e+03    9.30867e+04    4.01547e+05   -2.34243e+04   -2.98217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63723e+04   -2.45119e+06    4.80354e+05   -1.97084e+06    2.43472e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11422e+02   -2.07962e+02    3.86509e+01    6.23399e-06


DD  step 229164999 load imb.: force 11.2%  pme mesh/force 0.688
           Step           Time
      229165000   458330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81791e+03    1.90768e+04    1.31633e+04    1.23813e+03   -3.12801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92036e+03    9.38200e+04    4.00466e+05   -2.33704e+04   -2.97508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65095e+04   -2.44457e+06    4.79967e+05   -1.96460e+06    2.43479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.07008e+02    4.72640e+01    6.24686e-06


DD  step 229169999 load imb.: force 11.2%  pme mesh/force 0.706
           Step           Time
      229170000   458340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17775e+03    1.90101e+04    1.32435e+04    1.27628e+03   -3.12137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82171e+03    9.31533e+04    3.99240e+05   -2.33755e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64659e+04   -2.44656e+06    4.78504e+05   -1.96805e+06    2.43485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10223e+02   -2.07097e+02   -3.76010e+01    6.13111e-06


DD  step 229174999 load imb.: force 12.1%  pme mesh/force 0.711
           Step           Time
      229175000   458350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93622e+03    1.91881e+04    1.30141e+04    1.19510e+03   -3.08752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92878e+03    9.31075e+04    4.02627e+05   -2.34111e+04   -2.98191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66727e+04   -2.44974e+06    4.80553e+05   -1.96919e+06    2.43490e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11551e+02   -2.07727e+02    4.40433e+01    6.26579e-06


DD  step 229179999 load imb.: force 13.8%  pme mesh/force 0.714
           Step           Time
      229180000   458360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11421e+03    1.92500e+04    1.31020e+04    1.16470e+03   -3.06080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72183e+03    9.28013e+04    4.01246e+05   -2.33833e+04   -2.97921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66152e+04   -2.44864e+06    4.78656e+05   -1.96999e+06    2.43496e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10321e+02   -2.07235e+02    1.01022e+01    6.25122e-06


DD  step 229184999 load imb.: force 10.9%  pme mesh/force 0.691
           Step           Time
      229185000   458370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01649e+03    1.96283e+04    1.31534e+04    1.18554e+03   -3.16324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91792e+03    9.35533e+04    3.96977e+05   -2.34029e+04   -2.97430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64675e+04   -2.44697e+06    4.81382e+05   -1.96559e+06    2.43502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12089e+02   -2.07582e+02   -4.59459e+01    6.11170e-06


DD  step 229189999 load imb.: force 13.4%  pme mesh/force 0.700
           Step           Time
      229190000   458380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10273e+03    1.95784e+04    1.31817e+04    1.16306e+03   -3.13511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75803e+03    9.28398e+04    4.04603e+05   -2.33831e+04   -2.98346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65232e+04   -2.44923e+06    4.82255e+05   -1.96697e+06    2.43508e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12655e+02   -2.07231e+02    7.55473e+01    6.15758e-06


DD  step 229194999 load imb.: force 12.4%  pme mesh/force 0.677
           Step           Time
      229195000   458390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11717e+03    1.94383e+04    1.31388e+04    1.13400e+03   -3.05826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87565e+03    9.35172e+04    3.99919e+05   -2.34205e+04   -2.97628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64953e+04   -2.44613e+06    4.80189e+05   -1.96594e+06    2.43514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.07894e+02   -8.77502e+00    6.24926e-06


DD  step 229199999 load imb.: force 12.1%  pme mesh/force 0.702
           Step           Time
      229200000   458400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15826e+03    1.97952e+04    1.30635e+04    1.16573e+03   -3.02858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79237e+03    9.26562e+04    4.02253e+05   -2.34282e+04   -2.97944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64077e+04   -2.44761e+06    4.81061e+05   -1.96655e+06    2.43520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11880e+02   -2.08030e+02    8.85974e+01    6.05827e-06


DD  step 229204999 load imb.: force 11.8%  pme mesh/force 0.702
           Step           Time
      229205000   458410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93279e+03    1.93938e+04    1.31103e+04    1.13162e+03   -3.11193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87776e+03    9.28802e+04    4.00282e+05   -2.34080e+04   -2.97775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65121e+04   -2.44815e+06    4.78237e+05   -1.96991e+06    2.43525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10050e+02   -2.07672e+02    3.42235e+01    6.06089e-06


DD  step 229209999 load imb.: force 12.5%  pme mesh/force 0.710
           Step           Time
      229210000   458420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93296e+03    1.93597e+04    1.31258e+04    1.11093e+03   -2.99178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88111e+03    9.32626e+04    3.98239e+05   -2.33651e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65184e+04   -2.44684e+06    4.81049e+05   -1.96579e+06    2.43531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11872e+02   -2.06913e+02   -3.51821e+01    6.18869e-06


DD  step 229214999 load imb.: force 11.7%  pme mesh/force 0.718
           Step           Time
      229215000   458430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07239e+03    1.94397e+04    1.31054e+04    1.16528e+03   -3.04171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79386e+03    9.29635e+04    4.01699e+05   -2.33725e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64467e+04   -2.44833e+06    4.79511e+05   -1.96882e+06    2.43537e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.07044e+02   -2.60397e+00    6.23639e-06


DD  step 229219999 load imb.: force 10.4%  pme mesh/force 0.695
           Step           Time
      229220000   458440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95444e+03    1.94235e+04    1.30196e+04    1.12953e+03   -3.15401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78052e+03    9.31116e+04    4.01039e+05   -2.33952e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63172e+04   -2.45010e+06    4.80095e+05   -1.97001e+06    2.43543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.07447e+02    2.66248e+01    6.30292e-06


DD  step 229224999 load imb.: force 11.3%  pme mesh/force 0.703
           Step           Time
      229225000   458450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92205e+03    1.93133e+04    1.32695e+04    1.22660e+03   -3.07359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90883e+03    9.31445e+04    3.98661e+05   -2.33719e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64369e+04   -2.44507e+06    4.78501e+05   -1.96656e+06    2.43549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.07033e+02   -2.07199e+01    6.13872e-06


DD  step 229229999 load imb.: force 12.2%  pme mesh/force 0.715
           Step           Time
      229230000   458460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98298e+03    1.95771e+04    1.30020e+04    1.19117e+03   -3.02949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82153e+03    9.28956e+04    3.98016e+05   -2.33395e+04   -2.97315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65171e+04   -2.44552e+06    4.81066e+05   -1.96445e+06    2.43554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11884e+02   -2.06461e+02   -5.28501e+01    6.31075e-06


DD  step 229234999 load imb.: force 12.0%  pme mesh/force 0.727
           Step           Time
      229235000   458470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04124e+03    1.92052e+04    1.30401e+04    1.13916e+03   -3.05297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70228e+03    9.29042e+04    3.99584e+05   -2.33537e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65264e+04   -2.44852e+06    4.78307e+05   -1.97021e+06    2.43560e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10095e+02   -2.06712e+02   -1.01210e+02    6.20796e-06


DD  step 229239999 load imb.: force 11.9%  pme mesh/force 0.701
           Step           Time
      229240000   458480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03304e+03    1.91859e+04    1.33027e+04    1.29136e+03   -3.12727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74097e+03    9.33912e+04    4.00928e+05   -2.34071e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64191e+04   -2.44734e+06    4.79812e+05   -1.96753e+06    2.43566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11071e+02   -2.07657e+02   -1.80559e+01    6.23037e-06


DD  step 229244999 load imb.: force 10.9%  pme mesh/force 0.679
           Step           Time
      229245000   458490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00385e+03    1.94233e+04    1.31282e+04    1.13690e+03   -3.11163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64455e+03    9.31664e+04    3.99790e+05   -2.34224e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64073e+04   -2.44966e+06    4.80739e+05   -1.96892e+06    2.43571e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11671e+02   -2.07928e+02   -4.54065e+01    6.11890e-06


DD  step 229249999 load imb.: force 11.1%  pme mesh/force 0.691
           Step           Time
      229250000   458500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95414e+03    1.93712e+04    1.31636e+04    1.17996e+03   -3.07107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86323e+03    9.27431e+04    3.97930e+05   -2.34254e+04   -2.97351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64418e+04   -2.44636e+06    4.79407e+05   -1.96695e+06    2.43577e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10808e+02   -2.07981e+02    5.74689e+00    6.21553e-06


DD  step 229254999 load imb.: force 12.4%  pme mesh/force 0.695
           Step           Time
      229255000   458510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92637e+03    1.92265e+04    1.29921e+04    1.10577e+03   -3.01111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91409e+03    9.27465e+04    4.01108e+05   -2.34200e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64057e+04   -2.44736e+06    4.79142e+05   -1.96822e+06    2.43583e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.07885e+02    8.39243e+01    6.22050e-06


DD  step 229259999 load imb.: force 13.2%  pme mesh/force 0.719
           Step           Time
      229260000   458520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06287e+03    1.94831e+04    1.29234e+04    1.14008e+03   -3.02943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86151e+03    9.22466e+04    3.99847e+05   -2.33690e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65669e+04   -2.44880e+06    4.78759e+05   -1.97005e+06    2.43589e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10388e+02   -2.06982e+02   -4.38097e+01    6.30746e-06


DD  step 229264999 load imb.: force  9.7%  pme mesh/force 0.698
           Step           Time
      229265000   458530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96770e+03    1.92350e+04    1.29661e+04    1.17776e+03   -3.14328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85010e+03    9.27782e+04    3.98351e+05   -2.33826e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64446e+04   -2.44973e+06    4.78013e+05   -1.97172e+06    2.43594e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09904e+02   -2.07222e+02   -8.97358e+01    6.27208e-06


DD  step 229269999 load imb.: force 13.7%  pme mesh/force 0.729
           Step           Time
      229270000   458540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15296e+03    1.95397e+04    1.31852e+04    1.17525e+03   -3.08702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75468e+03    9.27921e+04    4.01151e+05   -2.33806e+04   -2.98119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63607e+04   -2.45055e+06    4.79109e+05   -1.97144e+06    2.43601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10615e+02   -2.07188e+02   -6.38000e+01    6.19643e-06


DD  step 229274999 load imb.: force 11.4%  pme mesh/force 0.707
           Step           Time
      229275000   458550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58803e+03    1.92233e+04    1.29679e+04    1.16734e+03   -3.03893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98810e+03    9.29778e+04    4.00443e+05   -2.33880e+04   -2.98001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65591e+04   -2.45052e+06    4.78203e+05   -1.97232e+06    2.43606e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10028e+02   -2.07319e+02    2.61976e+01    6.22462e-06


DD  step 229279999 load imb.: force 12.0%  pme mesh/force 0.709
           Step           Time
      229280000   458560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95535e+03    1.97075e+04    1.31298e+04    1.19445e+03   -3.05539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83921e+03    9.26363e+04    3.98670e+05   -2.33826e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65432e+04   -2.44595e+06    4.79875e+05   -1.96608e+06    2.43612e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.07222e+02   -7.14856e+01    6.12474e-06


DD  step 229284999 load imb.: force 13.0%  pme mesh/force 0.741
           Step           Time
      229285000   458570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04853e+03    1.94094e+04    1.31828e+04    1.22894e+03   -3.04589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89092e+03    9.28543e+04    3.97434e+05   -2.34109e+04   -2.97282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63584e+04   -2.44587e+06    4.77867e+05   -1.96800e+06    2.43618e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.07723e+02   -6.47339e+01    6.02036e-06


DD  step 229289999 load imb.: force 14.2%  pme mesh/force 0.741
           Step           Time
      229290000   458580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85856e+03    1.92732e+04    1.30633e+04    1.19879e+03   -3.16976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77932e+03    9.24960e+04    4.03138e+05   -2.33773e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65990e+04   -2.44985e+06    4.78940e+05   -1.97091e+06    2.43624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.07128e+02    3.27448e+01    6.35369e-06


DD  step 229294999 load imb.: force 11.9%  pme mesh/force 0.703
           Step           Time
      229295000   458590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01184e+03    1.97968e+04    1.29961e+04    1.21696e+03   -3.10828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73387e+03    9.26491e+04    4.03079e+05   -2.33905e+04   -2.97858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66407e+04   -2.44595e+06    4.81585e+05   -1.96436e+06    2.43629e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12220e+02   -2.07362e+02    1.17288e+02    6.15532e-06


DD  step 229299999 load imb.: force 14.0%  pme mesh/force 0.743
           Step           Time
      229300000   458600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91968e+03    1.92864e+04    1.30894e+04    1.19742e+03   -3.09708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86346e+03    9.30522e+04    4.02106e+05   -2.33943e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65994e+04   -2.44646e+06    4.79608e+05   -1.96686e+06    2.43635e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.07431e+02    7.94738e+01    6.16635e-06


DD  step 229304999 load imb.: force 13.6%  pme mesh/force 0.741
           Step           Time
      229305000   458610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07961e+03    1.94280e+04    1.30042e+04    1.23941e+03   -2.96987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75688e+03    9.26916e+04    4.02933e+05   -2.33602e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66013e+04   -2.44673e+06    4.81431e+05   -1.96529e+06    2.43641e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12120e+02   -2.06826e+02    1.87304e+01    6.21144e-06


DD  step 229309999 load imb.: force 12.8%  pme mesh/force 0.712
           Step           Time
      229310000   458620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98965e+03    1.91597e+04    1.30092e+04    1.19132e+03   -2.99241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76836e+03    9.35376e+04    4.00827e+05   -2.33727e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63002e+04   -2.44730e+06    4.80568e+05   -1.96673e+06    2.43647e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.07048e+02    2.66310e+01    6.11704e-06


DD  step 229314999 load imb.: force 13.7%  pme mesh/force 0.717
           Step           Time
      229315000   458630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81373e+03    1.95606e+04    1.31599e+04    1.17940e+03   -3.01057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89560e+03    9.31875e+04    3.98942e+05   -2.33652e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64312e+04   -2.44605e+06    4.79334e+05   -1.96672e+06    2.43653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.06915e+02   -6.31216e+01    6.20406e-06


DD  step 229319999 load imb.: force 13.1%  pme mesh/force 0.680
           Step           Time
      229320000   458640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98154e+03    1.96737e+04    1.31510e+04    1.25048e+03   -3.03515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80718e+03    9.31362e+04    4.02805e+05   -2.34153e+04   -2.98016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64713e+04   -2.44733e+06    4.80965e+05   -1.96637e+06    2.43658e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11818e+02   -2.07802e+02    1.12061e+02    6.26491e-06


DD  step 229324999 load imb.: force 13.2%  pme mesh/force 0.749
           Step           Time
      229325000   458650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02441e+03    1.93730e+04    1.30219e+04    1.25379e+03   -3.05847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85733e+03    9.28846e+04    4.01735e+05   -2.34172e+04   -2.97851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64690e+04   -2.44736e+06    4.78227e+05   -1.96914e+06    2.43664e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10043e+02   -2.07837e+02    5.89411e+01    6.13953e-06


DD  step 229329999 load imb.: force 13.1%  pme mesh/force 0.731
           Step           Time
      229330000   458660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83135e+03    1.96748e+04    1.32756e+04    1.15591e+03   -3.09864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97098e+03    9.31786e+04    3.98419e+05   -2.33558e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63679e+04   -2.44760e+06    4.82286e+05   -1.96531e+06    2.43669e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12675e+02   -2.06748e+02   -2.14923e+00    6.37093e-06


DD  step 229334999 load imb.: force 13.1%  pme mesh/force 0.732
           Step           Time
      229335000   458670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84528e+03    1.92135e+04    1.29567e+04    1.26244e+03   -3.11841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83226e+03    9.32038e+04    4.03265e+05   -2.34419e+04   -2.98202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64496e+04   -2.44956e+06    4.76817e+05   -1.97274e+06    2.43675e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09129e+02   -2.08275e+02    7.82552e+01    6.19713e-06


DD  step 229339999 load imb.: force 13.2%  pme mesh/force 0.734
           Step           Time
      229340000   458680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22618e+03    1.94599e+04    1.30038e+04    1.10901e+03   -3.03761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84194e+03    9.30170e+04    3.98859e+05   -2.33682e+04   -2.97305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64109e+04   -2.44453e+06    4.78725e+05   -1.96580e+06    2.43681e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10366e+02   -2.06967e+02   -5.43515e+01    6.17703e-06


DD  step 229344999 load imb.: force 11.3%  pme mesh/force 0.715
           Step           Time
      229345000   458690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83633e+03    1.95141e+04    1.31154e+04    1.14782e+03   -3.06038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82152e+03    9.31581e+04    4.01614e+05   -2.33978e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65973e+04   -2.44573e+06    4.79348e+05   -1.96638e+06    2.43687e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.07492e+02    7.97157e+01    6.33436e-06


DD  step 229349999 load imb.: force 12.3%  pme mesh/force 0.711
           Step           Time
      229350000   458700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13175e+03    1.95274e+04    1.31121e+04    1.19812e+03   -3.13403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78105e+03    9.31086e+04    3.99823e+05   -2.33495e+04   -2.97482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66388e+04   -2.44498e+06    4.82314e+05   -1.96267e+06    2.43693e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12693e+02   -2.06637e+02   -4.50049e+01    6.32837e-06


DD  step 229354999 load imb.: force 10.7%  pme mesh/force 0.708
           Step           Time
      229355000   458710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15637e+03    1.94348e+04    1.29877e+04    1.24463e+03   -3.05929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82072e+03    9.28825e+04    4.00364e+05   -2.34258e+04   -2.97792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62493e+04   -2.44827e+06    4.78086e+05   -1.97018e+06    2.43699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09952e+02   -2.07988e+02    1.31829e+01    6.20774e-06

Writing checkpoint, step 229357200 at Wed Nov  8 02:31:28 2023



DD  step 229359999 load imb.: force 12.4%  pme mesh/force 0.691
           Step           Time
      229360000   458720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30535e+03    1.93362e+04    1.31762e+04    1.18733e+03   -3.02456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83985e+03    9.27745e+04    3.99460e+05   -2.34038e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62553e+04   -2.45100e+06    4.81114e+05   -1.96989e+06    2.43705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11915e+02   -2.07599e+02   -7.30637e+01    6.29939e-06


DD  step 229364999 load imb.: force 10.7%  pme mesh/force 0.694
           Step           Time
      229365000   458730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90877e+03    1.91706e+04    1.32135e+04    1.23350e+03   -2.91483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96727e+03    9.34559e+04    3.97362e+05   -2.33985e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64805e+04   -2.44793e+06    4.80793e+05   -1.96713e+06    2.43710e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11706e+02   -2.07504e+02   -5.97889e+01    6.32669e-06


DD  step 229369999 load imb.: force 12.2%  pme mesh/force 0.714
           Step           Time
      229370000   458740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83783e+03    1.95642e+04    1.31874e+04    1.24168e+03   -3.10899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76152e+03    9.33005e+04    4.00552e+05   -2.33866e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63695e+04   -2.44556e+06    4.81301e+05   -1.96426e+06    2.43716e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12036e+02   -2.07293e+02    3.84257e+01    6.46714e-06


DD  step 229374999 load imb.: force 12.4%  pme mesh/force 0.728
           Step           Time
      229375000   458750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05454e+03    1.92178e+04    1.31650e+04    1.25007e+03   -3.12618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75023e+03    9.34508e+04    3.99942e+05   -2.33598e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67671e+04   -2.44557e+06    4.79882e+05   -1.96569e+06    2.43722e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11116e+02   -2.06820e+02   -1.21671e+01    6.25254e-06


DD  step 229379999 load imb.: force 12.0%  pme mesh/force 0.683
           Step           Time
      229380000   458760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15497e+03    1.93288e+04    1.30477e+04    1.18162e+03   -3.13949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88860e+03    9.37138e+04    3.99811e+05   -2.33921e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63037e+04   -2.44758e+06    4.80163e+05   -1.96742e+06    2.43728e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11298e+02   -2.07390e+02   -1.39483e+01    6.53250e-06


DD  step 229384999 load imb.: force 12.3%  pme mesh/force 0.756
           Step           Time
      229385000   458770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93578e+03    1.92561e+04    1.30205e+04    1.11607e+03   -3.11917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90783e+03    9.33878e+04    3.99978e+05   -2.33929e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65811e+04   -2.44682e+06    4.80039e+05   -1.96678e+06    2.43734e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.07405e+02    4.60978e+01    6.25281e-06


DD  step 229389999 load imb.: force 10.4%  pme mesh/force 0.712
           Step           Time
      229390000   458780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71475e+03    1.91374e+04    1.30011e+04    1.17838e+03   -2.99228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80348e+03    9.35959e+04    4.02487e+05   -2.33526e+04   -2.97974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65323e+04   -2.44763e+06    4.77068e+05   -1.97056e+06    2.43739e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09292e+02   -2.06692e+02    4.27422e+00    6.09525e-06


DD  step 229394999 load imb.: force  9.7%  pme mesh/force 0.675
           Step           Time
      229395000   458790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84506e+03    1.89778e+04    1.31097e+04    1.19592e+03   -3.04233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91719e+03    9.35838e+04    4.01611e+05   -2.33791e+04   -2.98037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65103e+04   -2.44904e+06    4.77811e+05   -1.97123e+06    2.43745e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09773e+02   -2.07160e+02    6.61474e+01    6.19448e-06


DD  step 229399999 load imb.: force 12.0%  pme mesh/force 0.704
           Step           Time
      229400000   458800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00475e+03    1.98160e+04    1.31197e+04    1.09222e+03   -3.10618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76146e+03    9.30106e+04    3.97825e+05   -2.33507e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64156e+04   -2.44708e+06    4.80106e+05   -1.96697e+06    2.43751e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11261e+02   -2.06659e+02   -8.73299e+01    6.34113e-06


DD  step 229404999 load imb.: force 12.8%  pme mesh/force 0.740
           Step           Time
      229405000   458810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01537e+03    1.92918e+04    1.30737e+04    1.17319e+03   -3.20472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.06595e+03    9.34545e+04    4.02225e+05   -2.33798e+04   -2.98039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64118e+04   -2.44826e+06    4.79186e+05   -1.96908e+06    2.43757e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10665e+02   -2.07174e+02    5.58569e+01    6.28817e-06


DD  step 229409999 load imb.: force 11.8%  pme mesh/force 0.721
           Step           Time
      229410000   458820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88856e+03    1.92564e+04    1.31664e+04    1.18223e+03   -3.06809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89148e+03    9.34471e+04    4.00467e+05   -2.33604e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65200e+04   -2.44789e+06    4.80584e+05   -1.96731e+06    2.43762e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11571e+02   -2.06831e+02    3.49513e+00    6.39499e-06


DD  step 229414999 load imb.: force 14.6%  pme mesh/force 0.773
           Step           Time
      229415000   458830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90064e+03    1.92243e+04    1.31569e+04    1.15791e+03   -3.12184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81706e+03    9.31251e+04    3.99646e+05   -2.33511e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65155e+04   -2.44758e+06    4.78124e+05   -1.96946e+06    2.43768e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09976e+02   -2.06665e+02   -3.47906e+01    6.30715e-06


DD  step 229419999 load imb.: force 10.9%  pme mesh/force 0.703
           Step           Time
      229420000   458840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73924e+03    1.95312e+04    1.31745e+04    1.16135e+03   -3.07478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85535e+03    9.34093e+04    4.00112e+05   -2.33846e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64568e+04   -2.44926e+06    4.80430e+05   -1.96883e+06    2.43773e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11471e+02   -2.07258e+02   -2.85768e+01    6.22472e-06


DD  step 229424999 load imb.: force 10.5%  pme mesh/force 0.666
           Step           Time
      229425000   458850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22696e+03    1.94269e+04    1.29279e+04    1.12131e+03   -2.99505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76785e+03    9.32276e+04    3.99851e+05   -2.33712e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66526e+04   -2.44695e+06    4.79891e+05   -1.96706e+06    2.43779e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11122e+02   -2.07022e+02   -2.43134e+01    6.10506e-06


DD  step 229429999 load imb.: force 11.3%  pme mesh/force 0.710
           Step           Time
      229430000   458860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01451e+03    1.95005e+04    1.32669e+04    1.17672e+03   -3.02258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83835e+03    9.34491e+04    4.01139e+05   -2.34042e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65163e+04   -2.44742e+06    4.79438e+05   -1.96799e+06    2.43786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.07605e+02    5.58426e+01    6.11557e-06


DD  step 229434999 load imb.: force 11.6%  pme mesh/force 0.705
           Step           Time
      229435000   458870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91283e+03    1.90883e+04    1.29639e+04    1.18001e+03   -3.10879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78487e+03    9.35564e+04    3.99027e+05   -2.33876e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66273e+04   -2.44804e+06    4.78302e+05   -1.96974e+06    2.43791e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10092e+02   -2.07312e+02   -7.90373e+01    6.12922e-06


DD  step 229439999 load imb.: force 11.4%  pme mesh/force 0.710
           Step           Time
      229440000   458880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07745e+03    1.95462e+04    1.31497e+04    1.18014e+03   -3.20804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85104e+03    9.33588e+04    4.02524e+05   -2.33963e+04   -2.98123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64232e+04   -2.44872e+06    4.81972e+05   -1.96675e+06    2.43797e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12471e+02   -2.07465e+02    5.75707e+01    6.15139e-06


DD  step 229444999 load imb.: force 12.7%  pme mesh/force 0.738
           Step           Time
      229445000   458890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02329e+03    1.93796e+04    1.32510e+04    1.21876e+03   -3.13263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81667e+03    9.29880e+04    4.02296e+05   -2.33994e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65104e+04   -2.44573e+06    4.79493e+05   -1.96624e+06    2.43803e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.07520e+02    7.47644e+01    6.27264e-06


DD  step 229449999 load imb.: force 11.8%  pme mesh/force 0.713
           Step           Time
      229450000   458900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25420e+03    1.96263e+04    1.31806e+04    1.07088e+03   -3.12696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74437e+03    9.29408e+04    4.03915e+05   -2.33847e+04   -2.98368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66282e+04   -2.44983e+06    4.80643e+05   -1.96918e+06    2.43809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11610e+02   -2.07259e+02    2.76750e+01    6.17794e-06


DD  step 229454999 load imb.: force 12.2%  pme mesh/force 0.754
           Step           Time
      229455000   458910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04115e+03    1.95607e+04    1.31802e+04    1.20504e+03   -3.13277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86002e+03    9.26146e+04    4.00596e+05   -2.33751e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62800e+04   -2.44547e+06    4.77391e+05   -1.96808e+06    2.43815e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09501e+02   -2.07090e+02   -4.08538e+01    6.12189e-06


DD  step 229459999 load imb.: force 12.6%  pme mesh/force 0.725
           Step           Time
      229460000   458920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00698e+03    1.94485e+04    1.32576e+04    1.21242e+03   -3.12546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81737e+03    9.26537e+04    4.03028e+05   -2.33917e+04   -2.98017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63286e+04   -2.44794e+06    4.80166e+05   -1.96777e+06    2.43820e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11300e+02   -2.07383e+02    3.61835e+01    6.11698e-06


DD  step 229464999 load imb.: force 14.6%  pme mesh/force 0.785
           Step           Time
      229465000   458930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92807e+03    1.95812e+04    1.31820e+04    1.11709e+03   -3.08584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64991e+03    9.26752e+04    3.99871e+05   -2.33832e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64906e+04   -2.44746e+06    4.78464e+05   -1.96899e+06    2.43826e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10197e+02   -2.07234e+02   -7.65887e+01    6.38667e-06


DD  step 229469999 load imb.: force 12.0%  pme mesh/force 0.749
           Step           Time
      229470000   458940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01118e+03    1.93231e+04    1.31470e+04    1.22107e+03   -3.07073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77508e+03    9.22540e+04    4.00154e+05   -2.34061e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65103e+04   -2.44837e+06    4.78147e+05   -1.97022e+06    2.43832e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09991e+02   -2.07640e+02    1.37823e+01    6.29858e-06


DD  step 229474999 load imb.: force 15.5%  pme mesh/force 0.738
           Step           Time
      229475000   458950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88095e+03    1.95366e+04    1.32438e+04    1.20490e+03   -3.14001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72693e+03    9.32692e+04    4.01671e+05   -2.33984e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66447e+04   -2.44593e+06    4.80629e+05   -1.96530e+06    2.43838e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11600e+02   -2.07503e+02    3.66341e+01    6.21890e-06


DD  step 229479999 load imb.: force 13.1%  pme mesh/force 0.722
           Step           Time
      229480000   458960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97404e+03    1.93349e+04    1.30979e+04    1.10684e+03   -3.10899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89755e+03    9.29093e+04    4.02124e+05   -2.33274e+04   -2.97966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64951e+04   -2.44816e+06    4.78537e+05   -1.96962e+06    2.43843e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10244e+02   -2.06247e+02   -2.34739e+01    6.27766e-06


DD  step 229484999 load imb.: force 14.9%  pme mesh/force 0.766
           Step           Time
      229485000   458970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97887e+03    1.92387e+04    1.31859e+04    1.28378e+03   -3.18344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88662e+03    9.36616e+04    4.01232e+05   -2.33690e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67146e+04   -2.44514e+06    4.80575e+05   -1.96457e+06    2.43849e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11565e+02   -2.06983e+02    4.74535e+01    6.19751e-06


DD  step 229489999 load imb.: force 13.5%  pme mesh/force 0.719
           Step           Time
      229490000   458980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01495e+03    1.99531e+04    1.31177e+04    1.23750e+03   -3.14388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78424e+03    9.36822e+04    3.98654e+05   -2.33581e+04   -2.97336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65014e+04   -2.44392e+06    4.81493e+05   -1.96243e+06    2.43855e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12161e+02   -2.06789e+02   -5.58969e+01    6.32818e-06


DD  step 229494999 load imb.: force 10.9%  pme mesh/force 0.692
           Step           Time
      229495000   458990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93907e+03    1.93513e+04    1.30403e+04    1.16417e+03   -3.12900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87969e+03    9.35896e+04    4.02517e+05   -2.34182e+04   -2.97958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65596e+04   -2.44708e+06    4.80964e+05   -1.96612e+06    2.43860e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11818e+02   -2.07854e+02    1.08577e+02    6.14270e-06


DD  step 229499999 load imb.: force 12.0%  pme mesh/force 0.711
           Step           Time
      229500000   459000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01800e+03    1.98090e+04    1.31918e+04    1.15934e+03   -3.13617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75676e+03    9.27503e+04    4.01041e+05   -2.33818e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63954e+04   -2.44664e+06    4.79939e+05   -1.96670e+06    2.43866e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.07209e+02    1.74455e+01    6.04884e-06


DD  step 229504999 load imb.: force 12.9%  pme mesh/force 0.726
           Step           Time
      229505000   459010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97257e+03    1.93306e+04    1.32475e+04    1.19982e+03   -3.06348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93940e+03    9.35021e+04    4.01575e+05   -2.34213e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63203e+04   -2.44711e+06    4.78734e+05   -1.96838e+06    2.43872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.07909e+02    3.78236e+01    6.27821e-06


DD  step 229509999 load imb.: force 13.0%  pme mesh/force 0.703
           Step           Time
      229510000   459020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67306e+03    1.95324e+04    1.31490e+04    1.20236e+03   -3.09515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86165e+03    9.35190e+04    3.97815e+05   -2.34402e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63384e+04   -2.44924e+06    4.78738e+05   -1.97050e+06    2.43878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10375e+02   -2.08244e+02   -2.69292e+01    6.35564e-06


DD  step 229514999 load imb.: force 12.0%  pme mesh/force 0.718
           Step           Time
      229515000   459030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92610e+03    1.92443e+04    1.29612e+04    1.20458e+03   -3.14229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80712e+03    9.32893e+04    4.01144e+05   -2.34245e+04   -2.97848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62065e+04   -2.44826e+06    4.80218e+05   -1.96805e+06    2.43884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11334e+02   -2.07966e+02    5.98153e+01    6.36973e-06


DD  step 229519999 load imb.: force 12.7%  pme mesh/force 0.704
           Step           Time
      229520000   459040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87361e+03    1.95141e+04    1.30643e+04    1.18248e+03   -3.14022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77043e+03    9.30077e+04    3.98389e+05   -2.33772e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64202e+04   -2.44815e+06    4.79798e+05   -1.96835e+06    2.43889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.07128e+02   -6.87189e+01    6.22640e-06


DD  step 229524999 load imb.: force 13.9%  pme mesh/force 0.720
           Step           Time
      229525000   459050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85767e+03    1.95793e+04    1.31230e+04    1.22052e+03   -3.06120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78515e+03    9.36795e+04    4.01915e+05   -2.34018e+04   -2.98208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65684e+04   -2.44982e+06    4.77472e+05   -1.97235e+06    2.43895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09554e+02   -2.07562e+02    4.09736e+01    6.24944e-06


DD  step 229529999 load imb.: force 13.2%  pme mesh/force 0.735
           Step           Time
      229530000   459060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95279e+03    1.97185e+04    1.32625e+04    1.30686e+03   -3.05020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79323e+03    9.32971e+04    4.01668e+05   -2.33701e+04   -2.97678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65186e+04   -2.44468e+06    4.80463e+05   -1.96422e+06    2.43901e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11493e+02   -2.07002e+02    7.33012e+01    6.32393e-06


DD  step 229534999 load imb.: force 11.9%  pme mesh/force 0.715
           Step           Time
      229535000   459070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03794e+03    1.99746e+04    1.32054e+04    1.22159e+03   -3.16978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89775e+03    9.32754e+04    3.97122e+05   -2.33701e+04   -2.97184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65435e+04   -2.44410e+06    4.80109e+05   -1.96399e+06    2.43907e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.07002e+02   -5.06446e+01    6.24095e-06


DD  step 229539999 load imb.: force 11.9%  pme mesh/force 0.722
           Step           Time
      229540000   459080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95146e+03    1.93632e+04    1.29499e+04    1.18854e+03   -3.04739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84389e+03    9.35482e+04    3.99354e+05   -2.33563e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65475e+04   -2.44737e+06    4.77537e+05   -1.96984e+06    2.43912e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09596e+02   -2.06758e+02   -7.71620e+01    6.30214e-06


DD  step 229544999 load imb.: force 12.3%  pme mesh/force 0.720
           Step           Time
      229545000   459090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93073e+03    1.97062e+04    1.29794e+04    1.22271e+03   -2.98472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73907e+03    9.32288e+04    4.02174e+05   -2.34512e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63456e+04   -2.44844e+06    4.81508e+05   -1.96693e+06    2.43918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12171e+02   -2.08439e+02    6.78478e+01    6.28331e-06


DD  step 229549999 load imb.: force 12.7%  pme mesh/force 0.726
           Step           Time
      229550000   459100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09218e+03    1.91957e+04    1.32178e+04    1.17126e+03   -2.95841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80549e+03    9.32507e+04    3.99214e+05   -2.33606e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67340e+04   -2.44458e+06    4.80223e+05   -1.96435e+06    2.43924e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.06834e+02   -1.52896e+01    6.05228e-06


DD  step 229554999 load imb.: force 13.6%  pme mesh/force 0.690
           Step           Time
      229555000   459110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00034e+03    1.92792e+04    1.32544e+04    1.08923e+03   -3.04791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70689e+03    9.38881e+04    4.01874e+05   -2.33524e+04   -2.97931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65047e+04   -2.44712e+06    4.79482e+05   -1.96764e+06    2.43930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.06689e+02    1.06937e+01    6.20405e-06


DD  step 229559999 load imb.: force 11.7%  pme mesh/force 0.719
           Step           Time
      229560000   459120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14302e+03    1.95999e+04    1.30969e+04    1.22524e+03   -3.08987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73154e+03    9.33429e+04    4.00898e+05   -2.33523e+04   -2.97559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66201e+04   -2.44438e+06    4.79332e+05   -1.96505e+06    2.43936e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.06687e+02    1.94412e+01    6.20543e-06


DD  step 229564999 load imb.: force 12.7%  pme mesh/force 0.722
           Step           Time
      229565000   459130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98701e+03    1.92364e+04    1.31122e+04    1.16438e+03   -3.09860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92645e+03    9.38267e+04    4.00556e+05   -2.33968e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65083e+04   -2.44852e+06    4.81978e+05   -1.96654e+06    2.43942e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12475e+02   -2.07475e+02    5.63463e+01    6.36600e-06


DD  step 229569999 load imb.: force 12.3%  pme mesh/force 0.724
           Step           Time
      229570000   459140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07426e+03    1.92916e+04    1.30801e+04    1.12065e+03   -3.01457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77635e+03    9.34534e+04    3.95327e+05   -2.33608e+04   -2.97149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63178e+04   -2.44643e+06    4.79015e+05   -1.96741e+06    2.43947e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10554e+02   -2.06838e+02   -1.60518e+02    6.44308e-06


DD  step 229574999 load imb.: force 12.2%  pme mesh/force 0.707
           Step           Time
      229575000   459150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84640e+03    1.94607e+04    1.29899e+04    1.21204e+03   -3.12087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78163e+03    9.37534e+04    3.97368e+05   -2.33497e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65604e+04   -2.44770e+06    4.80154e+05   -1.96754e+06    2.43953e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11293e+02   -2.06641e+02   -8.99115e+01    6.24094e-06


DD  step 229579999 load imb.: force 13.6%  pme mesh/force 0.765
           Step           Time
      229580000   459160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95076e+03    1.92956e+04    1.32349e+04    1.18217e+03   -3.06509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92719e+03    9.33196e+04    3.99873e+05   -2.33988e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63696e+04   -2.44868e+06    4.79826e+05   -1.96886e+06    2.43959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11080e+02   -2.07510e+02   -5.57419e-01    6.11525e-06


DD  step 229584999 load imb.: force 15.3%  pme mesh/force 0.740
           Step           Time
      229585000   459170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.43317e+03    1.93702e+04    1.33164e+04    1.09951e+03   -3.15419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71696e+03    9.31139e+04    4.01038e+05   -2.33730e+04   -2.97885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64888e+04   -2.44780e+06    4.80474e+05   -1.96733e+06    2.43965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11500e+02   -2.07054e+02   -7.02968e+01    6.39560e-06


DD  step 229589999 load imb.: force 13.5%  pme mesh/force 0.737
           Step           Time
      229590000   459180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18458e+03    1.95216e+04    1.31278e+04    1.23900e+03   -3.08408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96081e+03    9.33175e+04    4.00722e+05   -2.34172e+04   -2.97761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63883e+04   -2.44665e+06    4.79954e+05   -1.96670e+06    2.43971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.07836e+02    6.04527e+01    6.15006e-06


DD  step 229594999 load imb.: force 13.2%  pme mesh/force 0.723
           Step           Time
      229595000   459190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01560e+03    1.90949e+04    1.32979e+04    1.18921e+03   -3.07134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71100e+03    9.30631e+04    4.01011e+05   -2.34030e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65027e+04   -2.44541e+06    4.78127e+05   -1.96729e+06    2.43976e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09978e+02   -2.07585e+02   -1.37054e-01    6.18606e-06


DD  step 229599999 load imb.: force 13.7%  pme mesh/force 0.742
           Step           Time
      229600000   459200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99223e+03    1.94047e+04    1.31481e+04    1.26239e+03   -3.04025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90172e+03    9.35047e+04    4.00533e+05   -2.33812e+04   -2.97732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64758e+04   -2.44652e+06    4.81181e+05   -1.96533e+06    2.43982e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11959e+02   -2.07198e+02    4.99961e+01    6.20851e-06


DD  step 229604999 load imb.: force 14.3%  pme mesh/force 0.719
           Step           Time
      229605000   459210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99925e+03    1.92972e+04    1.32734e+04    1.16961e+03   -2.95306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92071e+03    9.26809e+04    4.01630e+05   -2.34218e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63118e+04   -2.44780e+06    4.79213e+05   -1.96858e+06    2.43988e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.07917e+02    6.55053e+01    6.16159e-06


DD  step 229609999 load imb.: force 15.3%  pme mesh/force 0.731
           Step           Time
      229610000   459220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30567e+03    1.95125e+04    1.30355e+04    1.12923e+03   -3.10689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77720e+03    9.29552e+04    4.02678e+05   -2.34348e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65368e+04   -2.44635e+06    4.80281e+05   -1.96607e+06    2.43994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.08147e+02    7.76512e+01    6.25468e-06


DD  step 229614999 load imb.: force 12.8%  pme mesh/force 0.709
           Step           Time
      229615000   459230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69364e+03    1.94696e+04    1.30573e+04    1.20897e+03   -3.04110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84123e+03    9.31487e+04    4.02018e+05   -2.34137e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62457e+04   -2.44910e+06    4.77409e+05   -1.97170e+06    2.44000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09513e+02   -2.07775e+02    7.02873e+01    6.34568e-06


DD  step 229619999 load imb.: force 14.8%  pme mesh/force 0.746
           Step           Time
      229620000   459240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95874e+03    1.95452e+04    1.33385e+04    1.19609e+03   -3.08901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92974e+03    9.32246e+04    4.00742e+05   -2.33595e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64851e+04   -2.44585e+06    4.78603e+05   -1.96725e+06    2.44006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.06814e+02    5.54259e+01    6.11765e-06


DD  step 229624999 load imb.: force 14.4%  pme mesh/force 0.718
           Step           Time
      229625000   459250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84264e+03    1.93466e+04    1.33143e+04    1.17335e+03   -3.07832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96141e+03    9.32536e+04    3.97876e+05   -2.34079e+04   -2.97265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64988e+04   -2.44487e+06    4.80654e+05   -1.96421e+06    2.44011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11616e+02   -2.07671e+02    1.07936e+01    6.13309e-06


DD  step 229629999 load imb.: force 15.1%  pme mesh/force 0.751
           Step           Time
      229630000   459260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09612e+03    1.97193e+04    1.30569e+04    1.18850e+03   -3.05286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78588e+03    9.28495e+04    3.98716e+05   -2.33835e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66525e+04   -2.44507e+06    4.78756e+05   -1.96631e+06    2.44017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.07239e+02   -2.85275e+01    6.26182e-06


DD  step 229634999 load imb.: force 13.1%  pme mesh/force 0.719
           Step           Time
      229635000   459270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92324e+03    1.98739e+04    1.30979e+04    1.12646e+03   -3.12761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86277e+03    9.28439e+04    4.01227e+05   -2.34309e+04   -2.98141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65076e+04   -2.45050e+06    4.78929e+05   -1.97157e+06    2.44023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10498e+02   -2.08079e+02    8.63585e+00    6.11792e-06


DD  step 229639999 load imb.: force 15.5%  pme mesh/force 0.730
           Step           Time
      229640000   459280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99435e+03    1.97993e+04    1.31653e+04    1.13379e+03   -3.09435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74230e+03    9.26942e+04    3.99838e+05   -2.33571e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65040e+04   -2.44841e+06    4.78975e+05   -1.96944e+06    2.44029e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10528e+02   -2.06772e+02   -7.22566e+01    6.20438e-06


DD  step 229644999 load imb.: force 14.5%  pme mesh/force 0.728
           Step           Time
      229645000   459290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90225e+03    1.93533e+04    1.30952e+04    1.18304e+03   -3.17004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76101e+03    9.29352e+04    3.98170e+05   -2.34011e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65589e+04   -2.44867e+06    4.78373e+05   -1.97030e+06    2.44035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10138e+02   -2.07551e+02   -5.42325e+01    5.97103e-06


DD  step 229649999 load imb.: force 14.5%  pme mesh/force 0.725
           Step           Time
      229650000   459300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96061e+03    1.91964e+04    1.30510e+04    1.28613e+03   -3.17729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79997e+03    9.28295e+04    4.03490e+05   -2.34133e+04   -2.98149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64701e+04   -2.44899e+06    4.77261e+05   -1.97173e+06    2.44040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09417e+02   -2.07766e+02    1.28336e+02    6.03275e-06


DD  step 229654999 load imb.: force 12.8%  pme mesh/force 0.707
           Step           Time
      229655000   459310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05157e+03    1.97010e+04    1.34296e+04    1.18938e+03   -3.14361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82248e+03    9.31871e+04    3.99137e+05   -2.33378e+04   -2.97304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66037e+04   -2.44340e+06    4.81699e+05   -1.96170e+06    2.44046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12294e+02   -2.06430e+02   -5.42802e+01    6.16082e-06


DD  step 229659999 load imb.: force 16.2%  pme mesh/force 0.742
           Step           Time
      229660000   459320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21810e+03    1.95147e+04    1.31483e+04    1.16644e+03   -3.11742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78276e+03    9.26721e+04    4.00058e+05   -2.33951e+04   -2.97508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67549e+04   -2.44527e+06    4.80711e+05   -1.96456e+06    2.44052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11654e+02   -2.07443e+02   -2.60127e+00    6.14681e-06


DD  step 229664999 load imb.: force 13.5%  pme mesh/force 0.691
           Step           Time
      229665000   459330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99528e+03    1.97414e+04    1.31349e+04    1.18329e+03   -3.11824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74879e+03    9.25429e+04    4.02811e+05   -2.34176e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64541e+04   -2.44634e+06    4.79596e+05   -1.96674e+06    2.44058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.07844e+02    7.53134e+01    6.20328e-06


DD  step 229669999 load imb.: force 14.9%  pme mesh/force 0.741
           Step           Time
      229670000   459340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11941e+03    1.90576e+04    1.31204e+04    1.09931e+03   -3.01604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89513e+03    9.30721e+04    3.99858e+05   -2.33871e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63924e+04   -2.44767e+06    4.79422e+05   -1.96825e+06    2.44063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.07303e+02   -4.47649e+00    6.20844e-06


DD  step 229674999 load imb.: force 17.9%  pme mesh/force 0.736
           Step           Time
      229675000   459350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88095e+03    1.91786e+04    1.31353e+04    1.18178e+03   -3.01936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83660e+03    9.28931e+04    4.00206e+05   -2.33726e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64312e+04   -2.44765e+06    4.79413e+05   -1.96823e+06    2.44069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10812e+02   -2.07046e+02   -7.91693e+00    6.06998e-06


DD  step 229679999 load imb.: force 13.7%  pme mesh/force 0.716
           Step           Time
      229680000   459360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22147e+03    1.89393e+04    1.32334e+04    1.13927e+03   -2.99125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99067e+03    9.28110e+04    4.03006e+05   -2.34430e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64587e+04   -2.44774e+06    4.81995e+05   -1.96574e+06    2.44075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12486e+02   -2.08294e+02    1.13368e+02    6.15998e-06


DD  step 229684999 load imb.: force 17.8%  pme mesh/force 0.769
           Step           Time
      229685000   459370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05195e+03    1.94950e+04    1.33223e+04    1.20811e+03   -3.08608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87380e+03    9.29108e+04    3.99708e+05   -2.34016e+04   -2.97351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65600e+04   -2.44387e+06    4.78641e+05   -1.96523e+06    2.44081e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.07560e+02    9.06557e+00    6.09163e-06


DD  step 229689999 load imb.: force 13.8%  pme mesh/force 0.708
           Step           Time
      229690000   459380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01606e+03    1.95483e+04    1.32408e+04    1.27103e+03   -3.19014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88097e+03    9.29696e+04    3.97282e+05   -2.33783e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66973e+04   -2.44668e+06    4.79539e+05   -1.96715e+06    2.44086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.07148e+02   -4.71218e+01    6.16835e-06


DD  step 229694999 load imb.: force 15.5%  pme mesh/force 0.754
           Step           Time
      229695000   459390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64681e+03    1.93983e+04    1.31230e+04    1.13974e+03   -3.14869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97951e+03    9.36168e+04    3.98124e+05   -2.34240e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64703e+04   -2.44799e+06    4.80208e+05   -1.96778e+06    2.44092e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11327e+02   -2.07957e+02   -1.52579e+01    6.21583e-06


DD  step 229699999 load imb.: force 14.2%  pme mesh/force 0.727
           Step           Time
      229700000   459400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91306e+03    1.93158e+04    1.30431e+04    1.18107e+03   -2.97538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98740e+03    9.29267e+04    3.97974e+05   -2.33868e+04   -2.97316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66451e+04   -2.44553e+06    4.81089e+05   -1.96445e+06    2.44098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11899e+02   -2.07297e+02   -1.99419e+01    6.11571e-06

Writing checkpoint, step 229701700 at Wed Nov  8 02:46:28 2023



DD  step 229704999 load imb.: force 14.7%  pme mesh/force 0.726
           Step           Time
      229705000   459410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05884e+03    1.95600e+04    1.31014e+04    1.18307e+03   -3.17489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86240e+03    9.23853e+04    3.97850e+05   -2.33925e+04   -2.97212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65538e+04   -2.44513e+06    4.78813e+05   -1.96632e+06    2.44104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10423e+02   -2.07399e+02   -1.32603e+01    6.10347e-06


DD  step 229709999 load imb.: force 14.8%  pme mesh/force 0.744
           Step           Time
      229710000   459420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03948e+03    1.95063e+04    1.30396e+04    1.17621e+03   -3.02628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84832e+03    9.25736e+04    3.99903e+05   -2.33586e+04   -2.97234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65056e+04   -2.44313e+06    4.82228e+05   -1.96090e+06    2.44109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12637e+02   -2.06798e+02    2.88653e+01    6.06291e-06


DD  step 229714999 load imb.: force 13.8%  pme mesh/force 0.687
           Step           Time
      229715000   459430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13477e+03    1.91344e+04    1.30097e+04    1.09478e+03   -3.05512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83354e+03    9.29366e+04    3.98688e+05   -2.33886e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63330e+04   -2.44902e+06    4.77783e+05   -1.97123e+06    2.44115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09755e+02   -2.07329e+02   -8.58822e+01    6.14873e-06


DD  step 229719999 load imb.: force 13.7%  pme mesh/force 0.695
           Step           Time
      229720000   459440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95735e+03    1.93428e+04    1.32095e+04    1.15406e+03   -3.05310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83899e+03    9.30939e+04    3.99158e+05   -2.34293e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64165e+04   -2.44710e+06    4.80708e+05   -1.96640e+06    2.44121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11652e+02   -2.08051e+02    4.42623e+01    6.06139e-06


DD  step 229724999 load imb.: force 13.9%  pme mesh/force 0.697
           Step           Time
      229725000   459450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23175e+03    1.95813e+04    1.30195e+04    1.17095e+03   -2.96792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78996e+03    9.26812e+04    3.97335e+05   -2.33482e+04   -2.97186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66132e+04   -2.44475e+06    4.80711e+05   -1.96404e+06    2.44127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11654e+02   -2.06614e+02   -7.35755e+01    6.21475e-06


DD  step 229729999 load imb.: force 12.7%  pme mesh/force 0.686
           Step           Time
      229730000   459460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05911e+03    1.94229e+04    1.29646e+04    1.14010e+03   -3.06726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88763e+03    9.29340e+04    4.03931e+05   -2.34330e+04   -2.98153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64996e+04   -2.44819e+06    4.79926e+05   -1.96826e+06    2.44133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11145e+02   -2.08117e+02    1.59152e+02    6.22210e-06


DD  step 229734999 load imb.: force 12.3%  pme mesh/force 0.718
           Step           Time
      229735000   459470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75225e+03    1.94680e+04    1.31701e+04    1.24738e+03   -3.13536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79670e+03    9.32593e+04    4.03323e+05   -2.34039e+04   -2.98285e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62136e+04   -2.45016e+06    4.76910e+05   -1.97325e+06    2.44139e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09190e+02   -2.07601e+02    5.76253e+01    6.06707e-06


DD  step 229739999 load imb.: force 13.2%  pme mesh/force 0.716
           Step           Time
      229740000   459480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86892e+03    1.94957e+04    1.30566e+04    1.14706e+03   -3.06196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73324e+03    9.30125e+04    4.00990e+05   -2.34281e+04   -2.97988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63550e+04   -2.44972e+06    4.78696e+05   -1.97102e+06    2.44145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10347e+02   -2.08029e+02   -7.62883e+00    6.17590e-06


DD  step 229744999 load imb.: force 13.0%  pme mesh/force 0.692
           Step           Time
      229745000   459490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09778e+03    1.91266e+04    1.30949e+04    1.17965e+03   -3.22291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80245e+03    9.31919e+04    4.02649e+05   -2.33800e+04   -2.98092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64896e+04   -2.44890e+06    4.80195e+05   -1.96870e+06    2.44150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11319e+02   -2.07178e+02    4.69037e+01    5.97526e-06


DD  step 229749999 load imb.: force 14.9%  pme mesh/force 0.721
           Step           Time
      229750000   459500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06194e+03    1.91267e+04    1.31858e+04    1.22814e+03   -3.16596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74519e+03    9.35555e+04    4.02574e+05   -2.33734e+04   -2.97989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67062e+04   -2.44724e+06    4.79394e+05   -1.96785e+06    2.44156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.07060e+02    5.12818e+01    6.16581e-06


DD  step 229754999 load imb.: force 13.4%  pme mesh/force 0.719
           Step           Time
      229755000   459510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19026e+03    1.95151e+04    1.32413e+04    1.25077e+03   -3.03166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79972e+03    9.31995e+04    4.03467e+05   -2.34117e+04   -2.98084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64272e+04   -2.44719e+06    4.81059e+05   -1.96613e+06    2.44162e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11879e+02   -2.07738e+02    8.26212e+01    6.19546e-06


DD  step 229759999 load imb.: force 12.4%  pme mesh/force 0.732
           Step           Time
      229760000   459520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07145e+03    1.94184e+04    1.31257e+04    1.14265e+03   -3.04117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72677e+03    9.34976e+04    3.97318e+05   -2.33859e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63236e+04   -2.44946e+06    4.78873e+05   -1.97059e+06    2.44168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10462e+02   -2.07281e+02   -8.57324e+01    6.20568e-06


DD  step 229764999 load imb.: force 12.4%  pme mesh/force 0.713
           Step           Time
      229765000   459530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75749e+03    1.93802e+04    1.32109e+04    1.13544e+03   -3.14506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78398e+03    9.32041e+04    4.00475e+05   -2.33612e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65578e+04   -2.44742e+06    4.78478e+05   -1.96894e+06    2.44173e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10206e+02   -2.06844e+02   -1.58987e+01    6.15598e-06


DD  step 229769999 load imb.: force 12.6%  pme mesh/force 0.712
           Step           Time
      229770000   459540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12702e+03    1.89434e+04    1.30749e+04    1.19749e+03   -2.99774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76280e+03    9.30874e+04    4.01446e+05   -2.33412e+04   -2.97964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65080e+04   -2.44883e+06    4.80686e+05   -1.96814e+06    2.44179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11637e+02   -2.06491e+02   -3.53940e+00    6.04029e-06


DD  step 229774999 load imb.: force 13.8%  pme mesh/force 0.700
           Step           Time
      229775000   459550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96544e+03    1.94585e+04    1.30964e+04    1.18008e+03   -3.10764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76895e+03    9.34630e+04    4.02134e+05   -2.34150e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65752e+04   -2.44731e+06    4.80570e+05   -1.96674e+06    2.44185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11562e+02   -2.07797e+02    7.32031e+01    6.30641e-06


DD  step 229779999 load imb.: force 14.0%  pme mesh/force 0.741
           Step           Time
      229780000   459560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98022e+03    1.94176e+04    1.30853e+04    1.18056e+03   -3.10633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82686e+03    9.30629e+04    3.98001e+05   -2.33230e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64677e+04   -2.44852e+06    4.80621e+05   -1.96790e+06    2.44191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11595e+02   -2.06169e+02   -1.15420e+02    6.25878e-06


DD  step 229784999 load imb.: force 12.6%  pme mesh/force 0.716
           Step           Time
      229785000   459570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98699e+03    1.92714e+04    1.33118e+04    1.22363e+03   -3.18501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80213e+03    9.28308e+04    4.00643e+05   -2.33909e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65267e+04   -2.44871e+06    4.77092e+05   -1.97162e+06    2.44197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09307e+02   -2.07370e+02   -3.13964e+01    6.11673e-06


DD  step 229789999 load imb.: force 15.9%  pme mesh/force 0.741
           Step           Time
      229790000   459580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25676e+03    1.97111e+04    1.33524e+04    1.08064e+03   -3.14850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85845e+03    9.31021e+04    3.99384e+05   -2.33495e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63599e+04   -2.44477e+06    4.81705e+05   -1.96307e+06    2.44203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12298e+02   -2.06637e+02    4.91391e+00    6.01657e-06


DD  step 229794999 load imb.: force 15.3%  pme mesh/force 0.753
           Step           Time
      229795000   459590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97968e+03    1.90376e+04    1.32155e+04    1.24235e+03   -3.12536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90980e+03    9.35667e+04    4.00860e+05   -2.33807e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63945e+04   -2.44428e+06    4.79597e+05   -1.96468e+06    2.44208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07190e+02    3.85349e+01    6.06710e-06


DD  step 229799999 load imb.: force 12.7%  pme mesh/force 0.715
           Step           Time
      229800000   459600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06416e+03    1.97060e+04    1.32460e+04    1.15136e+03   -3.15153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74443e+03    9.25967e+04    3.99298e+05   -2.33471e+04   -2.97323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66732e+04   -2.44425e+06    4.81345e+05   -1.96290e+06    2.44214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.06595e+02   -3.48129e+00    6.11121e-06


DD  step 229804999 load imb.: force 14.4%  pme mesh/force 0.728
           Step           Time
      229805000   459610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06365e+03    1.93434e+04    1.32482e+04    1.16073e+03   -3.05957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83752e+03    9.33593e+04    4.01523e+05   -2.34112e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64407e+04   -2.44653e+06    4.79382e+05   -1.96714e+06    2.44219e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10792e+02   -2.07730e+02    3.44473e+01    6.12712e-06


DD  step 229809999 load imb.: force 13.6%  pme mesh/force 0.704
           Step           Time
      229810000   459620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94004e+03    1.95054e+04    1.31470e+04    1.21043e+03   -3.15981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87413e+03    9.36323e+04    4.02332e+05   -2.33784e+04   -2.98105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61114e+04   -2.44883e+06    4.81080e+05   -1.96775e+06    2.44225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11893e+02   -2.07148e+02    5.28419e+01    6.08560e-06


DD  step 229814999 load imb.: force 14.2%  pme mesh/force 0.705
           Step           Time
      229815000   459630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00290e+03    1.93897e+04    1.32273e+04    1.15103e+03   -3.13421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81195e+03    9.32995e+04    3.99769e+05   -2.33658e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63101e+04   -2.44645e+06    4.81035e+05   -1.96541e+06    2.44231e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11864e+02   -2.06925e+02   -3.35159e+01    6.14799e-06


DD  step 229819999 load imb.: force 12.8%  pme mesh/force 0.737
           Step           Time
      229820000   459640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09380e+03    1.94040e+04    1.29790e+04    1.09822e+03   -3.01288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76154e+03    9.29640e+04    4.02064e+05   -2.34151e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66086e+04   -2.44613e+06    4.78347e+05   -1.96779e+06    2.44237e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10121e+02   -2.07799e+02    4.47349e+01    6.13274e-06


DD  step 229824999 load imb.: force 14.8%  pme mesh/force 0.720
           Step           Time
      229825000   459650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93782e+03    1.97948e+04    1.30286e+04    1.19646e+03   -3.01212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80723e+03    9.24690e+04    3.99982e+05   -2.33515e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65159e+04   -2.44669e+06    4.80188e+05   -1.96650e+06    2.44243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.06673e+02    1.13815e+01    6.21265e-06


DD  step 229829999 load imb.: force 14.6%  pme mesh/force 0.733
           Step           Time
      229830000   459660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12028e+03    1.95434e+04    1.30342e+04    1.15997e+03   -3.07909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76968e+03    9.29563e+04    4.03293e+05   -2.33325e+04   -2.98107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64872e+04   -2.44812e+06    4.80030e+05   -1.96809e+06    2.44249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11212e+02   -2.06337e+02    6.27644e+01    6.10220e-06


DD  step 229834999 load imb.: force 13.0%  pme mesh/force 0.713
           Step           Time
      229835000   459670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11269e+03    1.96265e+04    1.32089e+04    1.15394e+03   -3.14144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86660e+03    9.27004e+04    4.01433e+05   -2.33882e+04   -2.98044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64393e+04   -2.44942e+06    4.79105e+05   -1.97032e+06    2.44255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.07321e+02    2.91259e+01    6.15899e-06


DD  step 229839999 load imb.: force 12.9%  pme mesh/force 0.723
           Step           Time
      229840000   459680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09219e+03    1.88844e+04    1.33113e+04    1.19874e+03   -3.12190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80825e+03    9.29098e+04    4.00978e+05   -2.33970e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66665e+04   -2.44739e+06    4.79132e+05   -1.96825e+06    2.44260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.07478e+02    7.11453e+00    6.10735e-06


DD  step 229844999 load imb.: force 14.1%  pme mesh/force 0.709
           Step           Time
      229845000   459690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12764e+03    1.96666e+04    1.30396e+04    1.14240e+03   -3.12903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83536e+03    9.29469e+04    3.96456e+05   -2.33231e+04   -2.96991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65577e+04   -2.44359e+06    4.80071e+05   -1.96352e+06    2.44265e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11238e+02   -2.06171e+02   -1.26281e+02    6.09839e-06


DD  step 229849999 load imb.: force 14.2%  pme mesh/force 0.721
           Step           Time
      229850000   459700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17470e+03    1.94812e+04    1.31920e+04    1.17893e+03   -3.16633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75425e+03    9.30490e+04    4.02202e+05   -2.33839e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64892e+04   -2.44575e+06    4.79581e+05   -1.96617e+06    2.44271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10921e+02   -2.07246e+02    3.87724e+01    6.11445e-06


DD  step 229854999 load imb.: force 13.6%  pme mesh/force 0.761
           Step           Time
      229855000   459710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23162e+03    1.93023e+04    1.30903e+04    1.21034e+03   -3.09365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78152e+03    9.29837e+04    3.98050e+05   -2.33930e+04   -2.97391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63405e+04   -2.44640e+06    4.80830e+05   -1.96557e+06    2.44277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11730e+02   -2.07407e+02   -3.61041e+01    6.21001e-06


DD  step 229859999 load imb.: force 14.7%  pme mesh/force 0.731
           Step           Time
      229860000   459720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98811e+03    1.93940e+04    1.31650e+04    1.18688e+03   -3.06164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81149e+03    9.28012e+04    3.99775e+05   -2.33830e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65741e+04   -2.44750e+06    4.78998e+05   -1.96850e+06    2.44283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10543e+02   -2.07230e+02   -2.56767e+01    6.03644e-06


DD  step 229864999 load imb.: force 15.1%  pme mesh/force 0.769
           Step           Time
      229865000   459730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00315e+03    1.92698e+04    1.32060e+04    1.15273e+03   -3.11632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65024e+03    9.23240e+04    3.96324e+05   -2.33727e+04   -2.97376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64274e+04   -2.44890e+06    4.78441e+05   -1.97046e+06    2.44289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10182e+02   -2.07048e+02   -1.87780e+02    6.13368e-06


DD  step 229869999 load imb.: force 12.3%  pme mesh/force 0.707
           Step           Time
      229870000   459740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18339e+03    1.94187e+04    1.32099e+04    1.20210e+03   -3.05351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92487e+03    9.30845e+04    3.98479e+05   -2.34049e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65357e+04   -2.44588e+06    4.79091e+05   -1.96679e+06    2.44295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10603e+02   -2.07618e+02   -8.19118e+01    5.91020e-06


DD  step 229874999 load imb.: force 13.5%  pme mesh/force 0.737
           Step           Time
      229875000   459750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02750e+03    1.95741e+04    1.32353e+04    1.17073e+03   -3.01089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80874e+03    9.31562e+04    4.01143e+05   -2.33761e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65404e+04   -2.44687e+06    4.78213e+05   -1.96865e+06    2.44301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10034e+02   -2.07108e+02    5.15610e-01    6.15683e-06


DD  step 229879999 load imb.: force 13.8%  pme mesh/force 0.713
           Step           Time
      229880000   459760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90646e+03    1.89709e+04    1.30842e+04    1.13102e+03   -2.98164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80533e+03    9.32500e+04    4.02419e+05   -2.33796e+04   -2.97966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65294e+04   -2.44793e+06    4.79233e+05   -1.96870e+06    2.44307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10695e+02   -2.07169e+02    5.37544e+01    6.22098e-06


DD  step 229884999 load imb.: force 12.5%  pme mesh/force 0.747
           Step           Time
      229885000   459770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96780e+03    1.90775e+04    1.30948e+04    1.13428e+03   -3.00074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75725e+03    9.29930e+04    3.99618e+05   -2.34196e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66185e+04   -2.44820e+06    4.78721e+05   -1.96948e+06    2.44312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10364e+02   -2.07878e+02   -3.36156e+01    5.96731e-06


DD  step 229889999 load imb.: force 13.5%  pme mesh/force 0.736
           Step           Time
      229890000   459780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86226e+03    1.90281e+04    1.32886e+04    1.24148e+03   -3.12813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79953e+03    9.33818e+04    4.00165e+05   -2.33677e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64401e+04   -2.44922e+06    4.78082e+05   -1.97114e+06    2.44318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09949e+02   -2.06958e+02   -3.32159e+01    6.08166e-06


DD  step 229894999 load imb.: force 14.7%  pme mesh/force 0.738
           Step           Time
      229895000   459790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06464e+03    1.95629e+04    1.30225e+04    1.06251e+03   -3.08301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90892e+03    9.32125e+04    3.96945e+05   -2.33235e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64492e+04   -2.44668e+06    4.81325e+05   -1.96535e+06    2.44323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12051e+02   -2.06178e+02   -1.02082e+02    6.21400e-06


DD  step 229899999 load imb.: force 13.3%  pme mesh/force 0.751
           Step           Time
      229900000   459800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08105e+03    1.93217e+04    1.33693e+04    1.14585e+03   -3.13772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87852e+03    9.27404e+04    3.99528e+05   -2.33974e+04   -2.97260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63034e+04   -2.44377e+06    4.78208e+05   -1.96556e+06    2.44329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10031e+02   -2.07485e+02    3.44473e+01    5.98016e-06


DD  step 229904999 load imb.: force 13.2%  pme mesh/force 0.729
           Step           Time
      229905000   459810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13449e+03    1.93991e+04    1.30596e+04    1.06997e+03   -3.02898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79781e+03    9.25660e+04    3.98961e+05   -2.33522e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68119e+04   -2.44580e+06    4.78712e+05   -1.96708e+06    2.44335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10357e+02   -2.06685e+02   -4.68128e+01    6.23932e-06


DD  step 229909999 load imb.: force 13.0%  pme mesh/force 0.722
           Step           Time
      229910000   459820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86680e+03    1.94100e+04    1.28733e+04    1.10641e+03   -3.04233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83015e+03    9.28328e+04    4.00798e+05   -2.33889e+04   -2.97930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63255e+04   -2.44969e+06    4.78887e+05   -1.97080e+06    2.44340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10471e+02   -2.07334e+02   -3.62598e+01    6.18797e-06


DD  step 229914999 load imb.: force 13.3%  pme mesh/force 0.706
           Step           Time
      229915000   459830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04602e+03    1.94629e+04    1.31523e+04    1.20239e+03   -2.93293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77282e+03    9.27341e+04    4.02231e+05   -2.33831e+04   -2.97732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63460e+04   -2.44569e+06    4.78702e+05   -1.96699e+06    2.44347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10351e+02   -2.07231e+02    3.32558e+01    6.20503e-06


DD  step 229919999 load imb.: force 12.9%  pme mesh/force 0.710
           Step           Time
      229920000   459840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18987e+03    1.93585e+04    1.31827e+04    1.15189e+03   -3.04812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97781e+03    9.24288e+04    4.00473e+05   -2.33706e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64548e+04   -2.44587e+06    4.79216e+05   -1.96665e+06    2.44353e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.07011e+02    7.49344e+01    5.95164e-06


DD  step 229924999 load imb.: force 13.7%  pme mesh/force 0.746
           Step           Time
      229925000   459850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83446e+03    1.95690e+04    1.31259e+04    1.24887e+03   -3.00902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79859e+03    9.25317e+04    3.98117e+05   -2.34459e+04   -2.97465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63596e+04   -2.44752e+06    4.77424e+05   -1.97009e+06    2.44359e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09523e+02   -2.08345e+02   -4.22180e+00    6.35432e-06


DD  step 229929999 load imb.: force 14.7%  pme mesh/force 0.721
           Step           Time
      229930000   459860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94728e+03    1.93756e+04    1.30751e+04    1.23872e+03   -3.09998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75861e+03    9.28503e+04    4.02710e+05   -2.34152e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65692e+04   -2.44790e+06    4.78622e+05   -1.96928e+06    2.44364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10299e+02   -2.07801e+02    7.10047e+01    5.97119e-06


DD  step 229934999 load imb.: force 14.5%  pme mesh/force 0.687
           Step           Time
      229935000   459870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07892e+03    1.95108e+04    1.29933e+04    1.17386e+03   -3.03535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76986e+03    9.28133e+04    4.00714e+05   -2.33946e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64439e+04   -2.44560e+06    4.80252e+05   -1.96535e+06    2.44369e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11356e+02   -2.07436e+02    1.85676e+01    6.10764e-06


DD  step 229939999 load imb.: force 15.3%  pme mesh/force 0.695
           Step           Time
      229940000   459880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96083e+03    1.93507e+04    1.31891e+04    1.15325e+03   -3.02666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95266e+03    9.23666e+04    3.96789e+05   -2.33395e+04   -2.97149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64736e+04   -2.44562e+06    4.80211e+05   -1.96541e+06    2.44375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11330e+02   -2.06460e+02   -7.51429e+01    6.25906e-06


DD  step 229944999 load imb.: force 14.2%  pme mesh/force 0.716
           Step           Time
      229945000   459890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82290e+03    1.96406e+04    1.32338e+04    1.18571e+03   -3.06145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89647e+03    9.29055e+04    4.02032e+05   -2.33556e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65195e+04   -2.44604e+06    4.79691e+05   -1.96635e+06    2.44381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10992e+02   -2.06745e+02    4.97226e+01    6.22757e-06


DD  step 229949999 load imb.: force 14.6%  pme mesh/force 0.732
           Step           Time
      229950000   459900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99799e+03    1.96595e+04    1.30774e+04    1.23139e+03   -3.10314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86175e+03    9.26034e+04    3.99390e+05   -2.33725e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64700e+04   -2.44789e+06    4.79152e+05   -1.96874e+06    2.44387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10643e+02   -2.07043e+02   -4.02674e+01    5.91942e-06


DD  step 229954999 load imb.: force 13.6%  pme mesh/force 0.733
           Step           Time
      229955000   459910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21772e+03    1.95290e+04    1.31430e+04    1.16162e+03   -3.01038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74136e+03    9.23847e+04    4.00299e+05   -2.33825e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66923e+04   -2.44717e+06    4.80128e+05   -1.96704e+06    2.44393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11276e+02   -2.07222e+02   -4.16784e+01    6.18007e-06


DD  step 229959999 load imb.: force 14.4%  pme mesh/force 0.741
           Step           Time
      229960000   459920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06975e+03    1.94227e+04    1.31160e+04    1.17770e+03   -3.09057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87032e+03    9.27812e+04    3.99891e+05   -2.33876e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64513e+04   -2.44835e+06    4.81302e+05   -1.96705e+06    2.44398e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12037e+02   -2.07311e+02   -5.66957e+00    6.10615e-06


DD  step 229964999 load imb.: force 13.2%  pme mesh/force 0.704
           Step           Time
      229965000   459930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97797e+03    1.92344e+04    1.31561e+04    1.05413e+03   -2.99107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90874e+03    9.28027e+04    4.00340e+05   -2.33673e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64474e+04   -2.44797e+06    4.78907e+05   -1.96907e+06    2.44404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10484e+02   -2.06952e+02    2.26241e+01    6.15271e-06


DD  step 229969999 load imb.: force 14.5%  pme mesh/force 0.762
           Step           Time
      229970000   459940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19757e+03    1.96919e+04    1.31266e+04    1.21704e+03   -3.00729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80255e+03    9.22634e+04    4.01297e+05   -2.33350e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64857e+04   -2.44514e+06    4.78137e+05   -1.96701e+06    2.44410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09984e+02   -2.06382e+02    8.96062e+00    6.18975e-06


DD  step 229974999 load imb.: force 15.1%  pme mesh/force 0.748
           Step           Time
      229975000   459950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02262e+03    1.92286e+04    1.32126e+04    1.14523e+03   -3.13959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93501e+03    9.28200e+04    4.00543e+05   -2.33936e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61714e+04   -2.44866e+06    4.81398e+05   -1.96726e+06    2.44415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12099e+02   -2.07417e+02    3.57659e+01    6.43033e-06


DD  step 229979999 load imb.: force 16.0%  pme mesh/force 0.761
           Step           Time
      229980000   459960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10413e+03    1.95049e+04    1.31198e+04    1.19370e+03   -2.95714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89796e+03    9.26444e+04    4.01407e+05   -2.32949e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65314e+04   -2.44463e+06    4.78279e+05   -1.96635e+06    2.44422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10077e+02   -2.05673e+02   -2.01917e+01    6.15777e-06


DD  step 229984999 load imb.: force 16.0%  pme mesh/force 0.795
           Step           Time
      229985000   459970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10734e+03    1.95640e+04    1.28782e+04    1.12521e+03   -2.97743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81994e+03    9.27194e+04    4.00195e+05   -2.34093e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64384e+04   -2.44744e+06    4.79121e+05   -1.96832e+06    2.44427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10623e+02   -2.07696e+02    1.86199e+01    6.19420e-06


DD  step 229989999 load imb.: force 15.0%  pme mesh/force 0.751
           Step           Time
      229990000   459980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21407e+03    1.96120e+04    1.31396e+04    1.23787e+03   -3.17866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82367e+03    9.30270e+04    4.00639e+05   -2.33705e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65055e+04   -2.44487e+06    4.83154e+05   -1.96171e+06    2.44433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13238e+02   -2.07010e+02    1.43539e+01    6.17246e-06


DD  step 229994999 load imb.: force 13.7%  pme mesh/force 0.722
           Step           Time
      229995000   459990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94202e+03    1.96258e+04    1.32046e+04    1.09486e+03   -3.04838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76586e+03    9.29035e+04    4.00833e+05   -2.33667e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65986e+04   -2.44514e+06    4.78461e+05   -1.96667e+06    2.44439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10195e+02   -2.06941e+02   -5.80951e+00    6.13646e-06


DD  step 229999999 load imb.: force 13.1%  pme mesh/force 0.697
           Step           Time
      230000000   460000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98211e+03    1.94900e+04    1.31552e+04    1.23360e+03   -3.10813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91375e+03    9.31379e+04    4.00505e+05   -2.33735e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64612e+04   -2.44852e+06    4.80547e+05   -1.96797e+06    2.44444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11547e+02   -2.07061e+02   -3.79850e+01    6.13515e-06


DD  step 230004999 load imb.: force 15.0%  pme mesh/force 0.738
           Step           Time
      230005000   460010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95434e+03    1.95761e+04    1.30800e+04    1.13352e+03   -2.98522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89490e+03    9.29825e+04    4.01178e+05   -2.33964e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63797e+04   -2.44591e+06    4.78547e+05   -1.96736e+06    2.44450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10250e+02   -2.07467e+02    6.23473e+01    6.19117e-06


DD  step 230009999 load imb.: force 13.5%  pme mesh/force 0.696
           Step           Time
      230010000   460020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19013e+03    1.99517e+04    1.30842e+04    1.14747e+03   -3.00344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82352e+03    9.19524e+04    3.99332e+05   -2.33329e+04   -2.97167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66840e+04   -2.44284e+06    4.81030e+05   -1.96181e+06    2.44455e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11860e+02   -2.06343e+02   -2.02835e-01    6.36609e-06


DD  step 230014999 load imb.: force 14.3%  pme mesh/force 0.740
           Step           Time
      230015000   460030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03203e+03    1.95694e+04    1.31275e+04    1.12919e+03   -3.16214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92894e+03    9.26846e+04    4.01627e+05   -2.33554e+04   -2.97894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64485e+04   -2.44791e+06    4.80212e+05   -1.96770e+06    2.44462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11330e+02   -2.06741e+02    2.14634e+01    6.22982e-06


DD  step 230019999 load imb.: force 13.5%  pme mesh/force 0.721
           Step           Time
      230020000   460040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92193e+03    1.95194e+04    1.29926e+04    1.20200e+03   -3.08337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82181e+03    9.22714e+04    3.97260e+05   -2.32982e+04   -2.97183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65985e+04   -2.44562e+06    4.79827e+05   -1.96579e+06    2.44467e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11080e+02   -2.05731e+02   -1.30913e+02    6.23619e-06


DD  step 230024999 load imb.: force 15.7%  pme mesh/force 0.767
           Step           Time
      230025000   460050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09939e+03    1.94653e+04    1.32708e+04    1.23376e+03   -2.95315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00862e+03    9.23202e+04    4.02696e+05   -2.33657e+04   -2.97936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66591e+04   -2.44692e+06    4.80527e+05   -1.96640e+06    2.44473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11534e+02   -2.06923e+02    5.23039e+01    6.34187e-06


DD  step 230029999 load imb.: force 16.0%  pme mesh/force 0.732
           Step           Time
      230030000   460060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05032e+03    1.93572e+04    1.32387e+04    1.17504e+03   -3.10771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91410e+03    9.25940e+04    3.97258e+05   -2.33612e+04   -2.97206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65897e+04   -2.44536e+06    4.82045e+05   -1.96331e+06    2.44478e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12518e+02   -2.06843e+02   -4.14932e+01    6.10178e-06


DD  step 230034999 load imb.: force 14.1%  pme mesh/force 0.718
           Step           Time
      230035000   460070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21694e+03    1.89235e+04    1.30760e+04    1.24652e+03   -2.98613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90942e+03    9.28405e+04    4.00111e+05   -2.33671e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61914e+04   -2.44854e+06    4.80892e+05   -1.96765e+06    2.44484e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11771e+02   -2.06949e+02   -3.31226e+01    6.34374e-06


DD  step 230039999 load imb.: force 16.0%  pme mesh/force 0.729
           Step           Time
      230040000   460080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90444e+03    1.97042e+04    1.30811e+04    1.13960e+03   -3.10939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84837e+03    9.27548e+04    3.99728e+05   -2.33956e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64713e+04   -2.44666e+06    4.78790e+05   -1.96787e+06    2.44490e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10408e+02   -2.07454e+02   -2.26658e+01    6.16685e-06


DD  step 230044999 load imb.: force 16.4%  pme mesh/force 0.740
           Step           Time
      230045000   460090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80835e+03    1.91591e+04    1.31830e+04    1.25349e+03   -3.00434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01635e+03    9.25173e+04    4.04870e+05   -2.34335e+04   -2.98523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65536e+04   -2.45131e+06    4.79435e+05   -1.97187e+06    2.44496e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10826e+02   -2.08124e+02    1.51583e+02    6.35048e-06

Writing checkpoint, step 230049100 at Wed Nov  8 03:01:28 2023



DD  step 230049999 load imb.: force 15.5%  pme mesh/force 0.731
           Step           Time
      230050000   460100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96331e+03    1.94030e+04    1.31128e+04    1.09762e+03   -3.06534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84013e+03    9.26125e+04    4.01768e+05   -2.33859e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63656e+04   -2.44902e+06    4.77450e+05   -1.97157e+06    2.44501e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09539e+02   -2.07281e+02    6.77418e+01    6.13824e-06


DD  step 230054999 load imb.: force 13.3%  pme mesh/force 0.704
           Step           Time
      230055000   460110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98445e+03    1.96896e+04    1.33058e+04    1.15518e+03   -3.06961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97105e+03    9.27172e+04    4.02026e+05   -2.33855e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65053e+04   -2.44559e+06    4.80459e+05   -1.96513e+06    2.44508e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11490e+02   -2.07275e+02    5.59327e+01    6.22641e-06


DD  step 230059999 load imb.: force 13.9%  pme mesh/force 0.724
           Step           Time
      230060000   460120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89044e+03    1.94666e+04    1.31544e+04    1.14735e+03   -3.06714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85247e+03    9.27066e+04    4.00832e+05   -2.34275e+04   -2.97969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64046e+04   -2.44973e+06    4.79844e+05   -1.96989e+06    2.44513e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11091e+02   -2.08018e+02   -5.70723e+00    6.34758e-06


DD  step 230064999 load imb.: force 14.5%  pme mesh/force 0.744
           Step           Time
      230065000   460130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02384e+03    1.96252e+04    1.30686e+04    1.16754e+03   -3.07448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84130e+03    9.26720e+04    4.00330e+05   -2.33550e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66208e+04   -2.44765e+06    4.79230e+05   -1.96842e+06    2.44519e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10693e+02   -2.06735e+02   -3.73802e+01    6.27705e-06


DD  step 230069999 load imb.: force 16.5%  pme mesh/force 0.776
           Step           Time
      230070000   460140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87291e+03    1.90655e+04    1.31473e+04    1.16597e+03   -3.02369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89899e+03    9.26212e+04    4.01007e+05   -2.33818e+04   -2.97853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65876e+04   -2.44857e+06    4.80310e+05   -1.96826e+06    2.44524e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11394e+02   -2.07208e+02    2.25866e+01    6.19581e-06


DD  step 230074999 load imb.: force 13.8%  pme mesh/force 0.715
           Step           Time
      230075000   460150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17485e+03    1.98251e+04    1.30852e+04    1.21947e+03   -2.95940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71294e+03    9.26229e+04    3.98907e+05   -2.33627e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65942e+04   -2.44557e+06    4.80601e+05   -1.96497e+06    2.44530e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11582e+02   -2.06870e+02   -9.83747e+01    6.12142e-06


DD  step 230079999 load imb.: force 12.6%  pme mesh/force 0.764
           Step           Time
      230080000   460160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94275e+03    1.94449e+04    1.32826e+04    1.23384e+03   -3.08194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74533e+03    9.23270e+04    3.99887e+05   -2.34013e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66238e+04   -2.44652e+06    4.79592e+05   -1.96693e+06    2.44536e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10928e+02   -2.07554e+02   -4.71029e+01    6.24802e-06


DD  step 230084999 load imb.: force 15.1%  pme mesh/force 0.766
           Step           Time
      230085000   460170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79377e+03    1.91161e+04    1.31814e+04    1.12569e+03   -3.00538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74692e+03    9.26345e+04    4.01384e+05   -2.34022e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64921e+04   -2.44912e+06    4.76983e+05   -1.97214e+06    2.44542e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09237e+02   -2.07570e+02    2.80849e+01    6.35990e-06


DD  step 230089999 load imb.: force 13.4%  pme mesh/force 0.735
           Step           Time
      230090000   460180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10942e+03    1.93695e+04    1.30935e+04    1.10503e+03   -3.03814e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75515e+03    9.25600e+04    4.00325e+05   -2.33774e+04   -2.97443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64891e+04   -2.44504e+06    4.80424e+05   -1.96462e+06    2.44548e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11468e+02   -2.07130e+02   -4.04846e-01    6.45591e-06


DD  step 230094999 load imb.: force 13.0%  pme mesh/force 0.744
           Step           Time
      230095000   460190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93202e+03    1.95660e+04    1.30097e+04    1.22098e+03   -3.05828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96083e+03    9.29406e+04    4.00061e+05   -2.34082e+04   -2.97504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66730e+04   -2.44514e+06    4.80468e+05   -1.96467e+06    2.44554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11496e+02   -2.07676e+02    5.17630e+01    6.23944e-06


DD  step 230099999 load imb.: force 13.8%  pme mesh/force 0.738
           Step           Time
      230100000   460200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06147e+03    1.91318e+04    1.29862e+04    1.23330e+03   -3.11767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94046e+03    9.27096e+04    3.99631e+05   -2.34065e+04   -2.97158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66516e+04   -2.44275e+06    4.78561e+05   -1.96419e+06    2.44559e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10260e+02   -2.07646e+02    7.34126e+01    6.37922e-06


DD  step 230104999 load imb.: force 15.2%  pme mesh/force 0.730
           Step           Time
      230105000   460210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86560e+03    1.91252e+04    1.30935e+04    1.20808e+03   -3.10642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99278e+03    9.31482e+04    4.01385e+05   -2.33880e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65502e+04   -2.44923e+06    4.80544e+05   -1.96868e+06    2.44564e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.07319e+02    2.85418e+01    6.24276e-06


DD  step 230109999 load imb.: force 12.7%  pme mesh/force 0.732
           Step           Time
      230110000   460220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99252e+03    1.95271e+04    1.31250e+04    1.16090e+03   -3.08406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85417e+03    9.24008e+04    4.00206e+05   -2.33764e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65457e+04   -2.44838e+06    4.79957e+05   -1.96842e+06    2.44570e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11165e+02   -2.07113e+02   -5.93928e+01    6.31068e-06


DD  step 230114999 load imb.: force 13.1%  pme mesh/force 0.770
           Step           Time
      230115000   460230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12807e+03    1.97027e+04    1.30923e+04    1.16549e+03   -3.10902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87639e+03    9.28903e+04    4.02296e+05   -2.34215e+04   -2.98226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63768e+04   -2.45026e+06    4.78905e+05   -1.97135e+06    2.44576e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10483e+02   -2.07912e+02    1.76707e+01    6.19181e-06


DD  step 230119999 load imb.: force 14.4%  pme mesh/force 0.767
           Step           Time
      230120000   460240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97334e+03    1.94500e+04    1.31482e+04    1.22553e+03   -3.06546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91528e+03    9.26413e+04    4.01835e+05   -2.34234e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62656e+04   -2.44752e+06    4.79740e+05   -1.96778e+06    2.44582e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11024e+02   -2.07945e+02    9.17260e+01    6.26382e-06


DD  step 230124999 load imb.: force 13.4%  pme mesh/force 0.725
           Step           Time
      230125000   460250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95980e+03    1.97606e+04    1.31513e+04    1.11582e+03   -3.02244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73728e+03    9.23557e+04    4.03896e+05   -2.33528e+04   -2.98001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65838e+04   -2.44683e+06    4.79649e+05   -1.96718e+06    2.44588e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10965e+02   -2.06696e+02    7.47952e+01    6.13324e-06


DD  step 230129999 load imb.: force 14.1%  pme mesh/force 0.747
           Step           Time
      230130000   460260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90719e+03    1.96239e+04    1.32217e+04    1.13045e+03   -3.15556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83726e+03    9.24572e+04    4.01016e+05   -2.34082e+04   -2.97875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64053e+04   -2.44871e+06    4.78614e+05   -1.97010e+06    2.44593e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10294e+02   -2.07677e+02    9.33916e+00    6.17779e-06


DD  step 230134999 load imb.: force 13.1%  pme mesh/force 0.725
           Step           Time
      230135000   460270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94541e+03    1.93416e+04    1.32583e+04    1.13157e+03   -3.13160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85148e+03    9.27095e+04    3.99340e+05   -2.33426e+04   -2.97358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64847e+04   -2.44500e+06    4.80997e+05   -1.96400e+06    2.44599e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11839e+02   -2.06516e+02   -2.70581e+00    6.21796e-06


DD  step 230139999 load imb.: force 12.6%  pme mesh/force 0.705
           Step           Time
      230140000   460280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02413e+03    1.92500e+04    1.31662e+04    1.18981e+03   -3.11049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87939e+03    9.23190e+04    4.02779e+05   -2.33584e+04   -2.97791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63921e+04   -2.44638e+06    4.79902e+05   -1.96648e+06    2.44605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11129e+02   -2.06795e+02    3.11504e+01    6.21739e-06


DD  step 230144999 load imb.: force 13.0%  pme mesh/force 0.700
           Step           Time
      230145000   460290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04791e+03    1.95308e+04    1.30591e+04    1.20286e+03   -3.05578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76030e+03    9.23410e+04    3.98817e+05   -2.33433e+04   -2.97302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63542e+04   -2.44531e+06    4.81405e+05   -1.96390e+06    2.44610e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12104e+02   -2.06528e+02   -8.87721e+01    6.20981e-06


DD  step 230149999 load imb.: force 13.7%  pme mesh/force 0.728
           Step           Time
      230150000   460300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04532e+03    1.94625e+04    1.31754e+04    1.14449e+03   -3.19442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85495e+03    9.27053e+04    4.01076e+05   -2.33732e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66460e+04   -2.44527e+06    4.80243e+05   -1.96502e+06    2.44617e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11350e+02   -2.07056e+02    3.60590e+01    6.10463e-06


DD  step 230154999 load imb.: force 13.1%  pme mesh/force 0.708
           Step           Time
      230155000   460310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03183e+03    1.95871e+04    1.30156e+04    1.24033e+03   -3.07347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90497e+03    9.29325e+04    4.00244e+05   -2.33575e+04   -2.97473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63871e+04   -2.44481e+06    4.81238e+05   -1.96358e+06    2.44622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11995e+02   -2.06778e+02    2.49750e+00    6.38629e-06


DD  step 230159999 load imb.: force 13.7%  pme mesh/force 0.720
           Step           Time
      230160000   460320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25533e+03    1.94349e+04    1.31034e+04    1.23465e+03   -3.09574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80419e+03    9.18847e+04    4.01882e+05   -2.33662e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63514e+04   -2.44773e+06    4.78065e+05   -1.96967e+06    2.44628e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.06932e+02    5.81515e+01    6.15432e-06


DD  step 230164999 load imb.: force 13.9%  pme mesh/force 0.728
           Step           Time
      230165000   460330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89018e+03    1.96955e+04    1.30630e+04    1.12214e+03   -3.05537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91144e+03    9.27254e+04    3.98908e+05   -2.33619e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63740e+04   -2.44661e+06    4.80751e+05   -1.96586e+06    2.44634e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11680e+02   -2.06856e+02   -1.98827e+01    6.24194e-06


DD  step 230169999 load imb.: force 14.9%  pme mesh/force 0.742
           Step           Time
      230170000   460340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08783e+03    1.92422e+04    1.32609e+04    1.17827e+03   -3.07254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81263e+03    9.32482e+04    4.02780e+05   -2.33465e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66717e+04   -2.44592e+06    4.79107e+05   -1.96681e+06    2.44640e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.06585e+02    2.66775e+01    6.11156e-06


DD  step 230174999 load imb.: force 13.9%  pme mesh/force 0.723
           Step           Time
      230175000   460350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04064e+03    1.95048e+04    1.31810e+04    1.12869e+03   -2.96210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94642e+03    9.29620e+04    4.01355e+05   -2.33910e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65580e+04   -2.44532e+06    4.79987e+05   -1.96534e+06    2.44645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11184e+02   -2.07371e+02    4.83620e+01    6.08738e-06


DD  step 230179999 load imb.: force 12.8%  pme mesh/force 0.712
           Step           Time
      230180000   460360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99598e+03    1.94204e+04    1.30683e+04    1.18739e+03   -3.00642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96535e+03    9.25368e+04    3.97081e+05   -2.34001e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64852e+04   -2.44736e+06    4.79031e+05   -1.96833e+06    2.44651e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10564e+02   -2.07533e+02   -7.00939e+01    6.13016e-06


DD  step 230184999 load imb.: force 15.2%  pme mesh/force 0.751
           Step           Time
      230185000   460370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01853e+03    1.92362e+04    1.33692e+04    1.10967e+03   -3.07901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89262e+03    9.22878e+04    4.00819e+05   -2.33979e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64362e+04   -2.44750e+06    4.79682e+05   -1.96782e+06    2.44657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10986e+02   -2.07493e+02    3.00486e+01    6.33040e-06


DD  step 230189999 load imb.: force 14.4%  pme mesh/force 0.731
           Step           Time
      230190000   460380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94448e+03    1.91846e+04    1.30724e+04    1.16403e+03   -3.07168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88860e+03    9.26854e+04    4.05171e+05   -2.34037e+04   -2.98684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64263e+04   -2.45278e+06    4.80168e+05   -1.97261e+06    2.44663e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.07597e+02    7.81045e+01    6.03405e-06


DD  step 230194999 load imb.: force 13.4%  pme mesh/force 0.739
           Step           Time
      230195000   460390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05703e+03    1.93535e+04    1.32514e+04    1.19380e+03   -3.07912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84042e+03    9.25127e+04    4.01613e+05   -2.33731e+04   -2.97968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63419e+04   -2.44897e+06    4.80416e+05   -1.96855e+06    2.44669e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.07055e+02    3.96257e+01    6.16873e-06


DD  step 230199999 load imb.: force 14.4%  pme mesh/force 0.742
           Step           Time
      230200000   460400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98022e+03    1.94437e+04    1.30918e+04    1.18730e+03   -2.98889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81059e+03    9.26322e+04    3.97963e+05   -2.33650e+04   -2.97386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64665e+04   -2.44664e+06    4.79303e+05   -1.96734e+06    2.44674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10740e+02   -2.06911e+02   -8.01110e+01    6.20082e-06


DD  step 230204999 load imb.: force 13.8%  pme mesh/force 0.741
           Step           Time
      230205000   460410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06953e+03    1.98270e+04    1.31404e+04    1.16669e+03   -3.07150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86432e+03    9.23753e+04    3.99364e+05   -2.34069e+04   -2.97264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64155e+04   -2.44389e+06    4.78493e+05   -1.96540e+06    2.44680e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10216e+02   -2.07654e+02    1.66903e+01    6.15672e-06


DD  step 230209999 load imb.: force 13.5%  pme mesh/force 0.750
           Step           Time
      230210000   460420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01812e+03    1.96417e+04    1.32738e+04    1.07974e+03   -3.09405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81685e+03    9.24340e+04    4.01709e+05   -2.33943e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63255e+04   -2.44862e+06    4.80263e+05   -1.96836e+06    2.44686e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.07430e+02    2.12160e+01    6.09595e-06


DD  step 230214999 load imb.: force 15.3%  pme mesh/force 0.787
           Step           Time
      230215000   460430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03600e+03    1.94298e+04    1.31596e+04    1.15537e+03   -3.09501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79872e+03    9.23175e+04    3.99974e+05   -2.33496e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65512e+04   -2.44637e+06    4.77773e+05   -1.96859e+06    2.44691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09749e+02   -2.06640e+02   -5.78989e+01    6.16599e-06


DD  step 230219999 load imb.: force 13.8%  pme mesh/force 0.766
           Step           Time
      230220000   460440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86741e+03    1.98786e+04    1.31471e+04    1.20709e+03   -3.09360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84764e+03    9.24197e+04    4.01049e+05   -2.34047e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63348e+04   -2.44589e+06    4.81533e+05   -1.96435e+06    2.44697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12186e+02   -2.07614e+02    6.57528e+01    6.20672e-06


DD  step 230224999 load imb.: force 16.0%  pme mesh/force 0.752
           Step           Time
      230225000   460450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13842e+03    1.89457e+04    1.31793e+04    1.23694e+03   -3.09742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86868e+03    9.29293e+04    3.97764e+05   -2.33345e+04   -2.97232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66871e+04   -2.44501e+06    4.80729e+05   -1.96428e+06    2.44703e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11665e+02   -2.06372e+02   -9.57697e+01    6.34759e-06


DD  step 230229999 load imb.: force 14.6%  pme mesh/force 0.781
           Step           Time
      230230000   460460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99657e+03    1.93509e+04    1.30119e+04    1.15431e+03   -2.95649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65475e+03    9.28587e+04    4.00720e+05   -2.33419e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65080e+04   -2.44699e+06    4.78572e+05   -1.96842e+06    2.44709e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10267e+02   -2.06503e+02    2.48573e+00    6.23227e-06


DD  step 230234999 load imb.: force 13.5%  pme mesh/force 0.755
           Step           Time
      230235000   460470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00848e+03    1.97156e+04    1.30383e+04    1.25568e+03   -3.05459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78817e+03    9.22788e+04    4.02475e+05   -2.33901e+04   -2.98134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65884e+04   -2.44964e+06    4.79410e+05   -1.97023e+06    2.44715e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.07355e+02    3.11868e+01    6.28607e-06


DD  step 230239999 load imb.: force 13.8%  pme mesh/force 0.732
           Step           Time
      230240000   460480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04288e+03    1.94642e+04    1.32903e+04    1.23553e+03   -3.08983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71498e+03    9.24571e+04    4.00063e+05   -2.33714e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66234e+04   -2.44528e+06    4.80281e+05   -1.96500e+06    2.44720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.07024e+02   -5.97433e+01    6.15710e-06


DD  step 230244999 load imb.: force 12.8%  pme mesh/force 0.757
           Step           Time
      230245000   460490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94870e+03    1.96311e+04    1.31057e+04    1.17456e+03   -3.08231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80820e+03    9.30540e+04    4.00058e+05   -2.33690e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66629e+04   -2.44593e+06    4.80437e+05   -1.96550e+06    2.44726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11476e+02   -2.06983e+02   -2.79196e+01    6.36029e-06


DD  step 230249999 load imb.: force 14.7%  pme mesh/force 0.766
           Step           Time
      230250000   460500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85727e+03    1.96162e+04    1.30921e+04    1.26138e+03   -2.94700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84078e+03    9.24041e+04    4.00157e+05   -2.33885e+04   -2.97706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67089e+04   -2.44746e+06    4.82638e+05   -1.96482e+06    2.44732e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12903e+02   -2.07328e+02    2.31096e+01    6.18250e-06


DD  step 230254999 load imb.: force 15.4%  pme mesh/force 0.783
           Step           Time
      230255000   460510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83369e+03    1.90006e+04    1.31486e+04    1.14246e+03   -3.00688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65355e+03    9.30428e+04    3.99634e+05   -2.33844e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65009e+04   -2.45039e+06    4.78241e+05   -1.97214e+06    2.44738e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10052e+02   -2.07256e+02   -4.51839e+01    6.39166e-06


DD  step 230259999 load imb.: force 15.4%  pme mesh/force 0.762
           Step           Time
      230260000   460520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13162e+03    1.89249e+04    1.32691e+04    1.17543e+03   -2.99534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90521e+03    9.23627e+04    3.99105e+05   -2.34234e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64140e+04   -2.44868e+06    4.79256e+05   -1.96943e+06    2.44744e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.07946e+02    3.83062e+01    6.17406e-06


DD  step 230264999 load imb.: force 13.2%  pme mesh/force 0.754
           Step           Time
      230265000   460530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12210e+03    1.93938e+04    1.29813e+04    1.21732e+03   -2.99386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67545e+03    9.26298e+04    3.99533e+05   -2.33379e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65003e+04   -2.44644e+06    4.79943e+05   -1.96650e+06    2.44750e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11156e+02   -2.06431e+02   -5.27629e+01    6.29867e-06


DD  step 230269999 load imb.: force 14.2%  pme mesh/force 0.774
           Step           Time
      230270000   460540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16438e+03    2.00819e+04    1.30120e+04    1.11265e+03   -3.02902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68302e+03    9.25745e+04    3.97840e+05   -2.34139e+04   -2.97452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63604e+04   -2.44713e+06    4.81572e+05   -1.96556e+06    2.44756e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12212e+02   -2.07777e+02   -7.27292e+01    6.11718e-06


DD  step 230274999 load imb.: force 14.7%  pme mesh/force 0.781
           Step           Time
      230275000   460550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94348e+03    1.96411e+04    1.31977e+04    1.14004e+03   -3.02434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91811e+03    9.22425e+04    4.01115e+05   -2.33762e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65800e+04   -2.44593e+06    4.80594e+05   -1.96534e+06    2.44761e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11577e+02   -2.07109e+02    4.62253e+01    6.27259e-06


DD  step 230279999 load imb.: force 14.9%  pme mesh/force 0.750
           Step           Time
      230280000   460560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04060e+03    1.94661e+04    1.30566e+04    1.21073e+03   -2.98323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84053e+03    9.26257e+04    4.00495e+05   -2.34348e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62653e+04   -2.44571e+06    4.82109e+05   -1.96360e+06    2.44767e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12560e+02   -2.08149e+02    4.04033e+01    6.23715e-06


DD  step 230284999 load imb.: force 16.6%  pme mesh/force 0.775
           Step           Time
      230285000   460570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29004e+03    1.95710e+04    1.32030e+04    1.18514e+03   -3.09927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91492e+03    9.30804e+04    3.97790e+05   -2.33294e+04   -2.97068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67535e+04   -2.44232e+06    4.81704e+05   -1.96062e+06    2.44773e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12297e+02   -2.06282e+02   -1.72040e+00    6.18741e-06


DD  step 230289999 load imb.: force 15.1%  pme mesh/force 0.771
           Step           Time
      230290000   460580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09767e+03    1.92390e+04    1.30708e+04    1.18911e+03   -3.12118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80853e+03    9.31701e+04    4.02006e+05   -2.33507e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66567e+04   -2.44778e+06    4.80541e+05   -1.96724e+06    2.44778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.06659e+02   -2.24045e+01    6.21856e-06


DD  step 230294999 load imb.: force 15.3%  pme mesh/force 0.769
           Step           Time
      230295000   460590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74476e+03    1.95772e+04    1.31331e+04    1.15398e+03   -3.16673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93665e+03    9.29464e+04    4.02501e+05   -2.33752e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65480e+04   -2.44777e+06    4.78286e+05   -1.96949e+06    2.44784e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10082e+02   -2.07092e+02    5.52171e+01    6.16533e-06


DD  step 230299999 load imb.: force 14.0%  pme mesh/force 0.755
           Step           Time
      230300000   460600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13387e+03    1.95514e+04    1.30301e+04    1.11017e+03   -3.10061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79342e+03    9.28175e+04    3.98432e+05   -2.33642e+04   -2.97298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65449e+04   -2.44503e+06    4.79628e+05   -1.96540e+06    2.44790e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.06897e+02   -6.09787e+01    6.16231e-06


DD  step 230304999 load imb.: force 12.1%  pme mesh/force 0.711
           Step           Time
      230305000   460610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09771e+03    1.93765e+04    1.31328e+04    1.27960e+03   -3.03519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69655e+03    9.27356e+04    3.98042e+05   -2.33660e+04   -2.97296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64648e+04   -2.44554e+06    4.77852e+05   -1.96768e+06    2.44796e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09800e+02   -2.06928e+02   -1.10568e+02    6.32979e-06


DD  step 230309999 load imb.: force 14.1%  pme mesh/force 0.743
           Step           Time
      230310000   460620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86946e+03    1.94602e+04    1.32857e+04    1.21761e+03   -3.17328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84229e+03    9.29513e+04    3.98625e+05   -2.33923e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62533e+04   -2.45092e+06    4.81548e+05   -1.96938e+06    2.44801e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12196e+02   -2.07394e+02   -8.09485e+01    6.16827e-06


DD  step 230314999 load imb.: force 15.0%  pme mesh/force 0.774
           Step           Time
      230315000   460630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90455e+03    1.95032e+04    1.29347e+04    1.23215e+03   -3.08783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68854e+03    9.27980e+04    3.97017e+05   -2.34052e+04   -2.97302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63643e+04   -2.44707e+06    4.80493e+05   -1.96658e+06    2.44807e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11512e+02   -2.07623e+02   -7.73117e+01    6.30162e-06


DD  step 230319999 load imb.: force 15.6%  pme mesh/force 0.778
           Step           Time
      230320000   460640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71981e+03    1.93791e+04    1.32283e+04    1.18177e+03   -3.12257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85346e+03    9.30091e+04    4.02787e+05   -2.33911e+04   -2.98152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64920e+04   -2.44938e+06    4.81528e+05   -1.96785e+06    2.44812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.07373e+02    7.17612e+01    6.31634e-06


DD  step 230324999 load imb.: force 14.8%  pme mesh/force 0.745
           Step           Time
      230325000   460650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11296e+03    1.97122e+04    1.29169e+04    1.14792e+03   -3.04084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69403e+03    9.31090e+04    3.99332e+05   -2.33539e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64768e+04   -2.44510e+06    4.79816e+05   -1.96528e+06    2.44818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11073e+02   -2.06715e+02   -4.42577e+01    6.35517e-06


DD  step 230329999 load imb.: force 16.6%  pme mesh/force 0.771
           Step           Time
      230330000   460660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91672e+03    1.95327e+04    1.29904e+04    1.20339e+03   -3.02631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85205e+03    9.30409e+04    3.99758e+05   -2.33562e+04   -2.97481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65621e+04   -2.44533e+06    4.78854e+05   -1.96648e+06    2.44824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10450e+02   -2.06757e+02    9.68610e+00    6.24977e-06


DD  step 230334999 load imb.: force 14.8%  pme mesh/force 0.756
           Step           Time
      230335000   460670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10771e+03    1.93232e+04    1.30966e+04    1.21639e+03   -3.08367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69946e+03    9.27596e+04    3.99356e+05   -2.34164e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64112e+04   -2.44887e+06    4.78692e+05   -1.97018e+06    2.44830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10345e+02   -2.07821e+02   -9.06336e+01    6.07298e-06


DD  step 230339999 load imb.: force 13.9%  pme mesh/force 0.770
           Step           Time
      230340000   460680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21565e+03    1.92424e+04    1.31709e+04    1.24066e+03   -3.04424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72846e+03    9.26164e+04    4.01833e+05   -2.33757e+04   -2.98097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62600e+04   -2.45008e+06    4.80173e+05   -1.96991e+06    2.44836e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.07101e+02   -1.74014e+01    6.19407e-06


DD  step 230344999 load imb.: force 13.7%  pme mesh/force 0.754
           Step           Time
      230345000   460690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86018e+03    1.95055e+04    1.30989e+04    1.15685e+03   -3.02827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87371e+03    9.29328e+04    4.02499e+05   -2.33836e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66381e+04   -2.44647e+06    4.79776e+05   -1.96669e+06    2.44842e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.07240e+02    9.17470e+01    6.30737e-06


DD  step 230349999 load imb.: force 13.9%  pme mesh/force 0.755
           Step           Time
      230350000   460700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84833e+03    1.93420e+04    1.31267e+04    1.21416e+03   -3.03986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83335e+03    9.33938e+04    4.00727e+05   -2.33650e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66851e+04   -2.44802e+06    4.79095e+05   -1.96892e+06    2.44848e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.06911e+02    3.09454e+00    6.16597e-06


DD  step 230354999 load imb.: force 17.9%  pme mesh/force 0.807
           Step           Time
      230355000   460710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04488e+03    1.95341e+04    1.32987e+04    1.19758e+03   -3.05728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96820e+03    9.27486e+04    4.01260e+05   -2.33672e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67091e+04   -2.44519e+06    4.79685e+05   -1.96551e+06    2.44854e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10988e+02   -2.06950e+02    4.84918e+01    6.17107e-06


DD  step 230359999 load imb.: force 15.6%  pme mesh/force 0.792
           Step           Time
      230360000   460720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01698e+03    1.91546e+04    1.30945e+04    1.11303e+03   -3.04946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70588e+03    9.32892e+04    3.99225e+05   -2.33439e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65795e+04   -2.44560e+06    4.80816e+05   -1.96479e+06    2.44859e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.06538e+02   -4.91632e+01    6.01104e-06


DD  step 230364999 load imb.: force 15.3%  pme mesh/force 0.788
           Step           Time
      230365000   460730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07944e+03    1.93533e+04    1.32092e+04    1.22991e+03   -2.98566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88772e+03    9.29114e+04    4.01026e+05   -2.33827e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65994e+04   -2.44757e+06    4.78832e+05   -1.96874e+06    2.44865e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10435e+02   -2.07225e+02    1.24541e+01    6.34099e-06


DD  step 230369999 load imb.: force 14.0%  pme mesh/force 0.767
           Step           Time
      230370000   460740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07360e+03    1.94884e+04    1.27903e+04    1.22777e+03   -3.11889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91076e+03    9.28025e+04    3.98289e+05   -2.33651e+04   -2.97328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65069e+04   -2.44568e+06    4.79784e+05   -1.96590e+06    2.44871e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11053e+02   -2.06913e+02   -5.97140e+01    6.25944e-06


DD  step 230374999 load imb.: force 15.5%  pme mesh/force 0.761
           Step           Time
      230375000   460750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98295e+03    1.95627e+04    1.31719e+04    1.10475e+03   -3.16538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84274e+03    9.28659e+04    3.99445e+05   -2.33690e+04   -2.97427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66705e+04   -2.44516e+06    4.80317e+05   -1.96484e+06    2.44876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11398e+02   -2.06982e+02    2.84833e+00    6.41257e-06


DD  step 230379999 load imb.: force 14.7%  pme mesh/force 0.736
           Step           Time
      230380000   460760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88211e+03    1.93287e+04    1.31188e+04    1.19714e+03   -3.16170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78298e+03    9.30042e+04    4.01941e+05   -2.33653e+04   -2.98045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66573e+04   -2.44906e+06    4.79335e+05   -1.96973e+06    2.44882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10762e+02   -2.06917e+02    2.18554e+01    6.30996e-06


DD  step 230384999 load imb.: force 13.6%  pme mesh/force 0.731
           Step           Time
      230385000   460770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78094e+03    1.97177e+04    1.32000e+04    1.33627e+03   -3.05578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86222e+03    9.30285e+04    3.99285e+05   -2.33381e+04   -2.97278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66546e+04   -2.44331e+06    4.82441e+05   -1.96087e+06    2.44887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12775e+02   -2.06435e+02    2.18527e+01    6.20319e-06


DD  step 230389999 load imb.: force 16.6%  pme mesh/force 0.788
           Step           Time
      230390000   460780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92223e+03    1.94653e+04    1.30633e+04    1.20154e+03   -2.98232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78672e+03    9.28085e+04    4.01546e+05   -2.33688e+04   -2.98081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64931e+04   -2.44987e+06    4.80745e+05   -1.96913e+06    2.44894e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11676e+02   -2.06978e+02   -5.94347e+00    6.31460e-06

Writing checkpoint, step 230390500 at Wed Nov  8 03:16:28 2023



DD  step 230394999 load imb.: force 14.2%  pme mesh/force 0.742
           Step           Time
      230395000   460790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92483e+03    1.91291e+04    1.31260e+04    1.24388e+03   -2.94848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82694e+03    9.29994e+04    4.04229e+05   -2.33921e+04   -2.98248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63946e+04   -2.44895e+06    4.79332e+05   -1.96961e+06    2.44899e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.07391e+02    1.22232e+02    6.34018e-06


DD  step 230399999 load imb.: force 13.8%  pme mesh/force 0.710
           Step           Time
      230400000   460800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25599e+03    1.95381e+04    1.31634e+04    1.11660e+03   -3.05022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73322e+03    9.28445e+04    4.00203e+05   -2.33774e+04   -2.97548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64464e+04   -2.44560e+06    4.81735e+05   -1.96387e+06    2.44905e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12317e+02   -2.07131e+02    2.53478e+01    6.08503e-06


DD  step 230404999 load imb.: force 14.1%  pme mesh/force 0.744
           Step           Time
      230405000   460810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06837e+03    1.95564e+04    1.30302e+04    1.17656e+03   -3.24249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68257e+03    9.28314e+04    3.99439e+05   -2.34123e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64494e+04   -2.44877e+06    4.78031e+05   -1.97073e+06    2.44911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09916e+02   -2.07748e+02   -9.23037e+01    6.19796e-06


DD  step 230409999 load imb.: force 14.6%  pme mesh/force 0.742
           Step           Time
      230410000   460820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03826e+03    1.95377e+04    1.33206e+04    1.23980e+03   -3.12493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76358e+03    9.26930e+04    3.97711e+05   -2.33565e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61839e+04   -2.44793e+06    4.81080e+05   -1.96685e+06    2.44916e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11893e+02   -2.06761e+02   -1.37033e+02    6.33215e-06


DD  step 230414999 load imb.: force 15.9%  pme mesh/force 0.778
           Step           Time
      230415000   460830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21516e+03    1.94153e+04    1.29526e+04    1.21660e+03   -2.99650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82963e+03    9.28207e+04    3.99904e+05   -2.33981e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64389e+04   -2.44587e+06    4.77041e+05   -1.96883e+06    2.44922e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09274e+02   -2.07498e+02   -3.53734e+01    6.02135e-06


DD  step 230419999 load imb.: force 13.8%  pme mesh/force 0.715
           Step           Time
      230420000   460840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88111e+03    1.90274e+04    1.30285e+04    1.16766e+03   -3.07768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80120e+03    9.30070e+04    4.02686e+05   -2.33920e+04   -2.98030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64395e+04   -2.44873e+06    4.77505e+05   -1.97123e+06    2.44928e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09575e+02   -2.07389e+02    7.02609e+01    6.19054e-06


DD  step 230424999 load imb.: force 18.8%  pme mesh/force 0.780
           Step           Time
      230425000   460850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87685e+03    1.90991e+04    1.29718e+04    1.25065e+03   -2.93864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82574e+03    9.31327e+04    4.02820e+05   -2.34099e+04   -2.98157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64706e+04   -2.44947e+06    4.80394e+05   -1.96908e+06    2.44934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11448e+02   -2.07707e+02    4.86015e+01    6.27995e-06


DD  step 230429999 load imb.: force 16.1%  pme mesh/force 0.753
           Step           Time
      230430000   460860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79619e+03    1.93686e+04    1.29906e+04    1.19728e+03   -3.08221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94641e+03    9.25625e+04    4.01624e+05   -2.34007e+04   -2.98008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65006e+04   -2.44958e+06    4.80761e+05   -1.96882e+06    2.44940e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11686e+02   -2.07543e+02    9.39809e+01    6.13484e-06


DD  step 230434999 load imb.: force 13.5%  pme mesh/force 0.734
           Step           Time
      230435000   460870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06455e+03    1.94222e+04    1.31048e+04    1.19978e+03   -3.07996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83565e+03    9.23146e+04    4.02089e+05   -2.34305e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65959e+04   -2.44800e+06    4.80632e+05   -1.96737e+06    2.44945e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11602e+02   -2.08071e+02    9.95730e+01    6.04419e-06


DD  step 230439999 load imb.: force 15.7%  pme mesh/force 0.761
           Step           Time
      230440000   460880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09999e+03    1.93521e+04    1.31602e+04    1.21257e+03   -3.03230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75930e+03    9.29445e+04    4.00665e+05   -2.34239e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64464e+04   -2.44614e+06    4.79231e+05   -1.96691e+06    2.44951e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10694e+02   -2.07955e+02    2.24950e+01    6.19130e-06


DD  step 230444999 load imb.: force 13.9%  pme mesh/force 0.767
           Step           Time
      230445000   460890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14864e+03    1.90001e+04    1.30182e+04    1.12377e+03   -3.05586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69547e+03    9.31140e+04    4.00494e+05   -2.34164e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63130e+04   -2.44622e+06    4.77715e+05   -1.96850e+06    2.44957e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09711e+02   -2.07821e+02    1.25402e+01    6.10592e-06


DD  step 230449999 load imb.: force 15.9%  pme mesh/force 0.768
           Step           Time
      230450000   460900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07376e+03    1.93709e+04    1.30673e+04    1.13559e+03   -3.10482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88378e+03    9.29932e+04    4.03207e+05   -2.33946e+04   -2.98060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65164e+04   -2.44785e+06    4.80121e+05   -1.96773e+06    2.44963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11271e+02   -2.07435e+02    8.61106e+01    6.13258e-06


DD  step 230454999 load imb.: force 15.2%  pme mesh/force 0.767
           Step           Time
      230455000   460910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89317e+03    1.93137e+04    1.31449e+04    1.14255e+03   -2.99803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85199e+03    9.30716e+04    3.99793e+05   -2.33846e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64978e+04   -2.44622e+06    4.80255e+05   -1.96597e+06    2.44969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11358e+02   -2.07259e+02    1.38356e+01    6.10946e-06


DD  step 230459999 load imb.: force 15.0%  pme mesh/force 0.778
           Step           Time
      230460000   460920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01494e+03    1.92617e+04    1.30846e+04    1.25255e+03   -3.03787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90092e+03    9.29073e+04    3.99417e+05   -2.33701e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64049e+04   -2.44659e+06    4.79304e+05   -1.96728e+06    2.44975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10741e+02   -2.07001e+02   -3.83425e+01    6.36691e-06


DD  step 230464999 load imb.: force 13.6%  pme mesh/force 0.729
           Step           Time
      230465000   460930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10331e+03    1.97932e+04    1.31155e+04    1.25794e+03   -3.13139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75895e+03    9.28752e+04    4.00381e+05   -2.33572e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66531e+04   -2.44525e+06    4.81817e+05   -1.96343e+06    2.44980e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12371e+02   -2.06773e+02    7.92952e+00    6.04684e-06


DD  step 230469999 load imb.: force 15.2%  pme mesh/force 0.779
           Step           Time
      230470000   460940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88770e+03    1.93731e+04    1.31233e+04    1.12360e+03   -3.08622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76090e+03    9.32120e+04    3.98255e+05   -2.33512e+04   -2.97331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64169e+04   -2.44559e+06    4.78223e+05   -1.96737e+06    2.44986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10041e+02   -2.06668e+02   -8.85582e+01    6.35282e-06


DD  step 230474999 load imb.: force 13.6%  pme mesh/force 0.749
           Step           Time
      230475000   460950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88057e+03    1.94224e+04    1.32038e+04    1.16075e+03   -3.05977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85235e+03    9.29933e+04    3.99970e+05   -2.33392e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64133e+04   -2.44810e+06    4.80788e+05   -1.96731e+06    2.44992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11703e+02   -2.06456e+02   -5.83199e+01    6.19327e-06


DD  step 230479999 load imb.: force 15.5%  pme mesh/force 0.760
           Step           Time
      230480000   460960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94931e+03    1.93323e+04    1.31187e+04    1.21818e+03   -3.06449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74452e+03    9.27698e+04    4.00622e+05   -2.34053e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64268e+04   -2.44739e+06    4.79214e+05   -1.96817e+06    2.44998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.07626e+02    2.54719e+01    6.12934e-06


DD  step 230484999 load imb.: force 15.3%  pme mesh/force 0.763
           Step           Time
      230485000   460970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67735e+03    1.95549e+04    1.30521e+04    1.15017e+03   -3.05225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88818e+03    9.28470e+04    4.00861e+05   -2.34191e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66912e+04   -2.44752e+06    4.80247e+05   -1.96727e+06    2.45004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11353e+02   -2.07870e+02    5.21653e+01    6.31675e-06


DD  step 230489999 load imb.: force 13.9%  pme mesh/force 0.720
           Step           Time
      230490000   460980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95011e+03    1.93819e+04    1.31643e+04    1.17324e+03   -3.11579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73298e+03    9.22867e+04    4.00568e+05   -2.33785e+04   -2.98119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63876e+04   -2.45204e+06    4.79360e+05   -1.97267e+06    2.45009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10778e+02   -2.07150e+02   -9.85576e+01    6.20631e-06


DD  step 230494999 load imb.: force 14.0%  pme mesh/force 0.750
           Step           Time
      230495000   460990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09894e+03    1.94627e+04    1.28657e+04    1.32756e+03   -3.12623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73825e+03    9.27353e+04    3.96684e+05   -2.33487e+04   -2.97292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65406e+04   -2.44694e+06    4.80412e+05   -1.96653e+06    2.45015e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11460e+02   -2.06623e+02   -1.70811e+02    6.26497e-06


DD  step 230499999 load imb.: force 15.4%  pme mesh/force 0.788
           Step           Time
      230500000   461000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02097e+03    1.93227e+04    1.31739e+04    1.23202e+03   -3.10586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80321e+03    9.31481e+04    4.01771e+05   -2.34417e+04   -2.97989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64709e+04   -2.44849e+06    4.80487e+05   -1.96800e+06    2.45021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11508e+02   -2.08271e+02    6.84176e+01    6.23773e-06


DD  step 230504999 load imb.: force 14.0%  pme mesh/force 0.748
           Step           Time
      230505000   461010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27632e+03    1.93986e+04    1.30720e+04    1.21157e+03   -2.95912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83991e+03    9.22997e+04    3.98948e+05   -2.33853e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64012e+04   -2.44776e+06    4.80962e+05   -1.96679e+06    2.45027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11816e+02   -2.07271e+02   -2.59498e+01    6.34626e-06


DD  step 230509999 load imb.: force 14.7%  pme mesh/force 0.761
           Step           Time
      230510000   461020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97373e+03    1.93488e+04    1.30974e+04    1.16136e+03   -3.18864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78784e+03    9.30184e+04    4.02102e+05   -2.33896e+04   -2.97995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66773e+04   -2.44836e+06    4.78994e+05   -1.96936e+06    2.45033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10540e+02   -2.07347e+02    1.74530e+01    6.20133e-06


DD  step 230514999 load imb.: force 15.5%  pme mesh/force 0.783
           Step           Time
      230515000   461030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18758e+03    1.93684e+04    1.30232e+04    1.21036e+03   -3.15569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81250e+03    9.30441e+04    3.98619e+05   -2.33705e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67420e+04   -2.44742e+06    4.80586e+05   -1.96683e+06    2.45039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11572e+02   -2.07008e+02   -3.21740e+01    6.30804e-06


DD  step 230519999 load imb.: force 16.4%  pme mesh/force 0.831
           Step           Time
      230520000   461040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00332e+03    1.92335e+04    1.31534e+04    1.25495e+03   -3.03681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87908e+03    9.31135e+04    4.00762e+05   -2.34277e+04   -2.97961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64474e+04   -2.44922e+06    4.78951e+05   -1.97027e+06    2.45045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10513e+02   -2.08022e+02   -2.30139e+01    6.12731e-06


DD  step 230524999 load imb.: force 16.6%  pme mesh/force 0.774
           Step           Time
      230525000   461050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86191e+03    1.92686e+04    1.30569e+04    1.15398e+03   -3.07686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79417e+03    9.31976e+04    3.99536e+05   -2.33557e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64294e+04   -2.44860e+06    4.78906e+05   -1.96969e+06    2.45050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10483e+02   -2.06748e+02   -6.62785e+01    6.03115e-06


DD  step 230529999 load imb.: force 14.7%  pme mesh/force 0.755
           Step           Time
      230530000   461060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96129e+03    1.92814e+04    1.31490e+04    1.25787e+03   -2.99588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85125e+03    9.34561e+04    4.02587e+05   -2.34209e+04   -2.97928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65639e+04   -2.44658e+06    4.80254e+05   -1.96633e+06    2.45056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.07901e+02    1.05019e+02    6.13925e-06


DD  step 230534999 load imb.: force 15.8%  pme mesh/force 0.769
           Step           Time
      230535000   461070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08053e+03    1.93567e+04    1.31553e+04    1.13619e+03   -2.99512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81730e+03    9.32940e+04    4.01437e+05   -2.34198e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64681e+04   -2.44643e+06    4.80951e+05   -1.96548e+06    2.45062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11809e+02   -2.07881e+02    3.48683e+01    6.26762e-06


DD  step 230539999 load imb.: force 14.3%  pme mesh/force 0.766
           Step           Time
      230540000   461080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.47095e+03    1.94063e+04    1.30971e+04    1.22800e+03   -3.08409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77242e+03    9.28528e+04    4.00535e+05   -2.34175e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65358e+04   -2.44616e+06    4.80212e+05   -1.96594e+06    2.45068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11330e+02   -2.07841e+02    1.37257e+01    6.24787e-06


DD  step 230544999 load imb.: force 14.6%  pme mesh/force 0.735
           Step           Time
      230545000   461090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08342e+03    1.99167e+04    1.30678e+04    1.17950e+03   -3.11342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83671e+03    9.25395e+04    4.01797e+05   -2.33936e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65129e+04   -2.44568e+06    4.81013e+05   -1.96467e+06    2.45073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11850e+02   -2.07417e+02    7.33394e+01    6.35627e-06


DD  step 230549999 load imb.: force 14.7%  pme mesh/force 0.744
           Step           Time
      230550000   461100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18650e+03    1.94218e+04    1.31977e+04    1.15128e+03   -3.20941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79322e+03    9.27902e+04    4.01172e+05   -2.33654e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65021e+04   -2.44743e+06    4.78448e+05   -1.96899e+06    2.45078e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10186e+02   -2.06919e+02    2.42186e+00    6.31460e-06


DD  step 230554999 load imb.: force 14.1%  pme mesh/force 0.749
           Step           Time
      230555000   461110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01233e+03    1.95277e+04    1.33299e+04    1.23712e+03   -3.24016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71350e+03    9.31339e+04    4.00520e+05   -2.33925e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64916e+04   -2.44803e+06    4.80235e+05   -1.96780e+06    2.45084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11345e+02   -2.07398e+02   -3.22274e+01    6.34384e-06


DD  step 230559999 load imb.: force 15.4%  pme mesh/force 0.733
           Step           Time
      230560000   461120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.59109e+03    1.93516e+04    1.31572e+04    1.12878e+03   -3.18637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82930e+03    9.33136e+04    4.00834e+05   -2.33635e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65514e+04   -2.44969e+06    4.78790e+05   -1.97090e+06    2.45090e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10408e+02   -2.06885e+02   -1.84342e+01    6.37027e-06


DD  step 230564999 load imb.: force 13.4%  pme mesh/force 0.717
           Step           Time
      230565000   461130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93637e+03    1.93856e+04    1.28590e+04    1.18174e+03   -3.09044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90816e+03    9.34209e+04    4.01370e+05   -2.34151e+04   -2.98004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63981e+04   -2.44909e+06    4.82027e+05   -1.96706e+06    2.45095e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12507e+02   -2.07799e+02    1.63630e+01    6.44263e-06


DD  step 230569999 load imb.: force 15.9%  pme mesh/force 0.767
           Step           Time
      230570000   461140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95448e+03    1.91874e+04    1.30374e+04    1.19399e+03   -3.18234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92958e+03    9.34202e+04    3.99677e+05   -2.33956e+04   -2.97751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66036e+04   -2.44809e+06    4.79717e+05   -1.96837e+06    2.45101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.07453e+02    1.53815e+00    6.17663e-06


DD  step 230574999 load imb.: force 13.8%  pme mesh/force 0.762
           Step           Time
      230575000   461150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22982e+03    1.95665e+04    1.30221e+04    1.19222e+03   -2.99581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77281e+03    9.29825e+04    4.01803e+05   -2.33627e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65218e+04   -2.44648e+06    4.79944e+05   -1.96654e+06    2.45107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11157e+02   -2.06870e+02   -7.86682e+00    6.16216e-06


DD  step 230579999 load imb.: force 14.7%  pme mesh/force 0.760
           Step           Time
      230580000   461160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87578e+03    1.97561e+04    1.29056e+04    1.17781e+03   -3.13730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84480e+03    9.32274e+04    3.96613e+05   -2.33838e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65273e+04   -2.44781e+06    4.79070e+05   -1.96874e+06    2.45113e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10589e+02   -2.07244e+02   -9.96461e+01    6.41801e-06


DD  step 230584999 load imb.: force 13.4%  pme mesh/force 0.745
           Step           Time
      230585000   461170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95484e+03    1.94581e+04    1.31825e+04    1.21268e+03   -3.13610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75042e+03    9.28082e+04    4.02227e+05   -2.33809e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64870e+04   -2.44653e+06    4.78931e+05   -1.96759e+06    2.45119e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.07193e+02    1.08072e+01    6.28637e-06


DD  step 230589999 load imb.: force 13.9%  pme mesh/force 0.747
           Step           Time
      230590000   461180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26494e+03    1.96263e+04    1.30238e+04    1.22139e+03   -3.14230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66965e+03    9.32585e+04    4.02143e+05   -2.33908e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64536e+04   -2.44732e+06    4.79558e+05   -1.96776e+06    2.45125e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10906e+02   -2.07367e+02    7.72661e+00    6.28313e-06


DD  step 230594999 load imb.: force 16.2%  pme mesh/force 0.751
           Step           Time
      230595000   461190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07359e+03    1.94399e+04    1.29017e+04    1.18038e+03   -3.07834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72477e+03    9.27987e+04    4.00661e+05   -2.33562e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66239e+04   -2.44759e+06    4.78899e+05   -1.96869e+06    2.45131e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10479e+02   -2.06757e+02   -5.95855e+01    6.24757e-06


DD  step 230599999 load imb.: force 14.0%  pme mesh/force 0.756
           Step           Time
      230600000   461200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97927e+03    1.95950e+04    1.30470e+04    1.20296e+03   -3.01523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99229e+03    9.31474e+04    3.98151e+05   -2.33530e+04   -2.97559e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66081e+04   -2.44724e+06    4.82406e+05   -1.96483e+06    2.45136e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12753e+02   -2.06700e+02   -6.16224e+01    6.35490e-06


DD  step 230604999 load imb.: force 13.9%  pme mesh/force 0.700
           Step           Time
      230605000   461210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04799e+03    1.93286e+04    1.31150e+04    1.14869e+03   -3.15798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76156e+03    9.35425e+04    3.98923e+05   -2.33805e+04   -2.97544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63291e+04   -2.44678e+06    4.79142e+05   -1.96764e+06    2.45143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.07186e+02   -6.87400e+01    6.37070e-06


DD  step 230609999 load imb.: force 14.8%  pme mesh/force 0.775
           Step           Time
      230610000   461220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16635e+03    1.93110e+04    1.30445e+04    1.08903e+03   -3.09862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94556e+03    9.23850e+04    4.00586e+05   -2.34083e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66618e+04   -2.44616e+06    4.78284e+05   -1.96788e+06    2.45148e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10080e+02   -2.07678e+02    5.04579e+01    6.27431e-06


DD  step 230614999 load imb.: force 17.3%  pme mesh/force 0.750
           Step           Time
      230615000   461230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97557e+03    1.95185e+04    1.30884e+04    1.15653e+03   -3.11935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75329e+03    9.25176e+04    4.03440e+05   -2.33611e+04   -2.98040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65611e+04   -2.44787e+06    4.80274e+05   -1.96759e+06    2.45154e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.06842e+02    1.00612e+02    6.15085e-06


DD  step 230619999 load imb.: force 15.2%  pme mesh/force 0.775
           Step           Time
      230620000   461240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09061e+03    1.91088e+04    1.33288e+04    1.14756e+03   -3.17846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90820e+03    9.29762e+04    3.99543e+05   -2.33713e+04   -2.97445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64561e+04   -2.44544e+06    4.80175e+05   -1.96527e+06    2.45160e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11306e+02   -2.07023e+02   -7.03572e+00    6.17703e-06


DD  step 230624999 load imb.: force 16.6%  pme mesh/force 0.766
           Step           Time
      230625000   461250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21265e+03    1.89658e+04    1.31530e+04    1.19807e+03   -3.10675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83409e+03    9.28590e+04    4.02229e+05   -2.33739e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65069e+04   -2.44772e+06    4.77749e+05   -1.96997e+06    2.45165e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09733e+02   -2.07069e+02   -2.02026e-02    6.51420e-06


DD  step 230629999 load imb.: force 14.5%  pme mesh/force 0.722
           Step           Time
      230630000   461260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06973e+03    1.99837e+04    1.31041e+04    1.14737e+03   -3.20036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80279e+03    9.28283e+04    4.00807e+05   -2.34027e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61723e+04   -2.44560e+06    4.82178e+05   -1.96343e+06    2.45172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12605e+02   -2.07578e+02    4.13262e+01    6.27429e-06


DD  step 230634999 load imb.: force 15.3%  pme mesh/force 0.736
           Step           Time
      230635000   461270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07776e+03    1.96983e+04    1.30962e+04    1.12153e+03   -3.16046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76210e+03    9.29342e+04    4.01066e+05   -2.33920e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65108e+04   -2.44571e+06    4.81413e+05   -1.96430e+06    2.45178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12109e+02   -2.07389e+02    4.36426e+01    6.36883e-06


DD  step 230639999 load imb.: force 16.7%  pme mesh/force 0.768
           Step           Time
      230640000   461280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86999e+03    1.92776e+04    1.30949e+04    1.21083e+03   -3.09441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95756e+03    9.34222e+04    4.02179e+05   -2.33794e+04   -2.98031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64001e+04   -2.44837e+06    4.77686e+05   -1.97068e+06    2.45183e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.07167e+02    1.04434e+02    6.28582e-06


DD  step 230644999 load imb.: force 15.4%  pme mesh/force 0.747
           Step           Time
      230645000   461290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02801e+03    2.01179e+04    1.28594e+04    1.15890e+03   -3.10388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76697e+03    9.26395e+04    4.00708e+05   -2.33779e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64069e+04   -2.44645e+06    4.79146e+05   -1.96731e+06    2.45189e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.07140e+02   -1.95831e-01    6.33841e-06


DD  step 230649999 load imb.: force 14.0%  pme mesh/force 0.691
           Step           Time
      230650000   461300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06506e+03    1.93306e+04    1.30551e+04    1.19470e+03   -3.23095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02493e+03    9.29013e+04    4.02782e+05   -2.34233e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63148e+04   -2.44699e+06    4.80440e+05   -1.96655e+06    2.45195e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.07944e+02    1.22302e+02    6.29214e-06


DD  step 230654999 load imb.: force 14.4%  pme mesh/force 0.718
           Step           Time
      230655000   461310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77912e+03    1.98644e+04    1.31446e+04    1.19595e+03   -3.16633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80452e+03    9.25512e+04    3.97938e+05   -2.34138e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67055e+04   -2.44786e+06    4.82627e+05   -1.96523e+06    2.45200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12896e+02   -2.07775e+02   -2.36787e+01    6.43526e-06


DD  step 230659999 load imb.: force 17.9%  pme mesh/force 0.750
           Step           Time
      230660000   461320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72907e+03    1.95716e+04    1.30293e+04    1.19519e+03   -3.00438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86108e+03    9.25329e+04    4.00384e+05   -2.33606e+04   -2.97678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65803e+04   -2.44726e+06    4.78724e+05   -1.96854e+06    2.45206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10365e+02   -2.06834e+02    5.08147e+01    6.20095e-06


DD  step 230664999 load imb.: force 14.0%  pme mesh/force 0.711
           Step           Time
      230665000   461330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04874e+03    1.95031e+04    1.32482e+04    1.22012e+03   -3.18554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81477e+03    9.31337e+04    4.01505e+05   -2.34179e+04   -2.98118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63612e+04   -2.44995e+06    4.79377e+05   -1.97057e+06    2.45212e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.07848e+02    4.00406e+01    6.23629e-06


DD  step 230669999 load imb.: force 13.9%  pme mesh/force 0.751
           Step           Time
      230670000   461340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79005e+03    1.94088e+04    1.31192e+04    1.15747e+03   -3.07793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82017e+03    9.28952e+04    3.99603e+05   -2.34072e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67278e+04   -2.44657e+06    4.80204e+05   -1.96637e+06    2.45218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.07659e+02   -3.73131e+01    6.23394e-06


DD  step 230674999 load imb.: force 15.9%  pme mesh/force 0.734
           Step           Time
      230675000   461350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84900e+03    1.92171e+04    1.32574e+04    1.22507e+03   -3.04980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82946e+03    9.30610e+04    3.99970e+05   -2.33559e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64347e+04   -2.44678e+06    4.77899e+05   -1.96888e+06    2.45224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09831e+02   -2.06751e+02   -2.00939e+01    6.37416e-06


DD  step 230679999 load imb.: force 13.4%  pme mesh/force 0.758
           Step           Time
      230680000   461360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89493e+03    1.95175e+04    1.30902e+04    1.14728e+03   -3.08714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76194e+03    9.31564e+04    4.01712e+05   -2.33829e+04   -2.98062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65055e+04   -2.44931e+06    4.77839e+05   -1.97147e+06    2.45230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09792e+02   -2.07228e+02    1.83883e+01    6.30100e-06


DD  step 230684999 load imb.: force 13.5%  pme mesh/force 0.729
           Step           Time
      230685000   461370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15826e+03    1.95323e+04    1.32488e+04    1.18928e+03   -3.04556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83007e+03    9.28809e+04    4.00586e+05   -2.33937e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65329e+04   -2.44636e+06    4.80025e+05   -1.96633e+06    2.45236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.07420e+02    1.38242e+01    6.27852e-06


DD  step 230689999 load imb.: force 13.9%  pme mesh/force 0.743
           Step           Time
      230690000   461380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06232e+03    1.95704e+04    1.30750e+04    1.20688e+03   -3.11521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77564e+03    9.31909e+04    3.99774e+05   -2.34019e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63398e+04   -2.44913e+06    4.80696e+05   -1.96844e+06    2.45242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11643e+02   -2.07565e+02   -4.57892e+01    6.27904e-06


DD  step 230694999 load imb.: force 13.6%  pme mesh/force 0.716
           Step           Time
      230695000   461390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06204e+03    1.95223e+04    1.31738e+04    1.15627e+03   -3.09507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78374e+03    9.25001e+04    3.99271e+05   -2.34185e+04   -2.97329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65509e+04   -2.44478e+06    4.79753e+05   -1.96503e+06    2.45248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11032e+02   -2.07858e+02    1.20269e+01    6.54468e-06


DD  step 230699999 load imb.: force 12.8%  pme mesh/force 0.750
           Step           Time
      230700000   461400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06679e+03    1.89021e+04    1.31128e+04    1.20080e+03   -2.94654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87588e+03    9.30171e+04    3.98934e+05   -2.34246e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62687e+04   -2.44915e+06    4.78391e+05   -1.97076e+06    2.45254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10149e+02   -2.07967e+02   -5.76590e+01    6.22048e-06


DD  step 230704999 load imb.: force 15.6%  pme mesh/force 0.761
           Step           Time
      230705000   461410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99160e+03    1.94899e+04    1.32205e+04    1.24469e+03   -3.07048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84526e+03    9.31316e+04    3.99791e+05   -2.34026e+04   -2.97628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67114e+04   -2.44633e+06    4.79395e+05   -1.96694e+06    2.45259e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10800e+02   -2.07578e+02    2.87302e+01    6.19508e-06


DD  step 230709999 load imb.: force 13.2%  pme mesh/force 0.719
           Step           Time
      230710000   461420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92837e+03    1.93699e+04    1.31311e+04    1.18519e+03   -3.26833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91414e+03    9.34529e+04    4.01896e+05   -2.33930e+04   -2.98113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64227e+04   -2.44949e+06    4.79153e+05   -1.97034e+06    2.45265e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10644e+02   -2.07407e+02    6.64045e+01    6.21270e-06


DD  step 230714999 load imb.: force 17.0%  pme mesh/force 0.746
           Step           Time
      230715000   461430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05550e+03    1.91285e+04    1.31511e+04    1.13784e+03   -3.05705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79931e+03    9.33079e+04    3.99122e+05   -2.33743e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65490e+04   -2.44668e+06    4.78794e+05   -1.96789e+06    2.45271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10410e+02   -2.07076e+02   -4.04297e+01    6.21624e-06


DD  step 230719999 load imb.: force 14.3%  pme mesh/force 0.741
           Step           Time
      230720000   461440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11265e+03    1.94365e+04    1.31120e+04    1.16339e+03   -3.03506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92489e+03    9.31341e+04    3.98045e+05   -2.33712e+04   -2.97676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64034e+04   -2.44884e+06    4.79352e+05   -1.96949e+06    2.45277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10772e+02   -2.07021e+02   -1.02972e+02    6.31187e-06


DD  step 230724999 load imb.: force 13.3%  pme mesh/force 0.741
           Step           Time
      230725000   461450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03955e+03    1.92212e+04    1.31573e+04    1.23088e+03   -3.04552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83850e+03    9.27111e+04    4.01740e+05   -2.34034e+04   -2.97999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63690e+04   -2.44913e+06    4.80193e+05   -1.96893e+06    2.45283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11318e+02   -2.07592e+02    2.75938e+01    6.19549e-06


DD  step 230729999 load imb.: force 13.4%  pme mesh/force 0.710
           Step           Time
      230730000   461460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05028e+03    1.96558e+04    1.30166e+04    1.20892e+03   -3.09275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73879e+03    9.29718e+04    4.00078e+05   -2.34060e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62782e+04   -2.44721e+06    4.79612e+05   -1.96760e+06    2.45289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.07636e+02   -4.70871e+01    6.03114e-06

Writing checkpoint, step 230731950 at Wed Nov  8 03:31:28 2023



DD  step 230734999 load imb.: force 14.7%  pme mesh/force 0.735
           Step           Time
      230735000   461470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91399e+03    1.90466e+04    1.31755e+04    1.19556e+03   -2.94045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75237e+03    9.35918e+04    3.99711e+05   -2.33811e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62346e+04   -2.44880e+06    4.81768e+05   -1.96703e+06    2.45294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12339e+02   -2.07196e+02   -5.81360e+01    6.25467e-06


DD  step 230739999 load imb.: force 14.5%  pme mesh/force 0.731
           Step           Time
      230740000   461480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00936e+03    1.95134e+04    1.31414e+04    1.21025e+03   -3.12025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75143e+03    9.26448e+04    4.02880e+05   -2.33862e+04   -2.98001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63504e+04   -2.44802e+06    4.80552e+05   -1.96746e+06    2.45300e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11551e+02   -2.07286e+02    6.24472e+01    6.24914e-06


DD  step 230744999 load imb.: force 13.2%  pme mesh/force 0.708
           Step           Time
      230745000   461490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04769e+03    1.90024e+04    1.32626e+04    1.24001e+03   -3.22751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89861e+03    9.35666e+04    4.00317e+05   -2.33768e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64985e+04   -2.44617e+06    4.79275e+05   -1.96690e+06    2.45306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10722e+02   -2.07120e+02    1.90981e+01    6.26116e-06


DD  step 230749999 load imb.: force 12.7%  pme mesh/force 0.733
           Step           Time
      230750000   461500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97159e+03    1.91049e+04    1.30316e+04    1.11153e+03   -3.09109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74176e+03    9.32629e+04    4.02923e+05   -2.33890e+04   -2.98189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62401e+04   -2.44999e+06    4.79671e+05   -1.97031e+06    2.45312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.07337e+02    3.41763e+01    6.20109e-06


DD  step 230754999 load imb.: force 13.5%  pme mesh/force 0.740
           Step           Time
      230755000   461510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81683e+03    1.96086e+04    1.30231e+04    1.20369e+03   -3.06826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85216e+03    9.24393e+04    4.00810e+05   -2.34057e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62032e+04   -2.44600e+06    4.78632e+05   -1.96737e+06    2.45318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10306e+02   -2.07631e+02    6.73520e+01    6.26427e-06


DD  step 230759999 load imb.: force 15.5%  pme mesh/force 0.772
           Step           Time
      230760000   461520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82534e+03    1.92450e+04    1.29129e+04    1.12140e+03   -3.03708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83150e+03    9.34623e+04    3.97345e+05   -2.33946e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66026e+04   -2.44801e+06    4.77327e+05   -1.97068e+06    2.45323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09460e+02   -2.07435e+02   -1.10595e+02    6.35013e-06


DD  step 230764999 load imb.: force 14.9%  pme mesh/force 0.710
           Step           Time
      230765000   461530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90134e+03    1.93867e+04    1.31417e+04    1.27065e+03   -3.03152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80746e+03    9.26521e+04    3.99280e+05   -2.33402e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64947e+04   -2.44735e+06    4.79909e+05   -1.96744e+06    2.45329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11133e+02   -2.06472e+02   -5.19263e+01    6.33499e-06


DD  step 230769999 load imb.: force 14.4%  pme mesh/force 0.799
           Step           Time
      230770000   461540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91617e+03    1.92760e+04    1.32680e+04    1.20269e+03   -3.15248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75786e+03    9.26303e+04    4.04362e+05   -2.33624e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64748e+04   -2.44696e+06    4.79610e+05   -1.96735e+06    2.45335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.06866e+02    3.20721e+01    6.38434e-06


DD  step 230774999 load imb.: force 14.6%  pme mesh/force 0.739
           Step           Time
      230775000   461550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88375e+03    1.96379e+04    1.30567e+04    1.17066e+03   -3.14710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83876e+03    9.27057e+04    4.00238e+05   -2.33818e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65488e+04   -2.44644e+06    4.79975e+05   -1.96646e+06    2.45341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.07209e+02    7.24033e+00    6.27406e-06


DD  step 230779999 load imb.: force 14.1%  pme mesh/force 0.764
           Step           Time
      230780000   461560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15262e+03    1.94891e+04    1.31339e+04    1.20274e+03   -2.96893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84382e+03    9.24137e+04    4.01850e+05   -2.33350e+04   -2.97597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65259e+04   -2.44467e+06    4.83749e+05   -1.96092e+06    2.45346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13623e+02   -2.06381e+02    6.48044e+01    6.19096e-06


DD  step 230784999 load imb.: force 16.2%  pme mesh/force 0.760
           Step           Time
      230785000   461570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20829e+03    1.97256e+04    1.31374e+04    1.19400e+03   -3.19993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82861e+03    9.26433e+04    4.00746e+05   -2.33645e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66079e+04   -2.44446e+06    4.80408e+05   -1.96405e+06    2.45352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11457e+02   -2.06902e+02    8.02515e+00    6.22438e-06


DD  step 230789999 load imb.: force 14.8%  pme mesh/force 0.751
           Step           Time
      230790000   461580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99770e+03    1.99011e+04    1.29660e+04    1.18236e+03   -3.08445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75484e+03    9.22064e+04    4.00637e+05   -2.33636e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64391e+04   -2.44848e+06    4.80512e+05   -1.96797e+06    2.45358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11524e+02   -2.06887e+02   -4.55143e+01    6.51344e-06


DD  step 230794999 load imb.: force 14.6%  pme mesh/force 0.751
           Step           Time
      230795000   461590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05086e+03    1.95163e+04    1.30812e+04    1.14936e+03   -3.02741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75744e+03    9.29605e+04    3.98456e+05   -2.33596e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65935e+04   -2.44744e+06    4.78302e+05   -1.96914e+06    2.45364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10092e+02   -2.06816e+02   -9.79538e+01    6.37165e-06


DD  step 230799999 load imb.: force 12.8%  pme mesh/force 0.729
           Step           Time
      230800000   461600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97344e+03    1.94971e+04    1.33146e+04    1.17601e+03   -3.05772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88084e+03    9.28536e+04    4.01071e+05   -2.33779e+04   -2.97761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65670e+04   -2.44671e+06    4.79060e+05   -1.96765e+06    2.45369e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.07140e+02    3.13763e+01    6.30371e-06


DD  step 230804999 load imb.: force 13.7%  pme mesh/force 0.726
           Step           Time
      230805000   461610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34371e+03    1.98828e+04    1.31978e+04    1.17166e+03   -3.23841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74795e+03    9.26625e+04    4.00512e+05   -2.33670e+04   -2.97603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66865e+04   -2.44543e+06    4.80059e+05   -1.96537e+06    2.45376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11231e+02   -2.06947e+02   -1.49686e+01    6.19935e-06


DD  step 230809999 load imb.: force 13.6%  pme mesh/force 0.735
           Step           Time
      230810000   461620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27223e+03    1.92157e+04    1.28656e+04    1.13911e+03   -3.08825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81740e+03    9.27861e+04    4.01731e+05   -2.34157e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63125e+04   -2.44839e+06    4.78813e+05   -1.96957e+06    2.45381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10423e+02   -2.07809e+02    1.48260e+01    6.24048e-06


DD  step 230814999 load imb.: force 14.3%  pme mesh/force 0.739
           Step           Time
      230815000   461630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86022e+03    1.91743e+04    1.31093e+04    1.13816e+03   -3.06928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79328e+03    9.31231e+04    4.00955e+05   -2.33829e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63769e+04   -2.44803e+06    4.79100e+05   -1.96893e+06    2.45386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10609e+02   -2.07228e+02    1.01686e+00    6.25780e-06


DD  step 230819999 load imb.: force 13.4%  pme mesh/force 0.730
           Step           Time
      230820000   461640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12744e+03    1.94025e+04    1.29337e+04    1.13485e+03   -3.07513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81631e+03    9.29422e+04    3.99907e+05   -2.33569e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63607e+04   -2.44654e+06    4.79260e+05   -1.96728e+06    2.45392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.06768e+02    7.10388e+00    6.44977e-06


DD  step 230824999 load imb.: force 13.5%  pme mesh/force 0.741
           Step           Time
      230825000   461650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85401e+03    1.90891e+04    1.29681e+04    1.15224e+03   -3.11956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82248e+03    9.31918e+04    3.99628e+05   -2.33831e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65681e+04   -2.44724e+06    4.78110e+05   -1.96913e+06    2.45398e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.07232e+02    1.64745e+01    6.28182e-06


DD  step 230829999 load imb.: force 16.5%  pme mesh/force 0.753
           Step           Time
      230830000   461660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81891e+03    1.94502e+04    1.31675e+04    1.20581e+03   -3.09819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88972e+03    9.31300e+04    4.00402e+05   -2.34412e+04   -2.97964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62985e+04   -2.44982e+06    4.80230e+05   -1.96959e+06    2.45404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11341e+02   -2.08261e+02    2.72079e+01    6.33880e-06


DD  step 230834999 load imb.: force 15.6%  pme mesh/force 0.728
           Step           Time
      230835000   461670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26238e+03    1.97753e+04    1.30938e+04    1.23577e+03   -3.04724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72228e+03    9.25059e+04    3.95984e+05   -2.33738e+04   -2.97136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65182e+04   -2.44568e+06    4.81565e+05   -1.96412e+06    2.45410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12207e+02   -2.07066e+02   -9.37103e+01    6.24886e-06


DD  step 230839999 load imb.: force 14.1%  pme mesh/force 0.733
           Step           Time
      230840000   461680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00021e+03    1.94639e+04    1.29894e+04    1.18142e+03   -2.95266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83005e+03    9.31128e+04    3.99478e+05   -2.34090e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63008e+04   -2.44911e+06    4.80798e+05   -1.96831e+06    2.45416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.07690e+02    1.95547e+01    6.18075e-06


DD  step 230844999 load imb.: force 13.3%  pme mesh/force 0.711
           Step           Time
      230845000   461690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84642e+03    1.92134e+04    1.31378e+04    1.22443e+03   -3.08576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94007e+03    9.29421e+04    3.99759e+05   -2.33911e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64339e+04   -2.44825e+06    4.81396e+05   -1.96685e+06    2.45421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12098e+02   -2.07373e+02    7.84698e-01    6.33001e-06


DD  step 230849999 load imb.: force 13.1%  pme mesh/force 0.722
           Step           Time
      230850000   461700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82900e+03    1.89277e+04    1.30757e+04    1.19616e+03   -3.12154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87565e+03    9.31600e+04    3.99005e+05   -2.33847e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63589e+04   -2.44785e+06    4.77560e+05   -1.97029e+06    2.45427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09611e+02   -2.07261e+02   -7.15523e+01    6.51186e-06


DD  step 230854999 load imb.: force 13.0%  pme mesh/force 0.714
           Step           Time
      230855000   461710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92768e+03    1.97558e+04    1.30067e+04    1.21837e+03   -3.10856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83035e+03    9.30616e+04    3.98590e+05   -2.33541e+04   -2.97287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66911e+04   -2.44425e+06    4.79326e+05   -1.96492e+06    2.45434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10756e+02   -2.06718e+02   -3.52335e+01    6.46003e-06


DD  step 230859999 load imb.: force 14.4%  pme mesh/force 0.704
           Step           Time
      230860000   461720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75838e+03    1.95859e+04    1.32503e+04    1.21803e+03   -3.20194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81835e+03    9.30701e+04    4.03683e+05   -2.34023e+04   -2.98246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62937e+04   -2.44939e+06    4.80712e+05   -1.96868e+06    2.45439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11654e+02   -2.07572e+02    1.08450e+02    6.36133e-06


DD  step 230864999 load imb.: force 16.6%  pme mesh/force 0.781
           Step           Time
      230865000   461730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25046e+03    1.96395e+04    1.31861e+04    1.20515e+03   -3.18529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66208e+03    9.29134e+04    4.01012e+05   -2.33882e+04   -2.97598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64608e+04   -2.44522e+06    4.81965e+05   -1.96326e+06    2.45446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12467e+02   -2.07321e+02    1.89822e+00    6.30377e-06


DD  step 230869999 load imb.: force 16.3%  pme mesh/force 0.728
           Step           Time
      230870000   461740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05205e+03    1.93870e+04    1.30524e+04    1.16209e+03   -3.13244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76708e+03    9.26049e+04    4.02357e+05   -2.34314e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65664e+04   -2.44511e+06    4.79849e+05   -1.96526e+06    2.45451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11095e+02   -2.08088e+02    8.96934e+01    6.13365e-06


DD  step 230874999 load imb.: force 12.5%  pme mesh/force 0.718
           Step           Time
      230875000   461750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16770e+03    1.95923e+04    1.33066e+04    1.25734e+03   -3.09526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75143e+03    9.26831e+04    4.01395e+05   -2.33918e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62533e+04   -2.44507e+06    4.81255e+05   -1.96382e+06    2.45457e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12006e+02   -2.07386e+02    5.12302e+01    6.26888e-06


DD  step 230879999 load imb.: force 12.8%  pme mesh/force 0.761
           Step           Time
      230880000   461760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06335e+03    1.94782e+04    1.33012e+04    1.12001e+03   -3.13693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89625e+03    9.25403e+04    4.04890e+05   -2.33918e+04   -2.98118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63752e+04   -2.44704e+06    4.81375e+05   -1.96567e+06    2.45462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12084e+02   -2.07387e+02    1.51279e+02    6.28733e-06


DD  step 230884999 load imb.: force 14.0%  pme mesh/force 0.740
           Step           Time
      230885000   461770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08719e+03    1.92984e+04    1.29110e+04    1.18558e+03   -3.07334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74364e+03    9.27950e+04    3.98767e+05   -2.34255e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61015e+04   -2.44865e+06    4.80182e+05   -1.96847e+06    2.45469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11311e+02   -2.07983e+02   -3.76990e+00    6.50009e-06


DD  step 230889999 load imb.: force 13.9%  pme mesh/force 0.697
           Step           Time
      230890000   461780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91873e+03    1.96343e+04    1.32636e+04    1.18512e+03   -3.10132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78776e+03    9.27914e+04    3.99041e+05   -2.33729e+04   -2.97340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64015e+04   -2.44485e+06    4.79351e+05   -1.96550e+06    2.45474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10772e+02   -2.07051e+02    2.06512e-01    6.26160e-06


DD  step 230894999 load imb.: force 13.2%  pme mesh/force 0.694
           Step           Time
      230895000   461790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23408e+03    1.97082e+04    1.29356e+04    1.07868e+03   -3.06302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74830e+03    9.26388e+04    3.98184e+05   -2.33751e+04   -2.97453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67694e+04   -2.44667e+06    4.78892e+05   -1.96778e+06    2.45480e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10474e+02   -2.07090e+02   -8.13566e+01    6.21758e-06


DD  step 230899999 load imb.: force 12.5%  pme mesh/force 0.740
           Step           Time
      230900000   461800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06609e+03    1.95117e+04    1.30766e+04    1.28432e+03   -2.99836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61712e+03    9.29496e+04    3.98999e+05   -2.34159e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65310e+04   -2.44667e+06    4.78877e+05   -1.96779e+06    2.45486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.07812e+02   -4.60202e+01    6.26879e-06


DD  step 230904999 load imb.: force 14.1%  pme mesh/force 0.733
           Step           Time
      230905000   461810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28173e+03    1.96271e+04    1.32213e+04    1.19052e+03   -3.11233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82494e+03    9.24638e+04    3.99891e+05   -2.34234e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67832e+04   -2.44470e+06    4.81035e+05   -1.96366e+06    2.45492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11864e+02   -2.07945e+02   -3.01902e+01    6.36246e-06


DD  step 230909999 load imb.: force 14.1%  pme mesh/force 0.734
           Step           Time
      230910000   461820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95938e+03    1.91066e+04    1.31419e+04    1.17213e+03   -3.09337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85729e+03    9.29541e+04    4.01316e+05   -2.33753e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65212e+04   -2.44704e+06    4.80660e+05   -1.96638e+06    2.45498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11621e+02   -2.07094e+02    7.04167e+01    6.41276e-06


DD  step 230914999 load imb.: force 14.0%  pme mesh/force 0.751
           Step           Time
      230915000   461830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21968e+03    1.95083e+04    1.32996e+04    1.17721e+03   -3.15441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77499e+03    9.23559e+04    3.99967e+05   -2.34223e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65151e+04   -2.44617e+06    4.81435e+05   -1.96474e+06    2.45504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12123e+02   -2.07927e+02    1.53879e+01    6.24184e-06


DD  step 230919999 load imb.: force 15.4%  pme mesh/force 0.764
           Step           Time
      230920000   461840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18134e+03    1.97693e+04    1.32628e+04    1.12946e+03   -2.99697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81819e+03    9.24401e+04    4.01947e+05   -2.33656e+04   -2.97935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66481e+04   -2.44751e+06    4.79926e+05   -1.96759e+06    2.45510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11144e+02   -2.06921e+02   -2.30895e+01    6.28180e-06


DD  step 230924999 load imb.: force 12.5%  pme mesh/force 0.723
           Step           Time
      230925000   461850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11037e+03    1.91053e+04    1.31252e+04    1.22726e+03   -3.14577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73307e+03    9.29789e+04    4.01456e+05   -2.34104e+04   -2.97821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63298e+04   -2.44770e+06    4.80001e+05   -1.96770e+06    2.45515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.07715e+02    1.86293e+01    6.26164e-06


DD  step 230929999 load imb.: force 13.6%  pme mesh/force 0.760
           Step           Time
      230930000   461860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04685e+03    1.92270e+04    1.31555e+04    1.17392e+03   -3.02165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96460e+03    9.30049e+04    4.02146e+05   -2.33826e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64249e+04   -2.44638e+06    4.79893e+05   -1.96649e+06    2.45521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11123e+02   -2.07222e+02    8.87741e+01    6.13808e-06


DD  step 230934999 load imb.: force 18.1%  pme mesh/force 0.778
           Step           Time
      230935000   461870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98100e+03    1.94103e+04    1.31633e+04    1.21798e+03   -3.17111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86042e+03    9.21683e+04    4.02219e+05   -2.33945e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65175e+04   -2.44705e+06    4.79595e+05   -1.96746e+06    2.45527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.07434e+02    7.37632e+01    6.01387e-06


DD  step 230939999 load imb.: force 12.5%  pme mesh/force 0.722
           Step           Time
      230940000   461880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24503e+03    1.94890e+04    1.30355e+04    1.19601e+03   -3.07944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79027e+03    9.24713e+04    4.00533e+05   -2.33641e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64094e+04   -2.44677e+06    4.81502e+05   -1.96527e+06    2.45532e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12166e+02   -2.06895e+02    1.01386e+01    6.26701e-06


DD  step 230944999 load imb.: force 12.9%  pme mesh/force 0.723
           Step           Time
      230945000   461890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14817e+03    1.94183e+04    1.33037e+04    1.33472e+03   -3.07600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84122e+03    9.32437e+04    4.00296e+05   -2.33751e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66422e+04   -2.44524e+06    4.78495e+05   -1.96674e+06    2.45539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10217e+02   -2.07090e+02   -1.41624e+01    6.27459e-06


DD  step 230949999 load imb.: force 14.2%  pme mesh/force 0.733
           Step           Time
      230950000   461900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87801e+03    1.92110e+04    1.29442e+04    1.12560e+03   -3.10102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78410e+03    9.35505e+04    4.03475e+05   -2.33977e+04   -2.98122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64641e+04   -2.44828e+06    4.79578e+05   -1.96871e+06    2.45544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.07490e+02    7.21809e+01    6.28724e-06


DD  step 230954999 load imb.: force 14.4%  pme mesh/force 0.752
           Step           Time
      230955000   461910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33125e+03    1.96239e+04    1.29023e+04    1.17260e+03   -3.09223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87987e+03    9.31079e+04    4.00647e+05   -2.33474e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66798e+04   -2.44566e+06    4.79976e+05   -1.96568e+06    2.45551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11177e+02   -2.06601e+02    1.60675e+01    6.19784e-06


DD  step 230959999 load imb.: force 14.0%  pme mesh/force 0.736
           Step           Time
      230960000   461920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05782e+03    1.92513e+04    1.33082e+04    1.24894e+03   -3.05763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87944e+03    9.34552e+04    3.99283e+05   -2.33721e+04   -2.97425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66742e+04   -2.44452e+06    4.78932e+05   -1.96559e+06    2.45556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.07036e+02   -3.66590e+01    6.21662e-06


DD  step 230964999 load imb.: force 14.7%  pme mesh/force 0.731
           Step           Time
      230965000   461930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93921e+03    1.95818e+04    1.31377e+04    1.22793e+03   -3.03957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84806e+03    9.32861e+04    4.01684e+05   -2.33832e+04   -2.98088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65071e+04   -2.44909e+06    4.80128e+05   -1.96896e+06    2.45562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11276e+02   -2.07234e+02    1.63179e+01    6.16312e-06


DD  step 230969999 load imb.: force 15.5%  pme mesh/force 0.765
           Step           Time
      230970000   461940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98785e+03    1.94777e+04    1.32081e+04    1.23035e+03   -3.15575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77826e+03    9.32330e+04    4.01624e+05   -2.33922e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64841e+04   -2.44738e+06    4.79702e+05   -1.96768e+06    2.45568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11000e+02   -2.07393e+02    9.15900e+01    6.30768e-06


DD  step 230974999 load imb.: force 14.4%  pme mesh/force 0.734
           Step           Time
      230975000   461950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11417e+03    1.91239e+04    1.30668e+04    1.13510e+03   -3.21102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61121e+03    9.31627e+04    3.99328e+05   -2.34131e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65824e+04   -2.44978e+06    4.77830e+05   -1.97195e+06    2.45574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09786e+02   -2.07764e+02   -7.91046e+01    6.11249e-06


DD  step 230979999 load imb.: force 14.9%  pme mesh/force 0.724
           Step           Time
      230980000   461960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01722e+03    1.93150e+04    1.30504e+04    1.17950e+03   -2.99769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77119e+03    9.34494e+04    4.00734e+05   -2.34007e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64535e+04   -2.44919e+06    4.80633e+05   -1.96856e+06    2.45580e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11603e+02   -2.07544e+02   -1.37506e+01    6.05226e-06


DD  step 230984999 load imb.: force 12.2%  pme mesh/force 0.740
           Step           Time
      230985000   461970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79376e+03    1.93437e+04    1.30501e+04    1.19586e+03   -3.08807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70065e+03    9.28111e+04    3.99178e+05   -2.33503e+04   -2.97389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66896e+04   -2.44557e+06    4.78496e+05   -1.96707e+06    2.45585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10218e+02   -2.06651e+02   -3.31436e+01    6.31706e-06


DD  step 230989999 load imb.: force 12.6%  pme mesh/force 0.756
           Step           Time
      230990000   461980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85538e+03    1.92317e+04    1.31305e+04    1.24460e+03   -2.97820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72472e+03    9.31039e+04    3.99919e+05   -2.33669e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65253e+04   -2.44861e+06    4.78983e+05   -1.96962e+06    2.45591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10533e+02   -2.06945e+02   -7.67165e+01    6.04462e-06


DD  step 230994999 load imb.: force 13.0%  pme mesh/force 0.737
           Step           Time
      230995000   461990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81039e+03    1.95366e+04    1.32884e+04    1.22168e+03   -3.18528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89795e+03    9.31301e+04    4.01941e+05   -2.34518e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63585e+04   -2.44654e+06    4.80585e+05   -1.96596e+06    2.45597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11572e+02   -2.08450e+02    1.24394e+02    6.20802e-06


DD  step 230999999 load imb.: force 13.4%  pme mesh/force 0.711
           Step           Time
      231000000   462000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98838e+03    1.90167e+04    1.29604e+04    1.15040e+03   -3.02364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86788e+03    9.33676e+04    4.01747e+05   -2.33941e+04   -2.98042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63623e+04   -2.44937e+06    4.79317e+05   -1.97006e+06    2.45603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.07426e+02    3.06274e+01    6.19288e-06


DD  step 231004999 load imb.: force 12.1%  pme mesh/force 0.713
           Step           Time
      231005000   462010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87954e+03    1.95736e+04    1.30248e+04    1.17105e+03   -3.01691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76177e+03    9.25463e+04    3.97133e+05   -2.33586e+04   -2.97332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65668e+04   -2.44704e+06    4.78955e+05   -1.96808e+06    2.45608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10515e+02   -2.06798e+02   -1.01926e+02    6.30221e-06


DD  step 231009999 load imb.: force 14.3%  pme mesh/force 0.725
           Step           Time
      231010000   462020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20654e+03    1.93665e+04    1.31703e+04    1.15785e+03   -3.14107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78695e+03    9.24545e+04    4.00137e+05   -2.33632e+04   -2.97405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65920e+04   -2.44469e+06    4.80552e+05   -1.96413e+06    2.45614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11551e+02   -2.06879e+02   -2.03851e+01    6.18291e-06


DD  step 231014999 load imb.: force 12.9%  pme mesh/force 0.745
           Step           Time
      231015000   462030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09973e+03    1.95894e+04    1.31196e+04    1.22461e+03   -3.08199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79388e+03    9.18084e+04    3.96999e+05   -2.33433e+04   -2.97248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63228e+04   -2.44694e+06    4.80759e+05   -1.96619e+06    2.45620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11685e+02   -2.06527e+02   -1.32709e+02    6.45367e-06


DD  step 231019999 load imb.: force 12.3%  pme mesh/force 0.712
           Step           Time
      231020000   462040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92759e+03    1.97081e+04    1.30585e+04    1.26066e+03   -3.11293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77495e+03    9.26120e+04    4.02711e+05   -2.33678e+04   -2.97851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64774e+04   -2.44646e+06    4.77568e+05   -1.96889e+06    2.45626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09616e+02   -2.06962e+02    2.12737e+01    6.14527e-06


DD  step 231024999 load imb.: force 13.0%  pme mesh/force 0.707
           Step           Time
      231025000   462050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85818e+03    1.91556e+04    1.30741e+04    1.11792e+03   -3.04770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94199e+03    9.27968e+04    4.01288e+05   -2.34181e+04   -2.98128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64587e+04   -2.45106e+06    4.77807e+05   -1.97325e+06    2.45632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09771e+02   -2.07852e+02    3.19429e+01    6.30501e-06


DD  step 231029999 load imb.: force 14.4%  pme mesh/force 0.716
           Step           Time
      231030000   462060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05292e+03    2.01206e+04    1.28765e+04    1.21821e+03   -3.22223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84286e+03    9.27438e+04    4.03742e+05   -2.34202e+04   -2.98170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62094e+04   -2.44854e+06    4.81097e+05   -1.96744e+06    2.45638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11904e+02   -2.07889e+02    9.63054e+01    6.22451e-06


DD  step 231034999 load imb.: force 14.1%  pme mesh/force 0.738
           Step           Time
      231035000   462070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30302e+03    1.96889e+04    1.30648e+04    1.17686e+03   -3.09193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70877e+03    9.27933e+04    4.01895e+05   -2.33892e+04   -2.98023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64647e+04   -2.44861e+06    4.81605e+05   -1.96701e+06    2.45643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12233e+02   -2.07340e+02   -1.20588e+01    6.25599e-06


DD  step 231039999 load imb.: force 13.2%  pme mesh/force 0.707
           Step           Time
      231040000   462080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84433e+03    1.92450e+04    1.30905e+04    1.16985e+03   -3.10435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83160e+03    9.23431e+04    4.00938e+05   -2.34238e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62011e+04   -2.44922e+06    4.79974e+05   -1.96925e+06    2.45648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11175e+02   -2.07952e+02    5.46151e+01    6.34572e-06


DD  step 231044999 load imb.: force 14.6%  pme mesh/force 0.751
           Step           Time
      231045000   462090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70556e+03    1.93349e+04    1.30116e+04    1.27644e+03   -3.06141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80139e+03    9.29751e+04    4.00022e+05   -2.33948e+04   -2.97955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62323e+04   -2.45064e+06    4.81343e+05   -1.96930e+06    2.45655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12063e+02   -2.07439e+02   -1.25344e+01    6.27613e-06


DD  step 231049999 load imb.: force 13.6%  pme mesh/force 0.762
           Step           Time
      231050000   462100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00392e+03    1.94691e+04    1.30254e+04    1.20728e+03   -3.10348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85166e+03    9.30401e+04    4.01058e+05   -2.33132e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65322e+04   -2.44614e+06    4.79412e+05   -1.96673e+06    2.45661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10811e+02   -2.05995e+02   -3.08770e+01    6.31129e-06


DD  step 231054999 load imb.: force 15.2%  pme mesh/force 0.757
           Step           Time
      231055000   462110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24814e+03    1.94977e+04    1.31103e+04    1.18491e+03   -3.05000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71182e+03    9.27154e+04    4.03536e+05   -2.33606e+04   -2.97978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63928e+04   -2.44679e+06    4.79864e+05   -1.96692e+06    2.45667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11104e+02   -2.06834e+02    4.13630e+01    6.19263e-06


DD  step 231059999 load imb.: force 13.5%  pme mesh/force 0.722
           Step           Time
      231060000   462120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09693e+03    1.93864e+04    1.31722e+04    1.17378e+03   -3.18301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87536e+03    9.27392e+04    4.03292e+05   -2.33795e+04   -2.97931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65182e+04   -2.44662e+06    4.81166e+05   -1.96545e+06    2.45672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11949e+02   -2.07168e+02    9.64926e+01    6.29433e-06


DD  step 231064999 load imb.: force 14.0%  pme mesh/force 0.742
           Step           Time
      231065000   462130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16798e+03    1.91653e+04    1.30632e+04    1.20080e+03   -3.09651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78233e+03    9.25443e+04    4.02970e+05   -2.34595e+04   -2.98344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64818e+04   -2.45162e+06    4.77815e+05   -1.97381e+06    2.45678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09776e+02   -2.08586e+02   -2.07312e+01    6.28317e-06


DD  step 231069999 load imb.: force 14.9%  pme mesh/force 0.751
           Step           Time
      231070000   462140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92440e+03    1.97072e+04    1.30735e+04    1.21307e+03   -3.17387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89017e+03    9.31145e+04    4.01851e+05   -2.34156e+04   -2.97972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65046e+04   -2.44803e+06    4.77726e+05   -1.97030e+06    2.45684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09718e+02   -2.07807e+02    4.87056e+01    6.31419e-06


DD  step 231074999 load imb.: force 15.4%  pme mesh/force 0.726
           Step           Time
      231075000   462150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92780e+03    1.93850e+04    1.31802e+04    1.18044e+03   -3.13701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90427e+03    9.27805e+04    4.01982e+05   -2.34332e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64054e+04   -2.44746e+06    4.77796e+05   -1.96966e+06    2.45690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09764e+02   -2.08119e+02    8.10971e+01    6.32587e-06

Writing checkpoint, step 231075700 at Wed Nov  8 03:46:28 2023



DD  step 231079999 load imb.: force 14.3%  pme mesh/force 0.739
           Step           Time
      231080000   462160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87872e+03    1.94295e+04    1.30975e+04    1.22235e+03   -3.07738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82327e+03    9.29225e+04    4.04222e+05   -2.33894e+04   -2.98087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66488e+04   -2.44709e+06    4.78539e+05   -1.96855e+06    2.45696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10245e+02   -2.07343e+02    1.18483e+02    6.30182e-06


DD  step 231084999 load imb.: force 14.8%  pme mesh/force 0.767
           Step           Time
      231085000   462170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97342e+03    1.90367e+04    1.30708e+04    1.12796e+03   -3.12829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86422e+03    9.29013e+04    3.99372e+05   -2.33598e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65033e+04   -2.44715e+06    4.78177e+05   -1.96898e+06    2.45702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10011e+02   -2.06819e+02   -5.25873e+01    6.30183e-06


DD  step 231089999 load imb.: force 14.5%  pme mesh/force 0.730
           Step           Time
      231090000   462180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21663e+03    1.94210e+04    1.31332e+04    1.20335e+03   -3.10508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85135e+03    9.24972e+04    4.01296e+05   -2.33970e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65986e+04   -2.44695e+06    4.81362e+05   -1.96559e+06    2.45707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12075e+02   -2.07477e+02    5.71617e+01    6.21686e-06


DD  step 231094999 load imb.: force 13.6%  pme mesh/force 0.729
           Step           Time
      231095000   462190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12307e+03    1.94332e+04    1.32633e+04    1.12536e+03   -3.13808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70181e+03    9.34052e+04    4.01186e+05   -2.33908e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64776e+04   -2.44706e+06    4.80378e+05   -1.96669e+06    2.45713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11438e+02   -2.07368e+02   -1.34463e+01    6.22697e-06


DD  step 231099999 load imb.: force 15.4%  pme mesh/force 0.724
           Step           Time
      231100000   462200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12045e+03    1.95918e+04    1.31074e+04    1.17503e+03   -3.05031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79802e+03    9.22020e+04    4.02096e+05   -2.33869e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64320e+04   -2.44950e+06    4.79817e+05   -1.96969e+06    2.45719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11074e+02   -2.07299e+02    3.79254e+01    6.18105e-06


DD  step 231104999 load imb.: force 13.8%  pme mesh/force 0.714
           Step           Time
      231105000   462210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79759e+03    1.97143e+04    1.32012e+04    1.20080e+03   -3.11808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78919e+03    9.26868e+04    4.02409e+05   -2.33985e+04   -2.97946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65831e+04   -2.44759e+06    4.80358e+05   -1.96724e+06    2.45725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11425e+02   -2.07504e+02    1.07285e+02    6.22309e-06


DD  step 231109999 load imb.: force 13.8%  pme mesh/force 0.714
           Step           Time
      231110000   462220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84193e+03    1.96239e+04    1.31692e+04    1.18633e+03   -3.03613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73821e+03    9.31224e+04    4.01373e+05   -2.33922e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65413e+04   -2.44803e+06    4.79042e+05   -1.96899e+06    2.45730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.07394e+02    4.07003e+01    6.25091e-06


DD  step 231114999 load imb.: force 13.6%  pme mesh/force 0.696
           Step           Time
      231115000   462230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96152e+03    1.91175e+04    1.30527e+04    1.26869e+03   -3.15307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81891e+03    9.29399e+04    4.01606e+05   -2.34321e+04   -2.98145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61439e+04   -2.45113e+06    4.77156e+05   -1.97397e+06    2.45737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09349e+02   -2.08100e+02    4.48467e+01    6.22365e-06


DD  step 231119999 load imb.: force 17.4%  pme mesh/force 0.767
           Step           Time
      231120000   462240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07432e+03    1.94317e+04    1.32288e+04    1.27318e+03   -3.05529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80531e+03    9.33740e+04    4.01791e+05   -2.34082e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64437e+04   -2.44395e+06    4.80174e+05   -1.96378e+06    2.45742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.07676e+02    3.87554e+01    6.27038e-06


DD  step 231124999 load imb.: force 15.6%  pme mesh/force 0.719
           Step           Time
      231125000   462250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09266e+03    1.96653e+04    1.30021e+04    1.15848e+03   -3.16707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79045e+03    9.29129e+04    3.97790e+05   -2.34034e+04   -2.97458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64756e+04   -2.44727e+06    4.78945e+05   -1.96832e+06    2.45748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10508e+02   -2.07592e+02   -6.52186e+01    6.28037e-06


DD  step 231129999 load imb.: force 13.4%  pme mesh/force 0.714
           Step           Time
      231130000   462260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05068e+03    1.96296e+04    1.31397e+04    1.22155e+03   -3.08327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69357e+03    9.28726e+04    4.02327e+05   -2.34059e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66340e+04   -2.44272e+06    4.79941e+05   -1.96278e+06    2.45754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11154e+02   -2.07635e+02    7.59675e+01    6.27268e-06


DD  step 231134999 load imb.: force 13.6%  pme mesh/force 0.705
           Step           Time
      231135000   462270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00897e+03    2.00962e+04    1.29279e+04    1.15424e+03   -2.98260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78791e+03    9.25727e+04    4.00954e+05   -2.33754e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65702e+04   -2.44678e+06    4.78219e+05   -1.96856e+06    2.45760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10038e+02   -2.07095e+02   -1.73419e+01    6.24803e-06


DD  step 231139999 load imb.: force 12.2%  pme mesh/force 0.689
           Step           Time
      231140000   462280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16361e+03    1.97919e+04    1.29721e+04    1.20005e+03   -3.10256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86317e+03    9.22402e+04    4.01329e+05   -2.34377e+04   -2.97365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66537e+04   -2.44298e+06    4.82134e+05   -1.96084e+06    2.45765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12576e+02   -2.08199e+02    1.12399e+02    6.32920e-06


DD  step 231144999 load imb.: force 13.7%  pme mesh/force 0.719
           Step           Time
      231145000   462290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03235e+03    1.96718e+04    1.30784e+04    1.22353e+03   -3.04071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75042e+03    9.18912e+04    3.97741e+05   -2.33449e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66086e+04   -2.44739e+06    4.80425e+05   -1.96696e+06    2.45771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11468e+02   -2.06556e+02   -1.29898e+02    6.11226e-06


DD  step 231149999 load imb.: force 15.4%  pme mesh/force 0.727
           Step           Time
      231150000   462300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01081e+03    1.96675e+04    1.31697e+04    1.22205e+03   -3.16494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82779e+03    9.28909e+04    4.00365e+05   -2.33845e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63301e+04   -2.44659e+06    4.79955e+05   -1.96663e+06    2.45777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.07257e+02    3.36133e+01    6.20684e-06


DD  step 231154999 load imb.: force 13.5%  pme mesh/force 0.729
           Step           Time
      231155000   462310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04222e+03    1.97089e+04    1.31274e+04    1.19180e+03   -3.08504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90562e+03    9.28328e+04    3.99271e+05   -2.33817e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67471e+04   -2.44558e+06    4.80497e+05   -1.96508e+06    2.45783e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11515e+02   -2.07207e+02    8.56973e+00    6.36374e-06


DD  step 231159999 load imb.: force 14.8%  pme mesh/force 0.737
           Step           Time
      231160000   462320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89618e+03    1.93268e+04    1.30344e+04    1.22547e+03   -2.94758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83579e+03    9.28005e+04    4.00580e+05   -2.33729e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63875e+04   -2.44894e+06    4.78702e+05   -1.97024e+06    2.45788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10351e+02   -2.07051e+02   -8.12148e+00    6.26565e-06


DD  step 231164999 load imb.: force 13.8%  pme mesh/force 0.706
           Step           Time
      231165000   462330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94134e+03    1.90878e+04    1.31178e+04    1.19922e+03   -3.03031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87278e+03    9.33305e+04    3.99272e+05   -2.33949e+04   -2.97563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66066e+04   -2.44663e+06    4.80508e+05   -1.96612e+06    2.45794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11522e+02   -2.07440e+02   -1.72227e+01    6.32622e-06


DD  step 231169999 load imb.: force 13.7%  pme mesh/force 0.703
           Step           Time
      231170000   462340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04316e+03    1.95499e+04    1.31800e+04    1.17152e+03   -3.11315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84259e+03    9.24368e+04    4.02240e+05   -2.33924e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63169e+04   -2.44750e+06    4.81775e+05   -1.96572e+06    2.45800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12343e+02   -2.07396e+02    1.15739e+01    6.19122e-06


DD  step 231174999 load imb.: force 13.7%  pme mesh/force 0.707
           Step           Time
      231175000   462350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00872e+03    1.95439e+04    1.30560e+04    1.25981e+03   -3.07852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87239e+03    9.25555e+04    3.98544e+05   -2.34061e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64213e+04   -2.44794e+06    4.80797e+05   -1.96714e+06    2.45805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.07639e+02   -2.05661e+01    6.33760e-06


DD  step 231179999 load imb.: force 15.9%  pme mesh/force 0.783
           Step           Time
      231180000   462360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08434e+03    1.96180e+04    1.31729e+04    1.23268e+03   -3.24763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75847e+03    9.27826e+04    4.01109e+05   -2.33726e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63937e+04   -2.44729e+06    4.80963e+05   -1.96633e+06    2.45811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.07046e+02   -1.64319e+01    6.19336e-06


DD  step 231184999 load imb.: force 14.2%  pme mesh/force 0.716
           Step           Time
      231185000   462370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83734e+03    1.95750e+04    1.32904e+04    1.27488e+03   -3.26042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81872e+03    9.36516e+04    3.99950e+05   -2.33623e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64794e+04   -2.44591e+06    4.81021e+05   -1.96488e+06    2.45818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11854e+02   -2.06864e+02   -1.68869e+00    6.27962e-06


DD  step 231189999 load imb.: force 17.5%  pme mesh/force 0.726
           Step           Time
      231190000   462380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94679e+03    1.88485e+04    1.31352e+04    1.13451e+03   -3.05665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93986e+03    9.30800e+04    3.97276e+05   -2.34002e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62951e+04   -2.45057e+06    4.78124e+05   -1.97244e+06    2.45823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09977e+02   -2.07534e+02   -8.18506e+01    6.00478e-06


DD  step 231194999 load imb.: force 13.9%  pme mesh/force 0.708
           Step           Time
      231195000   462390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05846e+03    1.95863e+04    1.30255e+04    1.18187e+03   -3.15466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75804e+03    9.30133e+04    3.98694e+05   -2.33599e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63127e+04   -2.44755e+06    4.78748e+05   -1.96880e+06    2.45829e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.06822e+02   -5.00655e+01    6.21754e-06


DD  step 231199999 load imb.: force 13.9%  pme mesh/force 0.721
           Step           Time
      231200000   462400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82166e+03    1.96377e+04    1.30448e+04    1.20466e+03   -3.05771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80554e+03    9.30454e+04    4.00522e+05   -2.33322e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65544e+04   -2.44754e+06    4.79798e+05   -1.96774e+06    2.45835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11062e+02   -2.06331e+02   -4.28491e+01    6.25946e-06


DD  step 231204999 load imb.: force 13.8%  pme mesh/force 0.727
           Step           Time
      231205000   462410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24833e+03    1.96663e+04    1.31193e+04    1.16351e+03   -3.07168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76232e+03    9.32429e+04    4.00402e+05   -2.33910e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63191e+04   -2.44570e+06    4.82264e+05   -1.96343e+06    2.45841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12660e+02   -2.07372e+02    3.23249e+01    6.22634e-06


DD  step 231209999 load imb.: force 14.3%  pme mesh/force 0.715
           Step           Time
      231210000   462420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08199e+03    1.92917e+04    1.32395e+04    1.17293e+03   -3.09459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95659e+03    9.32588e+04    4.00751e+05   -2.33932e+04   -2.97855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63533e+04   -2.44793e+06    4.78180e+05   -1.96975e+06    2.45846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10012e+02   -2.07410e+02    1.94757e+01    6.21061e-06


DD  step 231214999 load imb.: force 15.2%  pme mesh/force 0.774
           Step           Time
      231215000   462430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29151e+03    1.92652e+04    1.31660e+04    1.18113e+03   -3.08480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76546e+03    9.25996e+04    4.03590e+05   -2.33453e+04   -2.98016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64478e+04   -2.44728e+06    4.78505e+05   -1.96878e+06    2.45852e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10224e+02   -2.06563e+02    3.02271e+01    6.33390e-06


DD  step 231219999 load imb.: force 14.6%  pme mesh/force 0.723
           Step           Time
      231220000   462440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12600e+03    1.93584e+04    1.29197e+04    1.19310e+03   -3.10489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82469e+03    9.26784e+04    4.00596e+05   -2.33294e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67522e+04   -2.44732e+06    4.78228e+05   -1.96909e+06    2.45858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10043e+02   -2.06282e+02   -6.95343e+01    6.11720e-06


DD  step 231224999 load imb.: force 12.6%  pme mesh/force 0.705
           Step           Time
      231225000   462450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98841e+03    1.93965e+04    1.29802e+04    1.17560e+03   -3.11177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85564e+03    9.32047e+04    3.98156e+05   -2.33423e+04   -2.97390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65206e+04   -2.44608e+06    4.78851e+05   -1.96723e+06    2.45864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10448e+02   -2.06510e+02   -4.67522e+01    6.30555e-06


DD  step 231229999 load imb.: force 16.7%  pme mesh/force 0.776
           Step           Time
      231230000   462460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17577e+03    1.93805e+04    1.32490e+04    1.14089e+03   -3.01926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82459e+03    9.28829e+04    4.01182e+05   -2.33843e+04   -2.97718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64905e+04   -2.44626e+06    4.79850e+05   -1.96641e+06    2.45870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11095e+02   -2.07253e+02    1.59764e+01    6.33774e-06


DD  step 231234999 load imb.: force 14.1%  pme mesh/force 0.726
           Step           Time
      231235000   462470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94089e+03    1.96809e+04    1.32708e+04    1.17479e+03   -3.16597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93392e+03    9.33407e+04    4.01173e+05   -2.34337e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64647e+04   -2.44725e+06    4.80280e+05   -1.96697e+06    2.45876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11374e+02   -2.08128e+02    5.82234e+01    6.29051e-06


DD  step 231239999 load imb.: force 14.4%  pme mesh/force 0.704
           Step           Time
      231240000   462480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89595e+03    1.95570e+04    1.31697e+04    1.22306e+03   -3.35880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90986e+03    9.31475e+04    4.00062e+05   -2.33902e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65613e+04   -2.44556e+06    4.79800e+05   -1.96576e+06    2.45881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11063e+02   -2.07358e+02    4.66979e+01    6.17978e-06


DD  step 231244999 load imb.: force 13.7%  pme mesh/force 0.737
           Step           Time
      231245000   462490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12693e+03    1.93807e+04    1.32122e+04    1.22484e+03   -3.18487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78121e+03    9.30452e+04    4.01564e+05   -2.33830e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65942e+04   -2.44701e+06    4.80987e+05   -1.96602e+06    2.45887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.07230e+02    4.72892e+01    6.33897e-06


DD  step 231249999 load imb.: force 12.9%  pme mesh/force 0.700
           Step           Time
      231250000   462500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13800e+03    1.94274e+04    1.32954e+04    1.15588e+03   -3.09693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91784e+03    9.27423e+04    4.02391e+05   -2.34125e+04   -2.98044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66779e+04   -2.44821e+06    4.79410e+05   -1.96880e+06    2.45893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.07753e+02    8.70208e+01    6.21378e-06


DD  step 231254999 load imb.: force 13.6%  pme mesh/force 0.717
           Step           Time
      231255000   462510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95794e+03    1.93915e+04    1.32056e+04    1.27121e+03   -3.12927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73115e+03    9.28090e+04    3.98961e+05   -2.34274e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63575e+04   -2.44829e+06    4.79819e+05   -1.96848e+06    2.45898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11075e+02   -2.08017e+02   -5.02895e+01    6.20851e-06


DD  step 231259999 load imb.: force 16.6%  pme mesh/force 0.734
           Step           Time
      231260000   462520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24608e+03    1.93198e+04    1.34151e+04    1.14095e+03   -3.10508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75958e+03    9.35293e+04    4.01064e+05   -2.33605e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64782e+04   -2.44515e+06    4.79611e+05   -1.96554e+06    2.45904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.06831e+02   -9.94228e+00    6.42359e-06


DD  step 231264999 load imb.: force 14.6%  pme mesh/force 0.733
           Step           Time
      231265000   462530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00124e+03    1.89912e+04    1.31518e+04    1.14529e+03   -3.03841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96205e+03    9.31398e+04    4.01256e+05   -2.33825e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64346e+04   -2.44694e+06    4.79399e+05   -1.96754e+06    2.45910e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10803e+02   -2.07221e+02    4.79899e+01    6.20931e-06


DD  step 231269999 load imb.: force 16.7%  pme mesh/force 0.761
           Step           Time
      231270000   462540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16979e+03    1.94663e+04    1.30100e+04    1.11296e+03   -3.07744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77257e+03    9.28712e+04    4.02526e+05   -2.33822e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64405e+04   -2.44517e+06    4.78347e+05   -1.96682e+06    2.45916e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10121e+02   -2.07217e+02    6.64375e+01    6.13582e-06


DD  step 231274999 load imb.: force 14.3%  pme mesh/force 0.739
           Step           Time
      231275000   462550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07982e+03    1.90948e+04    1.31352e+04    1.15055e+03   -3.11931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90120e+03    9.31625e+04    3.97332e+05   -2.33627e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64917e+04   -2.44914e+06    4.79306e+05   -1.96984e+06    2.45922e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10742e+02   -2.06871e+02   -1.14246e+02    6.16571e-06


DD  step 231279999 load imb.: force 15.5%  pme mesh/force 0.750
           Step           Time
      231280000   462560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94754e+03    1.94128e+04    1.30666e+04    1.17512e+03   -3.06688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02348e+03    9.32311e+04    3.98958e+05   -2.33257e+04   -2.97473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64262e+04   -2.44588e+06    4.78042e+05   -1.96784e+06    2.45927e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09923e+02   -2.06218e+02   -5.64618e+01    6.25235e-06


DD  step 231284999 load imb.: force 14.1%  pme mesh/force 0.743
           Step           Time
      231285000   462570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98012e+03    1.93684e+04    1.31378e+04    1.07236e+03   -3.06128e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83322e+03    9.29317e+04    4.00168e+05   -2.34260e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64349e+04   -2.44874e+06    4.78551e+05   -1.97019e+06    2.45933e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.07991e+02    7.06355e+00    6.08845e-06


DD  step 231289999 load imb.: force 14.4%  pme mesh/force 0.771
           Step           Time
      231290000   462580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92436e+03    1.96077e+04    1.29366e+04    1.13020e+03   -2.94493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82465e+03    9.30301e+04    3.96324e+05   -2.34378e+04   -2.97383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65653e+04   -2.44787e+06    4.79255e+05   -1.96862e+06    2.45939e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.08202e+02   -6.33982e+01    6.26361e-06


DD  step 231294999 load imb.: force 14.5%  pme mesh/force 0.748
           Step           Time
      231295000   462590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98954e+03    1.95664e+04    1.32059e+04    1.20152e+03   -3.02412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81774e+03    9.28870e+04    4.00306e+05   -2.34210e+04   -2.97597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63111e+04   -2.44613e+06    4.80848e+05   -1.96528e+06    2.45944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.07903e+02   -2.84837e+01    6.15223e-06


DD  step 231299999 load imb.: force 15.8%  pme mesh/force 0.748
           Step           Time
      231300000   462600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15044e+03    1.97506e+04    1.31633e+04    1.13959e+03   -3.10818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82216e+03    9.29924e+04    3.99899e+05   -2.33998e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65402e+04   -2.44684e+06    4.82195e+05   -1.96465e+06    2.45950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12616e+02   -2.07527e+02   -2.85800e+01    6.22925e-06


DD  step 231304999 load imb.: force 17.1%  pme mesh/force 0.759
           Step           Time
      231305000   462610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12594e+03    1.93214e+04    1.31509e+04    1.19723e+03   -3.03848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93466e+03    9.30576e+04    3.98218e+05   -2.33427e+04   -2.96963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67025e+04   -2.44130e+06    4.80599e+05   -1.96071e+06    2.45956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11581e+02   -2.06518e+02   -3.83045e+01    6.09371e-06


DD  step 231309999 load imb.: force 13.5%  pme mesh/force 0.712
           Step           Time
      231310000   462620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93747e+03    1.96377e+04    1.32177e+04    1.15906e+03   -3.09138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84566e+03    9.34155e+04    4.01854e+05   -2.33432e+04   -2.98105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66711e+04   -2.44875e+06    4.81675e+05   -1.96708e+06    2.45962e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12279e+02   -2.06526e+02    3.47140e+01    6.06744e-06


DD  step 231314999 load imb.: force 13.1%  pme mesh/force 0.718
           Step           Time
      231315000   462630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94772e+03    1.91689e+04    1.32001e+04    1.20295e+03   -3.13365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75822e+03    9.27913e+04    4.00239e+05   -2.33746e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64987e+04   -2.44959e+06    4.78299e+05   -1.97129e+06    2.45967e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10090e+02   -2.07082e+02   -5.93770e+01    6.12320e-06


DD  step 231319999 load imb.: force 14.1%  pme mesh/force 0.773
           Step           Time
      231320000   462640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83060e+03    1.95157e+04    1.32172e+04    1.14447e+03   -3.06452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89923e+03    9.26409e+04    4.00355e+05   -2.33453e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65031e+04   -2.44701e+06    4.78961e+05   -1.96805e+06    2.45973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.06563e+02   -1.94528e+01    6.03568e-06


DD  step 231324999 load imb.: force 15.1%  pme mesh/force 0.735
           Step           Time
      231325000   462650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03234e+03    1.94030e+04    1.31978e+04    1.14617e+03   -3.19029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85789e+03    9.29174e+04    3.98886e+05   -2.33702e+04   -2.97451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63718e+04   -2.44625e+06    4.79715e+05   -1.96654e+06    2.45979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11008e+02   -2.07004e+02   -5.36528e+01    6.13587e-06


DD  step 231329999 load imb.: force 14.4%  pme mesh/force 0.726
           Step           Time
      231330000   462660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12985e+03    1.92416e+04    1.31848e+04    1.18739e+03   -3.01179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75126e+03    9.28179e+04    4.00401e+05   -2.33492e+04   -2.97678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64628e+04   -2.44697e+06    4.80625e+05   -1.96634e+06    2.45984e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11598e+02   -2.06633e+02   -6.90290e+01    6.16838e-06


DD  step 231334999 load imb.: force 14.0%  pme mesh/force 0.700
           Step           Time
      231335000   462670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77939e+03    1.94187e+04    1.34126e+04    1.14715e+03   -3.17947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83393e+03    9.29803e+04    3.98132e+05   -2.33702e+04   -2.97430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64493e+04   -2.44670e+06    4.79732e+05   -1.96697e+06    2.45990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11019e+02   -2.07004e+02   -6.39200e+01    6.12982e-06


DD  step 231339999 load imb.: force 15.5%  pme mesh/force 0.721
           Step           Time
      231340000   462680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98736e+03    1.96322e+04    1.31640e+04    1.27595e+03   -3.11602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79109e+03    9.27502e+04    4.00233e+05   -2.33842e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64591e+04   -2.44661e+06    4.80534e+05   -1.96607e+06    2.45996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11539e+02   -2.07251e+02   -6.21780e-01    6.14938e-06


DD  step 231344999 load imb.: force 13.3%  pme mesh/force 0.738
           Step           Time
      231345000   462690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12019e+03    1.94589e+04    1.34423e+04    1.23522e+03   -3.04858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88526e+03    9.26277e+04    3.99391e+05   -2.33672e+04   -2.97204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67776e+04   -2.44252e+06    4.78582e+05   -1.96393e+06    2.46002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10273e+02   -2.06950e+02   -9.69254e+00    6.10766e-06


DD  step 231349999 load imb.: force 14.4%  pme mesh/force 0.732
           Step           Time
      231350000   462700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91734e+03    1.94544e+04    1.30439e+04    1.22927e+03   -3.08996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83691e+03    9.30510e+04    3.99700e+05   -2.33431e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65043e+04   -2.44611e+06    4.79331e+05   -1.96678e+06    2.46007e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.06524e+02   -1.06213e+01    6.17144e-06


DD  step 231354999 load imb.: force 16.6%  pme mesh/force 0.744
           Step           Time
      231355000   462710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95290e+03    1.93598e+04    1.31112e+04    1.22526e+03   -3.12827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78634e+03    9.28985e+04    3.99660e+05   -2.34205e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65942e+04   -2.44850e+06    4.79581e+05   -1.96892e+06    2.46013e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10921e+02   -2.07895e+02    1.45844e+01    6.25948e-06


DD  step 231359999 load imb.: force 13.8%  pme mesh/force 0.742
           Step           Time
      231360000   462720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23491e+03    1.98802e+04    1.30290e+04    1.30177e+03   -3.09773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70620e+03    9.29291e+04    4.00911e+05   -2.34001e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65824e+04   -2.44422e+06    4.82380e+05   -1.96184e+06    2.46020e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12736e+02   -2.07533e+02   -1.94626e-01    6.25258e-06


DD  step 231364999 load imb.: force 14.8%  pme mesh/force 0.727
           Step           Time
      231365000   462730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08228e+03    1.95192e+04    1.29943e+04    1.25552e+03   -3.10801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89815e+03    9.27466e+04    3.97941e+05   -2.33380e+04   -2.97345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66466e+04   -2.44581e+06    4.80520e+05   -1.96529e+06    2.46025e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.06434e+02   -9.85575e+01    6.14485e-06


DD  step 231369999 load imb.: force 14.0%  pme mesh/force 0.743
           Step           Time
      231370000   462740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01304e+03    1.97035e+04    1.30833e+04    1.20063e+03   -3.14365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88209e+03    9.25770e+04    4.00590e+05   -2.34038e+04   -2.97701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63260e+04   -2.44718e+06    4.79965e+05   -1.96722e+06    2.46031e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11170e+02   -2.07598e+02    2.13878e+00    6.05717e-06


DD  step 231374999 load imb.: force 13.8%  pme mesh/force 0.727
           Step           Time
      231375000   462750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94906e+03    1.94189e+04    1.31343e+04    1.26210e+03   -3.08673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72852e+03    9.31966e+04    4.01465e+05   -2.33827e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65296e+04   -2.44770e+06    4.77706e+05   -1.96999e+06    2.46037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09705e+02   -2.07225e+02    3.84415e+01    6.14676e-06


DD  step 231379999 load imb.: force 12.8%  pme mesh/force 0.733
           Step           Time
      231380000   462760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90955e+03    1.94426e+04    1.30220e+04    1.15003e+03   -3.03094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68571e+03    9.26762e+04    3.99999e+05   -2.34392e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64525e+04   -2.44952e+06    4.80607e+05   -1.96891e+06    2.46042e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.08227e+02   -2.59367e+01    6.28572e-06


DD  step 231384999 load imb.: force 13.1%  pme mesh/force 0.715
           Step           Time
      231385000   462770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00649e+03    1.93039e+04    1.29576e+04    1.18358e+03   -3.07384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97383e+03    9.31496e+04    3.99634e+05   -2.34147e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64896e+04   -2.44684e+06    4.79968e+05   -1.96687e+06    2.46049e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11172e+02   -2.07791e+02    3.76336e+01    6.21428e-06


DD  step 231389999 load imb.: force 12.4%  pme mesh/force 0.686
           Step           Time
      231390000   462780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17112e+03    1.95543e+04    1.30832e+04    1.11327e+03   -3.05832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71597e+03    9.23597e+04    4.00025e+05   -2.33968e+04   -2.97560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66341e+04   -2.44640e+06    4.77938e+05   -1.96846e+06    2.46055e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09856e+02   -2.07475e+02   -1.78902e+01    6.31805e-06


DD  step 231394999 load imb.: force 13.8%  pme mesh/force 0.761
           Step           Time
      231395000   462790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75002e+03    1.95875e+04    1.30889e+04    1.12633e+03   -3.00833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79892e+03    9.31313e+04    4.02734e+05   -2.34513e+04   -2.98209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64941e+04   -2.44984e+06    4.79566e+05   -1.97028e+06    2.46061e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.08441e+02    5.10583e+01    6.12757e-06


DD  step 231399999 load imb.: force 14.8%  pme mesh/force 0.764
           Step           Time
      231400000   462800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05166e+03    1.92456e+04    1.30576e+04    1.22052e+03   -3.00864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83602e+03    9.29750e+04    4.04165e+05   -2.34268e+04   -2.98472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65543e+04   -2.45104e+06    4.80340e+05   -1.97071e+06    2.46066e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.08006e+02    1.18630e+02    6.35172e-06


DD  step 231404999 load imb.: force 14.2%  pme mesh/force 0.718
           Step           Time
      231405000   462810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85538e+03    1.92728e+04    1.31097e+04    1.20193e+03   -3.14982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83369e+03    9.29224e+04    4.03541e+05   -2.33817e+04   -2.98050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64200e+04   -2.44788e+06    4.79760e+05   -1.96812e+06    2.46072e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11037e+02   -2.07207e+02    1.02714e+02    6.22356e-06


DD  step 231409999 load imb.: force 13.2%  pme mesh/force 0.714
           Step           Time
      231410000   462820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80434e+03    1.95412e+04    1.30114e+04    1.19332e+03   -3.09747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78184e+03    9.33190e+04    3.99716e+05   -2.33428e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66694e+04   -2.44578e+06    4.80361e+05   -1.96542e+06    2.46078e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.06519e+02   -2.10307e+01    6.18413e-06


DD  step 231414999 load imb.: force 16.8%  pme mesh/force 0.767
           Step           Time
      231415000   462830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16026e+03    1.95273e+04    1.29988e+04    1.16422e+03   -2.93615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78714e+03    9.29951e+04    4.00530e+05   -2.33888e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66373e+04   -2.44570e+06    4.78883e+05   -1.96682e+06    2.46084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.07333e+02   -1.30403e+01    6.06221e-06


DD  step 231419999 load imb.: force 12.5%  pme mesh/force 0.723
           Step           Time
      231420000   462840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82794e+03    1.95255e+04    1.29769e+04    1.22224e+03   -3.08096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80318e+03    9.33675e+04    4.00044e+05   -2.34154e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65900e+04   -2.44688e+06    4.79086e+05   -1.96779e+06    2.46089e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10600e+02   -2.07804e+02    1.98421e+01    6.16157e-06

Writing checkpoint, step 231420550 at Wed Nov  8 04:01:28 2023



DD  step 231424999 load imb.: force 13.4%  pme mesh/force 0.743
           Step           Time
      231425000   462850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89507e+03    1.92017e+04    1.30604e+04    1.17898e+03   -3.04835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82306e+03    9.28246e+04    3.99592e+05   -2.33595e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62652e+04   -2.44745e+06    4.79031e+05   -1.96842e+06    2.46095e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10564e+02   -2.06814e+02   -5.84945e+01    6.31304e-06


DD  step 231429999 load imb.: force 15.4%  pme mesh/force 0.744
           Step           Time
      231430000   462860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08078e+03    1.91804e+04    1.31179e+04    1.19297e+03   -3.03813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88992e+03    9.28342e+04    4.00389e+05   -2.33737e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65825e+04   -2.44690e+06    4.80331e+05   -1.96656e+06    2.46101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11407e+02   -2.07065e+02    2.84305e+01    6.24115e-06


DD  step 231434999 load imb.: force 14.1%  pme mesh/force 0.737
           Step           Time
      231435000   462870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18171e+03    1.91853e+04    1.31228e+04    1.11388e+03   -3.08732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83143e+03    9.26554e+04    4.02207e+05   -2.33867e+04   -2.98110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63453e+04   -2.44994e+06    4.77075e+05   -1.97286e+06    2.46107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09297e+02   -2.07296e+02    2.60439e+01    6.08509e-06


DD  step 231439999 load imb.: force 13.9%  pme mesh/force 0.710
           Step           Time
      231440000   462880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10751e+03    1.93365e+04    1.29033e+04    1.06239e+03   -3.00234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76720e+03    9.29764e+04    4.00853e+05   -2.33411e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63678e+04   -2.44667e+06    4.78283e+05   -1.96838e+06    2.46112e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10079e+02   -2.06490e+02   -4.08711e+01    6.15608e-06


DD  step 231444999 load imb.: force 12.5%  pme mesh/force 0.719
           Step           Time
      231445000   462890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21602e+03    1.94326e+04    1.29566e+04    1.14176e+03   -2.95350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85043e+03    9.30721e+04    4.02577e+05   -2.33803e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66095e+04   -2.44416e+06    4.81160e+05   -1.96300e+06    2.46118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11944e+02   -2.07183e+02    1.03091e+02    6.17309e-06


DD  step 231449999 load imb.: force 11.4%  pme mesh/force 0.700
           Step           Time
      231450000   462900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87162e+03    1.98106e+04    1.32224e+04    1.08684e+03   -3.03084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02241e+03    9.31041e+04    3.99924e+05   -2.33806e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66085e+04   -2.44412e+06    4.79425e+05   -1.96469e+06    2.46124e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10820e+02   -2.07188e+02    5.09554e+01    6.06202e-06


DD  step 231454999 load imb.: force 12.6%  pme mesh/force 0.726
           Step           Time
      231455000   462910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18333e+03    1.92841e+04    1.30104e+04    1.17062e+03   -3.06051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76975e+03    9.31004e+04    3.98081e+05   -2.33181e+04   -2.97202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64199e+04   -2.44438e+06    4.80947e+05   -1.96343e+06    2.46129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.06083e+02   -7.71386e+01    6.18758e-06


DD  step 231459999 load imb.: force 12.5%  pme mesh/force 0.720
           Step           Time
      231460000   462920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03311e+03    1.95964e+04    1.31126e+04    1.21647e+03   -3.14025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72231e+03    9.30866e+04    3.99111e+05   -2.33802e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67110e+04   -2.44670e+06    4.79452e+05   -1.96725e+06    2.46136e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.07181e+02   -7.00962e+01    6.15748e-06


DD  step 231464999 load imb.: force 12.4%  pme mesh/force 0.749
           Step           Time
      231465000   462930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03816e+03    1.90147e+04    1.29865e+04    1.15263e+03   -3.13620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83942e+03    9.30247e+04    4.00490e+05   -2.33511e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64709e+04   -2.44937e+06    4.80532e+05   -1.96884e+06    2.46141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11537e+02   -2.06665e+02   -2.28238e+01    6.16086e-06


DD  step 231469999 load imb.: force 14.1%  pme mesh/force 0.700
           Step           Time
      231470000   462940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02715e+03    1.98271e+04    1.32267e+04    1.15550e+03   -3.04103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77140e+03    9.26871e+04    4.01266e+05   -2.34127e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64394e+04   -2.44749e+06    4.81738e+05   -1.96576e+06    2.46147e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12319e+02   -2.07756e+02    3.30865e+01    6.18078e-06


DD  step 231474999 load imb.: force 15.6%  pme mesh/force 0.779
           Step           Time
      231475000   462950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21280e+03    1.95727e+04    1.31638e+04    1.16112e+03   -3.07615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72693e+03    9.31786e+04    3.98783e+05   -2.33553e+04   -2.97485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62664e+04   -2.44622e+06    4.81185e+05   -1.96504e+06    2.46153e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.06739e+02   -1.03325e+02    6.16498e-06


DD  step 231479999 load imb.: force 11.6%  pme mesh/force 0.704
           Step           Time
      231480000   462960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85888e+03    1.95234e+04    1.30083e+04    1.09177e+03   -3.11351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79636e+03    9.29454e+04    3.99467e+05   -2.34113e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64051e+04   -2.44731e+06    4.78692e+05   -1.96862e+06    2.46159e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10344e+02   -2.07731e+02    2.03992e+01    6.23595e-06


DD  step 231484999 load imb.: force 14.5%  pme mesh/force 0.698
           Step           Time
      231485000   462970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97240e+03    1.96228e+04    1.31671e+04    1.15769e+03   -3.16871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77497e+03    9.30636e+04    4.00110e+05   -2.34069e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62852e+04   -2.44711e+06    4.79564e+05   -1.96755e+06    2.46164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.07652e+02    6.77356e+00    6.20909e-06


DD  step 231489999 load imb.: force 14.4%  pme mesh/force 0.739
           Step           Time
      231490000   462980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94739e+03    1.95352e+04    1.30352e+04    1.14757e+03   -2.99921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80199e+03    9.26162e+04    4.00669e+05   -2.34452e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66589e+04   -2.44842e+06    4.79657e+05   -1.96876e+06    2.46170e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10970e+02   -2.08332e+02    1.04505e+01    6.16863e-06


DD  step 231494999 load imb.: force 12.5%  pme mesh/force 0.733
           Step           Time
      231495000   462990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94451e+03    1.94209e+04    1.30291e+04    1.27192e+03   -3.12782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86000e+03    9.26058e+04    4.01331e+05   -2.33951e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64558e+04   -2.44797e+06    4.79556e+05   -1.96842e+06    2.46176e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10905e+02   -2.07443e+02    5.79373e+00    6.18355e-06


DD  step 231499999 load imb.: force 12.5%  pme mesh/force 0.682
           Step           Time
      231500000   463000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90678e+03    1.93149e+04    1.29491e+04    1.26949e+03   -3.03369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96575e+03    9.28908e+04    3.98594e+05   -2.33967e+04   -2.97693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66181e+04   -2.44885e+06    4.81053e+05   -1.96780e+06    2.46181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11875e+02   -2.07473e+02   -4.34253e+01    6.11226e-06


DD  step 231504999 load imb.: force 15.5%  pme mesh/force 0.725
           Step           Time
      231505000   463010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64400e+03    1.93346e+04    1.30828e+04    1.27921e+03   -3.09569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94850e+03    9.31087e+04    4.00371e+05   -2.34197e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64828e+04   -2.44666e+06    4.79193e+05   -1.96746e+06    2.46187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10669e+02   -2.07880e+02    7.20594e+01    6.07980e-06


DD  step 231509999 load imb.: force 14.4%  pme mesh/force 0.747
           Step           Time
      231510000   463020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89957e+03    1.94245e+04    1.30793e+04    1.20035e+03   -3.19269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81770e+03    9.28202e+04    3.99707e+05   -2.33546e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63399e+04   -2.44929e+06    4.77476e+05   -1.97182e+06    2.46193e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09556e+02   -2.06728e+02    1.16842e+01    6.12306e-06


DD  step 231514999 load imb.: force 14.1%  pme mesh/force 0.721
           Step           Time
      231515000   463030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78811e+03    1.98057e+04    1.31061e+04    1.06977e+03   -2.99852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89437e+03    9.27147e+04    4.01503e+05   -2.33660e+04   -2.97405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65112e+04   -2.44302e+06    4.79675e+05   -1.96335e+06    2.46199e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10982e+02   -2.06929e+02    7.22138e+01    6.11455e-06


DD  step 231519999 load imb.: force 18.5%  pme mesh/force 0.763
           Step           Time
      231520000   463040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97311e+03    1.89555e+04    1.30983e+04    1.19148e+03   -3.07693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87844e+03    9.31024e+04    4.01162e+05   -2.33737e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68030e+04   -2.44558e+06    4.79631e+05   -1.96595e+06    2.46205e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10953e+02   -2.07066e+02    2.62216e+01    6.20073e-06


DD  step 231524999 load imb.: force 12.4%  pme mesh/force 0.741
           Step           Time
      231525000   463050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95179e+03    1.91919e+04    1.32364e+04    1.10461e+03   -3.09637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86100e+03    9.29477e+04    4.01146e+05   -2.34221e+04   -2.97953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65096e+04   -2.44910e+06    4.77514e+05   -1.97158e+06    2.46211e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09581e+02   -2.07923e+02    4.95836e+01    6.08965e-06


DD  step 231529999 load imb.: force 13.2%  pme mesh/force 0.737
           Step           Time
      231530000   463060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91529e+03    1.95172e+04    1.29568e+04    1.20463e+03   -2.98632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90456e+03    9.26233e+04    3.99920e+05   -2.33952e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64952e+04   -2.44966e+06    4.80181e+05   -1.96948e+06    2.46217e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.07446e+02   -7.60738e+00    5.90578e-06


DD  step 231534999 load imb.: force 12.1%  pme mesh/force 0.730
           Step           Time
      231535000   463070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90575e+03    1.90733e+04    1.31146e+04    1.15706e+03   -3.09590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79206e+03    9.31047e+04    4.02528e+05   -2.33919e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64935e+04   -2.44697e+06    4.79337e+05   -1.96764e+06    2.46222e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10763e+02   -2.07388e+02    3.78919e+01    6.21294e-06


DD  step 231539999 load imb.: force 13.3%  pme mesh/force 0.734
           Step           Time
      231540000   463080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14701e+03    1.95150e+04    1.31588e+04    1.15120e+03   -3.09001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85474e+03    9.28275e+04    4.00157e+05   -2.33878e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65018e+04   -2.44708e+06    4.81437e+05   -1.96564e+06    2.46228e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12124e+02   -2.07315e+02   -2.73679e+00    6.22609e-06


DD  step 231544999 load imb.: force 13.0%  pme mesh/force 0.712
           Step           Time
      231545000   463090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08633e+03    1.95540e+04    1.30136e+04    1.16479e+03   -3.02327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76267e+03    9.25671e+04    4.01283e+05   -2.33884e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65739e+04   -2.44903e+06    4.79617e+05   -1.96941e+06    2.46234e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.07325e+02   -8.67708e+00    6.12186e-06


DD  step 231549999 load imb.: force 14.2%  pme mesh/force 0.754
           Step           Time
      231550000   463100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14382e+03    1.92394e+04    1.31586e+04    1.21345e+03   -3.18797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74821e+03    9.30067e+04    3.99077e+05   -2.32972e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62756e+04   -2.44831e+06    4.77513e+05   -1.97079e+06    2.46240e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09581e+02   -2.05714e+02   -1.21061e+02    6.04677e-06


DD  step 231554999 load imb.: force 13.1%  pme mesh/force 0.682
           Step           Time
      231555000   463110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17042e+03    1.93975e+04    1.30428e+04    1.19721e+03   -3.06935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84034e+03    9.25217e+04    3.99618e+05   -2.33483e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65331e+04   -2.44753e+06    4.78475e+05   -1.96906e+06    2.46245e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10204e+02   -2.06617e+02   -2.79805e+01    6.13896e-06


DD  step 231559999 load imb.: force 14.2%  pme mesh/force 0.712
           Step           Time
      231560000   463120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94159e+03    1.96659e+04    1.31819e+04    1.24140e+03   -3.12062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78278e+03    9.25660e+04    4.00995e+05   -2.33416e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66649e+04   -2.44519e+06    4.80956e+05   -1.96424e+06    2.46251e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.06498e+02    4.99988e+01    5.98482e-06


DD  step 231564999 load imb.: force 14.0%  pme mesh/force 0.692
           Step           Time
      231565000   463130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79828e+03    1.93373e+04    1.31653e+04    1.20652e+03   -3.03376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79532e+03    9.32107e+04    3.99881e+05   -2.33606e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62668e+04   -2.44926e+06    4.78528e+05   -1.97073e+06    2.46257e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.06834e+02   -3.59440e+01    6.10750e-06


DD  step 231569999 load imb.: force 14.0%  pme mesh/force 0.748
           Step           Time
      231570000   463140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99051e+03    1.93917e+04    1.31398e+04    1.16992e+03   -3.15350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77397e+03    9.33265e+04    3.98030e+05   -2.33289e+04   -2.97214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65646e+04   -2.44423e+06    4.78640e+05   -1.96559e+06    2.46263e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10311e+02   -2.06274e+02   -1.35924e+02    6.04181e-06


DD  step 231574999 load imb.: force 14.8%  pme mesh/force 0.736
           Step           Time
      231575000   463150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68756e+03    1.95312e+04    1.29850e+04    1.17178e+03   -3.10199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90276e+03    9.28498e+04    3.99873e+05   -2.33531e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66804e+04   -2.44683e+06    4.80094e+05   -1.96674e+06    2.46268e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.06700e+02   -9.92432e-01    6.09834e-06


DD  step 231579999 load imb.: force 13.9%  pme mesh/force 0.769
           Step           Time
      231580000   463160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13955e+03    1.98101e+04    1.30466e+04    1.15489e+03   -3.03430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77465e+03    9.26970e+04    3.97333e+05   -2.33769e+04   -2.97388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64456e+04   -2.44689e+06    4.79445e+05   -1.96744e+06    2.46274e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.07122e+02   -1.05383e+02    6.17313e-06


DD  step 231584999 load imb.: force 14.4%  pme mesh/force 0.731
           Step           Time
      231585000   463170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26332e+03    1.93907e+04    1.30505e+04    1.16050e+03   -3.00037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80385e+03    9.25149e+04    3.99773e+05   -2.33724e+04   -2.97717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62953e+04   -2.44829e+06    4.79400e+05   -1.96889e+06    2.46280e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10803e+02   -2.07043e+02   -3.69179e+01    6.01296e-06


DD  step 231589999 load imb.: force 15.6%  pme mesh/force 0.739
           Step           Time
      231590000   463180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02780e+03    1.94100e+04    1.29793e+04    1.20119e+03   -3.05337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77944e+03    9.29549e+04    4.00900e+05   -2.33788e+04   -2.98172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64239e+04   -2.45148e+06    4.80010e+05   -1.97147e+06    2.46286e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.07156e+02   -6.94478e+01    6.05105e-06


DD  step 231594999 load imb.: force 13.3%  pme mesh/force 0.736
           Step           Time
      231595000   463190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97912e+03    1.96023e+04    1.30430e+04    1.12462e+03   -3.21173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71689e+03    9.33709e+04    3.98842e+05   -2.33711e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62767e+04   -2.44867e+06    4.79715e+05   -1.96895e+06    2.46291e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11008e+02   -2.07018e+02   -5.93088e+01    6.12458e-06


DD  step 231599999 load imb.: force 12.8%  pme mesh/force 0.726
           Step           Time
      231600000   463200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92995e+03    1.94426e+04    1.31533e+04    1.13223e+03   -3.09309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87331e+03    9.32895e+04    4.00316e+05   -2.33756e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64852e+04   -2.44712e+06    4.79510e+05   -1.96761e+06    2.46297e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.07098e+02    5.28690e+01    6.10233e-06


DD  step 231604999 load imb.: force 16.5%  pme mesh/force 0.734
           Step           Time
      231605000   463210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09138e+03    1.90433e+04    1.29839e+04    1.26553e+03   -3.09009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75744e+03    9.26461e+04    3.96662e+05   -2.33925e+04   -2.97412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62123e+04   -2.44894e+06    4.79382e+05   -1.96956e+06    2.46302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10792e+02   -2.07398e+02   -1.14402e+02    6.04635e-06


DD  step 231609999 load imb.: force 12.5%  pme mesh/force 0.711
           Step           Time
      231610000   463220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85690e+03    1.93772e+04    1.31416e+04    1.22100e+03   -2.98659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91288e+03    9.30444e+04    3.99398e+05   -2.34178e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65455e+04   -2.44742e+06    4.80722e+05   -1.96670e+06    2.46308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11661e+02   -2.07846e+02    7.10619e+00    6.01935e-06


DD  step 231614999 load imb.: force 13.2%  pme mesh/force 0.723
           Step           Time
      231615000   463230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02687e+03    1.93441e+04    1.32282e+04    1.18089e+03   -3.08642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73590e+03    9.21206e+04    4.04245e+05   -2.33764e+04   -2.98109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63992e+04   -2.44827e+06    4.79510e+05   -1.96876e+06    2.46314e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.07113e+02    8.73836e+01    5.98640e-06


DD  step 231619999 load imb.: force 13.8%  pme mesh/force 0.726
           Step           Time
      231620000   463240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11427e+03    1.92240e+04    1.30673e+04    1.18341e+03   -3.02145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74916e+03    9.23731e+04    4.01040e+05   -2.34193e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63348e+04   -2.44913e+06    4.78662e+05   -1.97046e+06    2.46320e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10325e+02   -2.07873e+02   -1.78297e+01    5.95350e-06


DD  step 231624999 load imb.: force 14.7%  pme mesh/force 0.712
           Step           Time
      231625000   463250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89758e+03    1.96874e+04    1.31251e+04    1.18667e+03   -2.97411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77716e+03    9.26246e+04    3.99881e+05   -2.33835e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64454e+04   -2.44610e+06    4.79360e+05   -1.96674e+06    2.46326e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10778e+02   -2.07238e+02    8.02612e-03    6.12012e-06


DD  step 231629999 load imb.: force 13.1%  pme mesh/force 0.701
           Step           Time
      231630000   463260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83731e+03    1.94857e+04    1.30667e+04    1.14395e+03   -2.99741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88899e+03    9.28873e+04    4.03392e+05   -2.33647e+04   -2.98357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66611e+04   -2.45057e+06    4.78344e+05   -1.97222e+06    2.46331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10119e+02   -2.06906e+02    5.25716e+01    6.07350e-06


DD  step 231634999 load imb.: force 12.9%  pme mesh/force 0.710
           Step           Time
      231635000   463270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91826e+03    1.97149e+04    1.29766e+04    1.28138e+03   -3.11199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82297e+03    9.31189e+04    3.99719e+05   -2.33688e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64604e+04   -2.44692e+06    4.82653e+05   -1.96427e+06    2.46337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12912e+02   -2.06978e+02   -3.31558e+01    6.00499e-06


DD  step 231639999 load imb.: force 15.9%  pme mesh/force 0.742
           Step           Time
      231640000   463280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06137e+03    1.92405e+04    1.31727e+04    1.26268e+03   -3.06074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74618e+03    9.25987e+04    4.05236e+05   -2.34109e+04   -2.98268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63437e+04   -2.44849e+06    4.80188e+05   -1.96830e+06    2.46343e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.07723e+02    1.37157e+02    6.27407e-06


DD  step 231644999 load imb.: force 13.9%  pme mesh/force 0.730
           Step           Time
      231645000   463290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06479e+03    1.93072e+04    1.28960e+04    1.25163e+03   -3.04687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72605e+03    9.30373e+04    4.02652e+05   -2.34047e+04   -2.98052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63217e+04   -2.44871e+06    4.78425e+05   -1.97029e+06    2.46349e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10172e+02   -2.07614e+02    4.93269e+01    6.04026e-06


DD  step 231649999 load imb.: force 14.5%  pme mesh/force 0.728
           Step           Time
      231650000   463300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07146e+03    1.96522e+04    1.30684e+04    1.13739e+03   -3.06454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72515e+03    9.30425e+04    4.03922e+05   -2.34499e+04   -2.98314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65408e+04   -2.44950e+06    4.80341e+05   -1.96916e+06    2.46354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.08417e+02    9.33016e+01    6.13666e-06


DD  step 231654999 load imb.: force 14.2%  pme mesh/force 0.755
           Step           Time
      231655000   463310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04126e+03    1.90393e+04    1.30694e+04    1.12015e+03   -3.06474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83566e+03    9.30910e+04    4.00288e+05   -2.34132e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67055e+04   -2.44719e+06    4.78470e+05   -1.96872e+06    2.46360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10201e+02   -2.07764e+02    2.24584e+01    5.97250e-06


DD  step 231659999 load imb.: force 14.2%  pme mesh/force 0.748
           Step           Time
      231660000   463320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03487e+03    1.94265e+04    1.31045e+04    1.28769e+03   -3.19217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82703e+03    9.26339e+04    3.98471e+05   -2.33807e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66717e+04   -2.44856e+06    4.81734e+05   -1.96682e+06    2.46366e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12317e+02   -2.07189e+02   -3.58092e+01    6.15621e-06


DD  step 231664999 load imb.: force 15.0%  pme mesh/force 0.761
           Step           Time
      231665000   463330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85488e+03    1.94829e+04    1.32243e+04    1.14832e+03   -3.01778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87225e+03    9.32659e+04    4.01454e+05   -2.33902e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63924e+04   -2.44558e+06    4.79057e+05   -1.96652e+06    2.46372e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10581e+02   -2.07357e+02    7.09563e+01    6.04599e-06


DD  step 231669999 load imb.: force 14.6%  pme mesh/force 0.736
           Step           Time
      231670000   463340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09990e+03    1.91366e+04    1.30073e+04    1.12749e+03   -3.01341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86446e+03    9.30555e+04    4.00612e+05   -2.34236e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64125e+04   -2.44828e+06    4.79219e+05   -1.96907e+06    2.46377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10686e+02   -2.07949e+02    6.94114e+01    6.13187e-06


DD  step 231674999 load imb.: force 16.2%  pme mesh/force 0.751
           Step           Time
      231675000   463350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04102e+03    1.94746e+04    1.29373e+04    1.19287e+03   -2.99433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90904e+03    9.34409e+04    3.99363e+05   -2.34087e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63253e+04   -2.44683e+06    4.80277e+05   -1.96655e+06    2.46384e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.07686e+02    2.71402e+00    6.06412e-06


DD  step 231679999 load imb.: force 13.5%  pme mesh/force 0.698
           Step           Time
      231680000   463360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01329e+03    1.95924e+04    1.30065e+04    1.20068e+03   -3.03841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91404e+03    9.34079e+04    4.01233e+05   -2.34097e+04   -2.97714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66092e+04   -2.44561e+06    4.78853e+05   -1.96676e+06    2.46390e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.07704e+02    5.16079e+01    5.90953e-06


DD  step 231684999 load imb.: force 14.4%  pme mesh/force 0.757
           Step           Time
      231685000   463370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21517e+03    1.97536e+04    1.31767e+04    1.17489e+03   -3.04952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82571e+03    9.27219e+04    3.98538e+05   -2.33741e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64796e+04   -2.44711e+06    4.81707e+05   -1.96540e+06    2.46395e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12299e+02   -2.07073e+02   -7.90351e+01    6.05259e-06


DD  step 231689999 load imb.: force 14.1%  pme mesh/force 0.769
           Step           Time
      231690000   463380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04588e+03    1.90427e+04    1.32652e+04    1.18021e+03   -3.13460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77485e+03    9.32679e+04    4.01800e+05   -2.33848e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65425e+04   -2.44762e+06    4.80683e+05   -1.96694e+06    2.46401e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11635e+02   -2.07261e+02    2.63224e+01    5.98054e-06


DD  step 231694999 load imb.: force 12.9%  pme mesh/force 0.746
           Step           Time
      231695000   463390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25204e+03    1.88555e+04    1.31225e+04    1.09559e+03   -3.10338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77029e+03    9.30094e+04    3.98355e+05   -2.34105e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64305e+04   -2.45173e+06    4.79496e+05   -1.97224e+06    2.46407e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10866e+02   -2.07716e+02   -1.08578e+02    6.03328e-06


DD  step 231699999 load imb.: force 13.1%  pme mesh/force 0.723
           Step           Time
      231700000   463400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96403e+03    1.94160e+04    1.30750e+04    1.20640e+03   -3.02914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80490e+03    9.36025e+04    3.97890e+05   -2.33806e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64432e+04   -2.44818e+06    4.79805e+05   -1.96838e+06    2.46412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11066e+02   -2.07187e+02   -7.50106e+01    6.07651e-06


DD  step 231704999 load imb.: force 12.8%  pme mesh/force 0.739
           Step           Time
      231705000   463410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03209e+03    1.95940e+04    1.30459e+04    1.11907e+03   -2.92221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88092e+03    9.33796e+04    4.03056e+05   -2.32936e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67965e+04   -2.44570e+06    4.80789e+05   -1.96491e+06    2.46418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11704e+02   -2.05651e+02    4.22984e+01    6.04389e-06


DD  step 231709999 load imb.: force 13.1%  pme mesh/force 0.701
           Step           Time
      231710000   463420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99826e+03    1.93208e+04    1.32394e+04    1.14539e+03   -3.17336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79992e+03    9.29280e+04    3.97657e+05   -2.33882e+04   -2.97173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65431e+04   -2.44466e+06    4.80158e+05   -1.96450e+06    2.46424e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11295e+02   -2.07323e+02   -2.29166e+01    6.02062e-06


DD  step 231714999 load imb.: force 15.2%  pme mesh/force 0.744
           Step           Time
      231715000   463430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10524e+03    1.91786e+04    1.31096e+04    1.25140e+03   -3.03781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80400e+03    9.36313e+04    4.02083e+05   -2.34697e+04   -2.98178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64871e+04   -2.44964e+06    4.77894e+05   -1.97175e+06    2.46430e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09827e+02   -2.08767e+02    9.34492e+01    5.84333e-06


DD  step 231719999 load imb.: force 14.0%  pme mesh/force 0.723
           Step           Time
      231720000   463440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98301e+03    1.95611e+04    1.32524e+04    1.19035e+03   -3.08253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75112e+03    9.24590e+04    4.01084e+05   -2.34107e+04   -2.97872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62883e+04   -2.44865e+06    4.81091e+05   -1.96756e+06    2.46436e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11900e+02   -2.07720e+02   -3.03708e+00    6.00259e-06


DD  step 231724999 load imb.: force 16.0%  pme mesh/force 0.767
           Step           Time
      231725000   463450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92628e+03    1.92600e+04    1.31812e+04    1.13136e+03   -3.05995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80287e+03    9.28270e+04    3.99293e+05   -2.33802e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63733e+04   -2.44876e+06    4.80018e+05   -1.96874e+06    2.46441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11204e+02   -2.07180e+02   -4.72867e+00    6.08108e-06


DD  step 231729999 load imb.: force 14.2%  pme mesh/force 0.734
           Step           Time
      231730000   463460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24522e+03    1.95969e+04    1.29471e+04    1.23798e+03   -3.11965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79972e+03    9.27882e+04    3.98819e+05   -2.33565e+04   -2.97453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65848e+04   -2.44599e+06    4.81139e+05   -1.96485e+06    2.46447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11931e+02   -2.06760e+02   -5.65670e+01    6.10787e-06


DD  step 231734999 load imb.: force 14.1%  pme mesh/force 0.726
           Step           Time
      231735000   463470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11670e+03    1.96681e+04    1.30007e+04    1.10509e+03   -2.93568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85644e+03    9.29433e+04    4.01804e+05   -2.34016e+04   -2.97989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65704e+04   -2.44816e+06    4.80090e+05   -1.96807e+06    2.46454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11251e+02   -2.07559e+02    4.32590e+01    6.02189e-06


DD  step 231739999 load imb.: force 14.7%  pme mesh/force 0.730
           Step           Time
      231740000   463480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01302e+03    1.91577e+04    1.29644e+04    1.22758e+03   -3.07358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85631e+03    9.35446e+04    4.01142e+05   -2.33448e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63563e+04   -2.44610e+06    4.80117e+05   -1.96598e+06    2.46459e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11269e+02   -2.06554e+02    6.09872e+00    6.07602e-06


DD  step 231744999 load imb.: force 14.4%  pme mesh/force 0.734
           Step           Time
      231745000   463490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92857e+03    1.95136e+04    1.29999e+04    1.21434e+03   -3.12287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85181e+03    9.30989e+04    3.99172e+05   -2.33953e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65699e+04   -2.44709e+06    4.79236e+05   -1.96785e+06    2.46465e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.07448e+02   -4.05622e+01    5.89925e-06


DD  step 231749999 load imb.: force 13.8%  pme mesh/force 0.712
           Step           Time
      231750000   463500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99441e+03    1.92651e+04    1.29235e+04    1.16080e+03   -3.07384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83916e+03    9.32059e+04    3.99225e+05   -2.34095e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62694e+04   -2.44878e+06    4.81426e+05   -1.96736e+06    2.46471e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12117e+02   -2.07699e+02   -1.79190e+01    6.15719e-06


DD  step 231754999 load imb.: force 12.9%  pme mesh/force 0.737
           Step           Time
      231755000   463510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05816e+03    2.01512e+04    1.29305e+04    1.14633e+03   -3.03805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73416e+03    9.28287e+04    4.00964e+05   -2.33922e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63968e+04   -2.44583e+06    4.80986e+05   -1.96485e+06    2.46476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11832e+02   -2.07393e+02    3.72649e+01    5.99421e-06


DD  step 231759999 load imb.: force 14.9%  pme mesh/force 0.765
           Step           Time
      231760000   463520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98519e+03    1.95232e+04    1.31736e+04    1.28697e+03   -3.07719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90740e+03    9.27169e+04    4.01259e+05   -2.34148e+04   -2.98203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65757e+04   -2.45109e+06    4.77003e+05   -1.97409e+06    2.46483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09250e+02   -2.07793e+02   -3.93387e-01    6.02375e-06


DD  step 231764999 load imb.: force 14.1%  pme mesh/force 0.704
           Step           Time
      231765000   463530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17326e+03    1.93898e+04    1.29742e+04    1.15673e+03   -3.02435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77176e+03    9.31427e+04    4.00036e+05   -2.34000e+04   -2.97548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66149e+04   -2.44565e+06    4.78977e+05   -1.96667e+06    2.46488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10529e+02   -2.07530e+02   -1.18350e+00    6.06192e-06

Writing checkpoint, step 231767900 at Wed Nov  8 04:16:28 2023



DD  step 231769999 load imb.: force 13.3%  pme mesh/force 0.696
           Step           Time
      231770000   463540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08606e+03    1.93191e+04    1.31021e+04    1.23246e+03   -2.99063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91810e+03    9.28520e+04    3.97538e+05   -2.33565e+04   -2.97158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64324e+04   -2.44445e+06    4.79498e+05   -1.96495e+06    2.46494e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10867e+02   -2.06761e+02   -5.80975e+01    5.88383e-06


DD  step 231774999 load imb.: force 15.1%  pme mesh/force 0.737
           Step           Time
      231775000   463550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88974e+03    1.95187e+04    1.31717e+04    1.15396e+03   -2.95246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81974e+03    9.35719e+04    3.97973e+05   -2.33740e+04   -2.97464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64660e+04   -2.44640e+06    4.79915e+05   -1.96649e+06    2.46500e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11137e+02   -2.07070e+02   -1.23805e+02    6.11217e-06


DD  step 231779999 load imb.: force 14.8%  pme mesh/force 0.697
           Step           Time
      231780000   463560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98119e+03    1.98051e+04    1.30597e+04    1.15714e+03   -3.09984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88425e+03    9.28588e+04    3.99035e+05   -2.34138e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64007e+04   -2.44626e+06    4.80195e+05   -1.96606e+06    2.46506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11319e+02   -2.07775e+02   -1.29419e+01    6.14274e-06


DD  step 231784999 load imb.: force 13.8%  pme mesh/force 0.695
           Step           Time
      231785000   463570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95138e+03    1.92415e+04    1.32702e+04    1.18403e+03   -3.05845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78310e+03    9.30516e+04    4.02213e+05   -2.33749e+04   -2.97954e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66306e+04   -2.44765e+06    4.79541e+05   -1.96811e+06    2.46512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10895e+02   -2.07087e+02   -6.82709e-01    5.87434e-06


DD  step 231789999 load imb.: force 13.8%  pme mesh/force 0.732
           Step           Time
      231790000   463580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98986e+03    1.90807e+04    1.30496e+04    1.17486e+03   -2.96141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81705e+03    9.26649e+04    4.04614e+05   -2.33959e+04   -2.98128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66996e+04   -2.44754e+06    4.80931e+05   -1.96661e+06    2.46517e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11796e+02   -2.07458e+02    8.97883e+01    6.12574e-06


DD  step 231794999 load imb.: force 12.8%  pme mesh/force 0.721
           Step           Time
      231795000   463590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90694e+03    1.94223e+04    1.30921e+04    1.19091e+03   -3.03655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86509e+03    9.30647e+04    3.98564e+05   -2.33978e+04   -2.97388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65188e+04   -2.44569e+06    4.79572e+05   -1.96612e+06    2.46523e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10915e+02   -2.07493e+02   -3.37897e+01    5.96174e-06


DD  step 231799999 load imb.: force 12.4%  pme mesh/force 0.713
           Step           Time
      231800000   463600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10572e+03    1.93041e+04    1.31771e+04    1.26003e+03   -3.11474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91032e+03    9.35026e+04    3.98241e+05   -2.33826e+04   -2.97263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63251e+04   -2.44431e+06    4.80306e+05   -1.96400e+06    2.46529e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.07223e+02   -1.06923e+01    6.07784e-06


DD  step 231804999 load imb.: force 14.4%  pme mesh/force 0.752
           Step           Time
      231805000   463610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79538e+03    1.91675e+04    1.29891e+04    1.21457e+03   -3.05585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92014e+03    9.34922e+04    4.01237e+05   -2.33782e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64236e+04   -2.44779e+06    4.79955e+05   -1.96783e+06    2.46535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.07145e+02    5.26754e+01    6.14343e-06


DD  step 231809999 load imb.: force 13.5%  pme mesh/force 0.725
           Step           Time
      231810000   463620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87281e+03    1.96740e+04    1.29503e+04    1.12750e+03   -3.11462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86158e+03    9.27812e+04    4.02489e+05   -2.33333e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66087e+04   -2.44661e+06    4.79380e+05   -1.96723e+06    2.46540e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10791e+02   -2.06351e+02    3.05279e+01    6.24935e-06


DD  step 231814999 load imb.: force 14.6%  pme mesh/force 0.730
           Step           Time
      231815000   463630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74346e+03    1.95360e+04    1.29699e+04    1.14540e+03   -3.06799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90289e+03    9.29351e+04    4.01359e+05   -2.33985e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66520e+04   -2.44485e+06    4.80666e+05   -1.96418e+06    2.46546e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11624e+02   -2.07505e+02    1.36758e+02    6.15898e-06


DD  step 231819999 load imb.: force 14.3%  pme mesh/force 0.744
           Step           Time
      231820000   463640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97790e+03    1.92965e+04    1.30484e+04    1.19069e+03   -3.01845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82732e+03    9.30155e+04    4.03032e+05   -2.33940e+04   -2.98145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62666e+04   -2.44921e+06    4.77348e+05   -1.97186e+06    2.46552e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09473e+02   -2.07424e+02    4.85975e+01    6.14511e-06


DD  step 231824999 load imb.: force 12.5%  pme mesh/force 0.688
           Step           Time
      231825000   463650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95644e+03    1.94705e+04    1.30200e+04    1.24131e+03   -2.98266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85154e+03    9.34251e+04    3.98152e+05   -2.33152e+04   -2.97240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65033e+04   -2.44407e+06    4.78617e+05   -1.96546e+06    2.46558e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10296e+02   -2.06032e+02   -7.62544e+01    6.07469e-06


DD  step 231829999 load imb.: force 13.0%  pme mesh/force 0.690
           Step           Time
      231830000   463660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90283e+03    1.97547e+04    1.31676e+04    1.08682e+03   -3.16416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85456e+03    9.28251e+04    3.99272e+05   -2.33715e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63396e+04   -2.44737e+06    4.81207e+05   -1.96617e+06    2.46563e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11975e+02   -2.07027e+02   -6.30379e+00    6.16630e-06


DD  step 231834999 load imb.: force 13.9%  pme mesh/force 0.712
           Step           Time
      231835000   463670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92667e+03    1.92864e+04    1.30690e+04    1.20737e+03   -2.93076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79824e+03    9.33478e+04    4.04717e+05   -2.33770e+04   -2.98198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64314e+04   -2.44750e+06    4.79718e+05   -1.96778e+06    2.46569e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11010e+02   -2.07124e+02    1.10060e+02    6.29053e-06


DD  step 231839999 load imb.: force 11.9%  pme mesh/force 0.710
           Step           Time
      231840000   463680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09036e+03    1.90986e+04    1.32891e+04    1.19995e+03   -3.14811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78429e+03    9.31630e+04    4.01261e+05   -2.34215e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65051e+04   -2.44719e+06    4.79885e+05   -1.96731e+06    2.46575e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11118e+02   -2.07913e+02    6.87413e+01    6.25922e-06


DD  step 231844999 load imb.: force 14.5%  pme mesh/force 0.732
           Step           Time
      231845000   463690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97192e+03    1.96053e+04    1.31809e+04    1.21675e+03   -3.07681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78101e+03    9.27183e+04    4.01897e+05   -2.33496e+04   -2.98068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64199e+04   -2.44932e+06    4.80899e+05   -1.96842e+06    2.46581e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.06638e+02    6.87643e+00    6.40970e-06


DD  step 231849999 load imb.: force 12.2%  pme mesh/force 0.725
           Step           Time
      231850000   463700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03188e+03    1.93447e+04    1.29630e+04    1.18874e+03   -3.04513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85545e+03    9.36938e+04    3.99682e+05   -2.33071e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66858e+04   -2.44600e+06    4.80484e+05   -1.96551e+06    2.46587e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11506e+02   -2.05889e+02   -9.95662e+01    6.20928e-06


DD  step 231854999 load imb.: force 13.2%  pme mesh/force 0.674
           Step           Time
      231855000   463710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03300e+03    1.91997e+04    1.31655e+04    1.21161e+03   -3.10038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86520e+03    9.32578e+04    3.97278e+05   -2.33232e+04   -2.97393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66394e+04   -2.44670e+06    4.76518e+05   -1.97018e+06    2.46592e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08935e+02   -2.06172e+02   -1.21309e+02    6.21786e-06


DD  step 231859999 load imb.: force 13.6%  pme mesh/force 0.738
           Step           Time
      231860000   463720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91671e+03    1.95777e+04    1.31601e+04    1.15511e+03   -3.09710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76210e+03    9.31956e+04    3.98353e+05   -2.33634e+04   -2.97381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64205e+04   -2.44573e+06    4.80867e+05   -1.96486e+06    2.46598e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11755e+02   -2.06884e+02   -5.06975e+01    6.23212e-06


DD  step 231864999 load imb.: force 13.2%  pme mesh/force 0.694
           Step           Time
      231865000   463730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88656e+03    1.92945e+04    1.29336e+04    1.20003e+03   -3.00785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82412e+03    9.28439e+04    3.98312e+05   -2.33321e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64602e+04   -2.44863e+06    4.80181e+05   -1.96844e+06    2.46604e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.06330e+02   -8.05099e+01    6.24049e-06


DD  step 231869999 load imb.: force 13.6%  pme mesh/force 0.696
           Step           Time
      231870000   463740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95628e+03    1.92910e+04    1.30677e+04    1.31982e+03   -2.96155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83435e+03    9.28653e+04    4.01364e+05   -2.33987e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65084e+04   -2.44822e+06    4.80651e+05   -1.96757e+06    2.46610e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11614e+02   -2.07507e+02    1.28769e+01    6.32297e-06


DD  step 231874999 load imb.: force 12.8%  pme mesh/force 0.697
           Step           Time
      231875000   463750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80243e+03    1.96438e+04    1.30715e+04    1.22773e+03   -2.98087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80014e+03    9.27726e+04    4.02195e+05   -2.33635e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64943e+04   -2.44597e+06    4.80977e+05   -1.96499e+06    2.46616e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11826e+02   -2.06885e+02    5.39763e+01    6.28499e-06


DD  step 231879999 load imb.: force 15.1%  pme mesh/force 0.745
           Step           Time
      231880000   463760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05021e+03    1.95112e+04    1.28043e+04    1.19244e+03   -2.93154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74223e+03    9.31987e+04    3.99038e+05   -2.34021e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65588e+04   -2.44870e+06    4.79640e+05   -1.96906e+06    2.46622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10959e+02   -2.07567e+02   -7.49470e+01    6.26327e-06


DD  step 231884999 load imb.: force 12.3%  pme mesh/force 0.714
           Step           Time
      231885000   463770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82607e+03    1.94827e+04    1.31539e+04    1.22389e+03   -3.00637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86829e+03    9.32056e+04    3.98596e+05   -2.33169e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65584e+04   -2.44580e+06    4.80002e+05   -1.96580e+06    2.46627e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11194e+02   -2.06061e+02   -4.91203e+01    6.22984e-06


DD  step 231889999 load imb.: force 12.4%  pme mesh/force 0.681
           Step           Time
      231890000   463780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92346e+03    1.98066e+04    1.31690e+04    1.25366e+03   -3.08235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80104e+03    9.29430e+04    4.00361e+05   -2.33930e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64341e+04   -2.44501e+06    4.77991e+05   -1.96702e+06    2.46633e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09890e+02   -2.07407e+02   -2.06260e+01    6.08989e-06


DD  step 231894999 load imb.: force 13.5%  pme mesh/force 0.732
           Step           Time
      231895000   463790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98008e+03    1.95578e+04    1.29825e+04    1.11990e+03   -2.97607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85269e+03    9.31954e+04    4.05432e+05   -2.33801e+04   -2.98225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63976e+04   -2.44709e+06    4.79747e+05   -1.96734e+06    2.46639e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.07179e+02    1.95409e+02    6.06851e-06


DD  step 231899999 load imb.: force 13.3%  pme mesh/force 0.702
           Step           Time
      231900000   463800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14936e+03    1.92959e+04    1.31307e+04    1.08143e+03   -3.08017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81289e+03    9.27514e+04    3.98292e+05   -2.34061e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65686e+04   -2.44675e+06    4.78434e+05   -1.96831e+06    2.46645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10177e+02   -2.07639e+02   -4.27352e+01    6.12269e-06


DD  step 231904999 load imb.: force 13.0%  pme mesh/force 0.675
           Step           Time
      231905000   463810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85075e+03    1.91623e+04    1.31436e+04    1.05980e+03   -3.10194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78168e+03    9.33506e+04    4.01187e+05   -2.34448e+04   -2.98261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65876e+04   -2.45203e+06    4.79536e+05   -1.97250e+06    2.46651e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10892e+02   -2.08325e+02   -8.45795e-02    6.24482e-06


DD  step 231909999 load imb.: force 17.0%  pme mesh/force 0.729
           Step           Time
      231910000   463820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00777e+03    1.97195e+04    1.30578e+04    1.11497e+03   -3.16037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77141e+03    9.28458e+04    3.99427e+05   -2.34142e+04   -2.97731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64086e+04   -2.44853e+06    4.80382e+05   -1.96815e+06    2.46656e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11440e+02   -2.07783e+02   -2.56493e+01    6.31363e-06


DD  step 231914999 load imb.: force 12.6%  pme mesh/force 0.684
           Step           Time
      231915000   463830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84895e+03    1.95792e+04    1.31408e+04    1.16663e+03   -3.16317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75344e+03    9.28152e+04    3.97627e+05   -2.33815e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65085e+04   -2.44788e+06    4.80149e+05   -1.96774e+06    2.46662e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11289e+02   -2.07203e+02   -1.29556e+02    6.32812e-06


DD  step 231919999 load imb.: force 14.7%  pme mesh/force 0.722
           Step           Time
      231920000   463840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05403e+03    1.95248e+04    1.30956e+04    1.27292e+03   -3.12601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88888e+03    9.29175e+04    4.00008e+05   -2.34367e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64182e+04   -2.44677e+06    4.80178e+05   -1.96660e+06    2.46668e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11308e+02   -2.08181e+02    4.95288e+01    6.35824e-06


DD  step 231924999 load imb.: force 13.0%  pme mesh/force 0.724
           Step           Time
      231925000   463850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97300e+03    1.88735e+04    1.29879e+04    1.11477e+03   -2.99238e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81273e+03    9.31180e+04    4.01680e+05   -2.33985e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64525e+04   -2.44931e+06    4.78105e+05   -1.97120e+06    2.46674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09964e+02   -2.07504e+02    3.66222e+01    6.24546e-06


DD  step 231929999 load imb.: force 12.6%  pme mesh/force 0.720
           Step           Time
      231930000   463860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10513e+03    1.94335e+04    1.29585e+04    1.21004e+03   -3.01669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69480e+03    9.26563e+04    4.00582e+05   -2.33729e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67616e+04   -2.44377e+06    4.77463e+05   -1.96631e+06    2.46680e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09548e+02   -2.07052e+02   -3.40663e+01    6.22641e-06


DD  step 231934999 load imb.: force 13.5%  pme mesh/force 0.714
           Step           Time
      231935000   463870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76986e+03    1.95919e+04    1.30410e+04    1.23276e+03   -2.99725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85058e+03    9.31745e+04    4.02629e+05   -2.34254e+04   -2.98267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64138e+04   -2.45039e+06    4.80502e+05   -1.96988e+06    2.46685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.07981e+02    1.07836e+02    6.05175e-06


DD  step 231939999 load imb.: force 13.0%  pme mesh/force 0.700
           Step           Time
      231940000   463880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06785e+03    1.93379e+04    1.31211e+04    1.25292e+03   -3.09835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81251e+03    9.29774e+04    3.99217e+05   -2.33892e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64841e+04   -2.44568e+06    4.81835e+05   -1.96384e+06    2.46691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12382e+02   -2.07339e+02   -2.65067e+01    6.31528e-06


DD  step 231944999 load imb.: force 15.3%  pme mesh/force 0.720
           Step           Time
      231945000   463890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01799e+03    1.93763e+04    1.28862e+04    1.19053e+03   -3.12878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83586e+03    9.29820e+04    3.98747e+05   -2.33859e+04   -2.97453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65107e+04   -2.44650e+06    4.79724e+05   -1.96678e+06    2.46696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11014e+02   -2.07282e+02   -3.96290e+01    6.22687e-06


DD  step 231949999 load imb.: force 12.0%  pme mesh/force 0.715
           Step           Time
      231950000   463900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17691e+03    1.95743e+04    1.31174e+04    1.14340e+03   -3.09966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91148e+03    9.27525e+04    4.03169e+05   -2.33642e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66460e+04   -2.44690e+06    4.81229e+05   -1.96567e+06    2.46702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11989e+02   -2.06897e+02    5.59858e+01    6.11542e-06


DD  step 231954999 load imb.: force 11.8%  pme mesh/force 0.688
           Step           Time
      231955000   463910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06259e+03    2.00133e+04    1.29466e+04    1.19738e+03   -3.14140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78624e+03    9.31770e+04    4.02626e+05   -2.33858e+04   -2.98062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62841e+04   -2.44805e+06    4.82438e+05   -1.96562e+06    2.46708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12773e+02   -2.07279e+02    5.16964e+01    6.33636e-06


DD  step 231959999 load imb.: force 14.0%  pme mesh/force 0.717
           Step           Time
      231960000   463920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17456e+03    1.95837e+04    1.29623e+04    1.16876e+03   -3.05741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71071e+03    9.30706e+04    4.00606e+05   -2.34171e+04   -2.97701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62619e+04   -2.44695e+06    4.80373e+05   -1.96658e+06    2.46714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11434e+02   -2.07833e+02   -2.82044e+01    6.21778e-06


DD  step 231964999 load imb.: force 12.3%  pme mesh/force 0.706
           Step           Time
      231965000   463930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79668e+03    1.95583e+04    1.30847e+04    1.20682e+03   -3.12392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83354e+03    9.30617e+04    3.98161e+05   -2.33648e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64875e+04   -2.44684e+06    4.77481e+05   -1.96936e+06    2.46720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09560e+02   -2.06907e+02   -6.68600e+01    6.35266e-06


DD  step 231969999 load imb.: force 12.0%  pme mesh/force 0.700
           Step           Time
      231970000   463940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02702e+03    1.97120e+04    1.29912e+04    1.19180e+03   -3.01429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85023e+03    9.27929e+04    3.98664e+05   -2.33270e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65487e+04   -2.44623e+06    4.79245e+05   -1.96698e+06    2.46726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.06240e+02   -6.32895e+01    6.02993e-06


DD  step 231974999 load imb.: force 12.6%  pme mesh/force 0.717
           Step           Time
      231975000   463950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99827e+03    1.97215e+04    1.31369e+04    1.15074e+03   -3.02064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82639e+03    9.29235e+04    3.98570e+05   -2.33886e+04   -2.97154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65866e+04   -2.44304e+06    4.79365e+05   -1.96367e+06    2.46731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10781e+02   -2.07329e+02   -1.35786e+01    6.12322e-06


DD  step 231979999 load imb.: force 12.5%  pme mesh/force 0.733
           Step           Time
      231980000   463960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00136e+03    1.93892e+04    1.30504e+04    1.19436e+03   -3.04869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90266e+03    9.32728e+04    3.95904e+05   -2.33325e+04   -2.97221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65240e+04   -2.44635e+06    4.79778e+05   -1.96657e+06    2.46737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11049e+02   -2.06337e+02   -1.57078e+02    6.22469e-06


DD  step 231984999 load imb.: force 11.9%  pme mesh/force 0.687
           Step           Time
      231985000   463970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91799e+03    1.94088e+04    1.30351e+04    1.14061e+03   -3.06544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88883e+03    9.30240e+04    4.00293e+05   -2.34124e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65252e+04   -2.44731e+06    4.78004e+05   -1.96931e+06    2.46743e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09898e+02   -2.07751e+02   -1.60359e+01    6.28344e-06


DD  step 231989999 load imb.: force 12.4%  pme mesh/force 0.716
           Step           Time
      231990000   463980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13551e+03    1.94218e+04    1.29607e+04    1.20015e+03   -3.18508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85499e+03    9.28159e+04    4.03644e+05   -2.33886e+04   -2.98030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65865e+04   -2.44725e+06    4.80130e+05   -1.96712e+06    2.46749e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.07329e+02    5.97276e+01    6.12403e-06


DD  step 231994999 load imb.: force 13.0%  pme mesh/force 0.735
           Step           Time
      231995000   463990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03432e+03    1.93912e+04    1.30407e+04    1.15524e+03   -3.04210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78706e+03    9.31745e+04    4.00268e+05   -2.33704e+04   -2.98021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66159e+04   -2.45015e+06    4.79140e+05   -1.97101e+06    2.46755e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10635e+02   -2.07007e+02   -3.65226e+01    6.09610e-06


DD  step 231999999 load imb.: force 12.3%  pme mesh/force 0.681
           Step           Time
      232000000   464000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19223e+03    1.94109e+04    1.31382e+04    1.28370e+03   -3.11330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79950e+03    9.26617e+04    3.98206e+05   -2.33631e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64304e+04   -2.44672e+06    4.79247e+05   -1.96747e+06    2.46760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.06878e+02   -6.85911e+01    6.13853e-06


DD  step 232004999 load imb.: force 11.9%  pme mesh/force 0.686
           Step           Time
      232005000   464010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92718e+03    1.90936e+04    1.29908e+04    1.24015e+03   -3.04677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82560e+03    9.31258e+04    4.00479e+05   -2.34124e+04   -2.98057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62720e+04   -2.45107e+06    4.80727e+05   -1.97035e+06    2.46766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11664e+02   -2.07750e+02   -4.64346e+01    6.24078e-06


DD  step 232009999 load imb.: force 13.3%  pme mesh/force 0.634
           Step           Time
      232010000   464020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96150e+03    1.94715e+04    1.30062e+04    1.12916e+03   -3.14264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82271e+03    9.30942e+04    4.02717e+05   -2.33994e+04   -2.98050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64482e+04   -2.44839e+06    4.81230e+05   -1.96716e+06    2.46772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11990e+02   -2.07520e+02    7.49176e+01    6.33105e-06


DD  step 232014999 load imb.: force 13.4%  pme mesh/force 0.710
           Step           Time
      232015000   464030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97563e+03    1.95801e+04    1.30749e+04    1.08589e+03   -3.02093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84685e+03    9.33829e+04    3.98932e+05   -2.34083e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65395e+04   -2.44615e+06    4.79747e+05   -1.96640e+06    2.46778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.07677e+02    2.24235e+01    6.14739e-06


DD  step 232019999 load imb.: force 11.2%  pme mesh/force 0.689
           Step           Time
      232020000   464040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77717e+03    1.90679e+04    1.29624e+04    1.20368e+03   -3.02666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89388e+03    9.30583e+04    4.01333e+05   -2.33923e+04   -2.98019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63813e+04   -2.44993e+06    4.80309e+05   -1.96963e+06    2.46783e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.07395e+02    2.57352e+01    6.24856e-06


DD  step 232024999 load imb.: force 13.0%  pme mesh/force 0.716
           Step           Time
      232025000   464050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07105e+03    1.93143e+04    1.31199e+04    1.26494e+03   -3.02084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68804e+03    9.27073e+04    3.97658e+05   -2.34221e+04   -2.97475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64984e+04   -2.44787e+06    4.79019e+05   -1.96885e+06    2.46789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.07923e+02   -8.35718e+01    6.34581e-06


DD  step 232029999 load imb.: force 14.9%  pme mesh/force 0.746
           Step           Time
      232030000   464060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98761e+03    1.92570e+04    1.31605e+04    1.12242e+03   -3.07088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85627e+03    9.30522e+04    3.99646e+05   -2.33959e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64755e+04   -2.44892e+06    4.80275e+05   -1.96865e+06    2.46795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.07459e+02   -1.52690e+01    6.34120e-06


DD  step 232034999 load imb.: force 12.4%  pme mesh/force 0.668
           Step           Time
      232035000   464070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00828e+03    1.93002e+04    1.32295e+04    1.18671e+03   -3.05034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81670e+03    9.30797e+04    4.02787e+05   -2.33463e+04   -2.97935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66826e+04   -2.44665e+06    4.79447e+05   -1.96721e+06    2.46801e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10834e+02   -2.06582e+02    4.00583e+01    6.07569e-06


DD  step 232039999 load imb.: force 13.0%  pme mesh/force 0.675
           Step           Time
      232040000   464080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13231e+03    1.92713e+04    1.31539e+04    1.14363e+03   -3.10511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78948e+03    9.26692e+04    4.00275e+05   -2.33919e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64669e+04   -2.44782e+06    4.79527e+05   -1.96829e+06    2.46806e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.07387e+02   -5.13983e+01    6.23868e-06


DD  step 232044999 load imb.: force 12.5%  pme mesh/force 0.718
           Step           Time
      232045000   464090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15792e+03    1.93241e+04    1.30770e+04    1.18206e+03   -3.07255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74176e+03    9.27822e+04    4.00642e+05   -2.33919e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64063e+04   -2.44502e+06    4.80815e+05   -1.96421e+06    2.46812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11721e+02   -2.07388e+02    6.97679e+00    6.16615e-06


DD  step 232049999 load imb.: force 11.0%  pme mesh/force 0.698
           Step           Time
      232050000   464100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04215e+03    1.94009e+04    1.29670e+04    1.18029e+03   -3.00835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79457e+03    9.28959e+04    4.01535e+05   -2.34251e+04   -2.98130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64324e+04   -2.45048e+06    4.77144e+05   -1.97334e+06    2.46818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09341e+02   -2.07976e+02    5.31847e+01    6.11442e-06


DD  step 232054999 load imb.: force 12.6%  pme mesh/force 0.721
           Step           Time
      232055000   464110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90737e+03    1.92136e+04    1.30299e+04    1.13230e+03   -3.08723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88305e+03    9.32905e+04    4.00030e+05   -2.33895e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63208e+04   -2.44900e+06    4.80476e+05   -1.96852e+06    2.46823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11501e+02   -2.07346e+02   -2.58893e+01    6.40617e-06


DD  step 232059999 load imb.: force 13.9%  pme mesh/force 0.713
           Step           Time
      232060000   464120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94402e+03    1.93048e+04    1.30600e+04    1.11753e+03   -2.95157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79419e+03    9.28528e+04    4.00775e+05   -2.34188e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66047e+04   -2.44618e+06    4.78067e+05   -1.96812e+06    2.46829e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09940e+02   -2.07864e+02    3.60319e+01    6.24093e-06


DD  step 232064999 load imb.: force 13.1%  pme mesh/force 0.727
           Step           Time
      232065000   464130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93718e+03    1.94507e+04    1.29553e+04    1.15220e+03   -3.01766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78830e+03    9.23797e+04    3.99160e+05   -2.33574e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63123e+04   -2.44849e+06    4.80015e+05   -1.96847e+06    2.46835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11202e+02   -2.06776e+02   -8.24163e+01    6.01472e-06


DD  step 232069999 load imb.: force 12.7%  pme mesh/force 0.739
           Step           Time
      232070000   464140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88665e+03    1.94030e+04    1.29795e+04    1.21869e+03   -3.05433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81430e+03    9.31174e+04    4.01654e+05   -2.34088e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66068e+04   -2.44734e+06    4.79318e+05   -1.96802e+06    2.46841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.07686e+02    6.63358e+01    6.18650e-06


DD  step 232074999 load imb.: force 12.2%  pme mesh/force 0.734
           Step           Time
      232075000   464150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91449e+03    1.96324e+04    1.29422e+04    1.26733e+03   -3.07011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72775e+03    9.31187e+04    3.99320e+05   -2.33617e+04   -2.97424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64545e+04   -2.44529e+06    4.81148e+05   -1.96415e+06    2.46847e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11937e+02   -2.06853e+02   -2.73021e+01    6.31324e-06


DD  step 232079999 load imb.: force 13.1%  pme mesh/force 0.739
           Step           Time
      232080000   464160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29763e+03    1.95349e+04    1.29305e+04    1.16175e+03   -3.03000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85151e+03    9.26214e+04    4.00016e+05   -2.33730e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65076e+04   -2.44571e+06    4.81434e+05   -1.96428e+06    2.46853e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12122e+02   -2.07053e+02   -1.05022e+01    6.16396e-06


DD  step 232084999 load imb.: force 14.0%  pme mesh/force 0.740
           Step           Time
      232085000   464170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32852e+03    1.92512e+04    1.30582e+04    1.10763e+03   -2.93152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71776e+03    9.26239e+04    3.99713e+05   -2.33838e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64720e+04   -2.44574e+06    4.80553e+05   -1.96519e+06    2.46859e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11551e+02   -2.07244e+02   -7.08192e+01    6.28414e-06


DD  step 232089999 load imb.: force 12.3%  pme mesh/force 0.714
           Step           Time
      232090000   464180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91906e+03    1.92633e+04    1.30026e+04    1.18331e+03   -2.97843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82408e+03    9.26559e+04    4.00082e+05   -2.33974e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63860e+04   -2.44506e+06    4.78878e+05   -1.96618e+06    2.46864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10465e+02   -2.07484e+02   -2.29933e+01    6.25575e-06


DD  step 232094999 load imb.: force 12.5%  pme mesh/force 0.680
           Step           Time
      232095000   464190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89019e+03    1.99570e+04    1.29556e+04    1.23018e+03   -3.05127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93176e+03    9.24851e+04    3.98693e+05   -2.34320e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65471e+04   -2.44573e+06    4.79845e+05   -1.96589e+06    2.46870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11092e+02   -2.08097e+02    8.20433e+01    6.30152e-06


DD  step 232099999 load imb.: force 14.1%  pme mesh/force 0.749
           Step           Time
      232100000   464200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94459e+03    2.00326e+04    1.29183e+04    1.19040e+03   -2.98197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80924e+03    9.23646e+04    3.99003e+05   -2.34149e+04   -2.97383e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62871e+04   -2.44568e+06    4.79924e+05   -1.96575e+06    2.46876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11143e+02   -2.07795e+02    4.97482e+01    6.30630e-06


DD  step 232104999 load imb.: force 12.4%  pme mesh/force 0.730
           Step           Time
      232105000   464210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93457e+03    1.96597e+04    1.30603e+04    1.18045e+03   -3.01788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89331e+03    9.26014e+04    4.00883e+05   -2.33767e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64443e+04   -2.44677e+06    4.83086e+05   -1.96368e+06    2.46881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13193e+02   -2.07118e+02    2.02553e+01    6.25592e-06


DD  step 232109999 load imb.: force 13.2%  pme mesh/force 0.732
           Step           Time
      232110000   464220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94641e+03    1.94506e+04    1.32123e+04    1.10716e+03   -3.02201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82328e+03    9.28256e+04    4.00907e+05   -2.33957e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63127e+04   -2.44760e+06    4.78888e+05   -1.96872e+06    2.46888e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10472e+02   -2.07454e+02    4.35731e+01    6.07097e-06


DD  step 232114999 load imb.: force 13.0%  pme mesh/force 0.718
           Step           Time
      232115000   464230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07670e+03    1.95411e+04    1.31435e+04    1.18347e+03   -2.97329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92337e+03    9.26778e+04    4.02401e+05   -2.34257e+04   -2.98070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65837e+04   -2.44857e+06    4.80234e+05   -1.96834e+06    2.46894e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11344e+02   -2.07986e+02    1.45080e+02    6.17043e-06

Writing checkpoint, step 232118750 at Wed Nov  8 04:31:28 2023



DD  step 232119999 load imb.: force 14.2%  pme mesh/force 0.712
           Step           Time
      232120000   464240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14921e+03    1.93845e+04    1.29947e+04    1.24281e+03   -3.03837e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81815e+03    9.31585e+04    4.00060e+05   -2.34020e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66624e+04   -2.44569e+06    4.81113e+05   -1.96457e+06    2.46899e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11914e+02   -2.07566e+02   -2.43042e-01    6.27976e-06


DD  step 232124999 load imb.: force 15.6%  pme mesh/force 0.754
           Step           Time
      232125000   464250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97302e+03    1.92227e+04    1.29842e+04    1.22942e+03   -2.99274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76636e+03    9.29547e+04    4.00176e+05   -2.34058e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64739e+04   -2.44748e+06    4.82714e+05   -1.96476e+06    2.46904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12952e+02   -2.07634e+02    1.66255e+00    6.28315e-06


DD  step 232129999 load imb.: force 11.1%  pme mesh/force 0.689
           Step           Time
      232130000   464260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02888e+03    1.91393e+04    1.30134e+04    1.18047e+03   -2.89785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75539e+03    9.27823e+04    4.01663e+05   -2.33693e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65580e+04   -2.44853e+06    4.78067e+05   -1.97046e+06    2.46911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09939e+02   -2.06987e+02   -4.24579e+01    6.17994e-06


DD  step 232134999 load imb.: force 13.3%  pme mesh/force 0.765
           Step           Time
      232135000   464270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83819e+03    1.95225e+04    1.30988e+04    1.19760e+03   -3.09795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86419e+03    9.25192e+04    4.01255e+05   -2.34111e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64683e+04   -2.44614e+06    4.81252e+05   -1.96489e+06    2.46916e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12004e+02   -2.07728e+02    8.05179e+01    6.36701e-06


DD  step 232139999 load imb.: force 11.9%  pme mesh/force 0.725
           Step           Time
      232140000   464280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18968e+03    1.91638e+04    1.32413e+04    1.09236e+03   -2.97741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77527e+03    9.30088e+04    4.00318e+05   -2.33743e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64976e+04   -2.44652e+06    4.79730e+05   -1.96679e+06    2.46922e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.07077e+02   -3.67068e+01    6.15784e-06


DD  step 232144999 load imb.: force 11.9%  pme mesh/force 0.714
           Step           Time
      232145000   464290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69915e+03    1.92950e+04    1.29062e+04    1.22642e+03   -3.01069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76910e+03    9.29353e+04    4.03031e+05   -2.34152e+04   -2.98180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62232e+04   -2.45014e+06    4.78237e+05   -1.97190e+06    2.46928e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10050e+02   -2.07800e+02    4.27305e+01    6.34622e-06


DD  step 232149999 load imb.: force 15.0%  pme mesh/force 0.782
           Step           Time
      232150000   464300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04150e+03    1.94880e+04    1.30284e+04    1.19102e+03   -3.07293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76466e+03    9.31995e+04    3.98309e+05   -2.33374e+04   -2.97346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66416e+04   -2.44521e+06    4.80922e+05   -1.96429e+06    2.46934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11791e+02   -2.06424e+02   -3.40095e+01    6.18626e-06


DD  step 232154999 load imb.: force 12.9%  pme mesh/force 0.709
           Step           Time
      232155000   464310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97095e+03    1.92659e+04    1.31236e+04    1.23745e+03   -3.13660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76676e+03    9.26549e+04    4.01323e+05   -2.34267e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62032e+04   -2.44978e+06    4.79021e+05   -1.97076e+06    2.46940e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.08005e+02   -4.16581e+01    6.19837e-06


DD  step 232159999 load imb.: force 12.0%  pme mesh/force 0.691
           Step           Time
      232160000   464320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24948e+03    1.97339e+04    1.31875e+04    1.26312e+03   -3.10774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84184e+03    9.29668e+04    4.02172e+05   -2.33828e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63953e+04   -2.44530e+06    4.82416e+05   -1.96289e+06    2.46946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12759e+02   -2.07227e+02    7.50842e+01    6.45439e-06


DD  step 232164999 load imb.: force 11.9%  pme mesh/force 0.677
           Step           Time
      232165000   464330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99051e+03    1.89587e+04    1.32995e+04    1.20752e+03   -3.12620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71521e+03    9.33703e+04    3.99169e+05   -2.33417e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63925e+04   -2.44763e+06    4.79790e+05   -1.96784e+06    2.46951e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11056e+02   -2.06500e+02   -6.85729e+01    6.14022e-06


DD  step 232169999 load imb.: force 12.5%  pme mesh/force 0.681
           Step           Time
      232170000   464340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12064e+03    1.95324e+04    1.30619e+04    1.19517e+03   -2.96685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86170e+03    9.27578e+04    3.99536e+05   -2.33682e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63437e+04   -2.44605e+06    4.80675e+05   -1.96538e+06    2.46958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.06968e+02   -2.70354e+01    6.13863e-06


DD  step 232174999 load imb.: force 11.4%  pme mesh/force 0.703
           Step           Time
      232175000   464350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15189e+03    1.98561e+04    1.29770e+04    1.20553e+03   -2.99400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80675e+03    9.30187e+04    3.99596e+05   -2.33953e+04   -2.97193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64392e+04   -2.44227e+06    4.81111e+05   -1.96116e+06    2.46964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11913e+02   -2.07448e+02    5.88191e+01    6.31247e-06


DD  step 232179999 load imb.: force 12.1%  pme mesh/force 0.698
           Step           Time
      232180000   464360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14236e+03    1.97566e+04    1.31462e+04    1.13107e+03   -3.10372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70325e+03    9.26307e+04    4.00747e+05   -2.33705e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65554e+04   -2.44489e+06    4.79521e+05   -1.96537e+06    2.46969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10882e+02   -2.07010e+02    1.31546e+01    6.26427e-06


DD  step 232184999 load imb.: force 11.4%  pme mesh/force 0.704
           Step           Time
      232185000   464370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89459e+03    1.96306e+04    1.32242e+04    1.29360e+03   -3.02105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85168e+03    9.28518e+04    4.02313e+05   -2.34305e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65557e+04   -2.44547e+06    4.80633e+05   -1.96484e+06    2.46975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11603e+02   -2.08071e+02    8.17606e+01    6.15570e-06


DD  step 232189999 load imb.: force 12.0%  pme mesh/force 0.680
           Step           Time
      232190000   464380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06768e+03    1.93858e+04    1.31095e+04    1.09359e+03   -3.02932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76518e+03    9.29210e+04    3.97530e+05   -2.33809e+04   -2.97356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65891e+04   -2.44651e+06    4.80929e+05   -1.96558e+06    2.46981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11795e+02   -2.07193e+02   -7.86191e+01    6.28301e-06


DD  step 232194999 load imb.: force 14.3%  pme mesh/force 0.703
           Step           Time
      232195000   464390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04350e+03    1.90852e+04    1.31740e+04    1.16383e+03   -3.06492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87229e+03    9.32026e+04    4.02549e+05   -2.34010e+04   -2.98292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64628e+04   -2.45083e+06    4.78841e+05   -1.97199e+06    2.46987e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10441e+02   -2.07548e+02    4.42743e+01    6.12891e-06


DD  step 232199999 load imb.: force 13.5%  pme mesh/force 0.710
           Step           Time
      232200000   464400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88867e+03    1.93362e+04    1.28415e+04    1.25095e+03   -3.00306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82031e+03    9.28571e+04    4.00098e+05   -2.33765e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63472e+04   -2.44711e+06    4.80505e+05   -1.96661e+06    2.46992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11520e+02   -2.07114e+02   -6.89407e-01    6.20150e-06


DD  step 232204999 load imb.: force 10.8%  pme mesh/force 0.670
           Step           Time
      232205000   464410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19040e+03    1.95878e+04    1.30591e+04    1.18217e+03   -2.99968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84113e+03    9.33271e+04    4.00558e+05   -2.34012e+04   -2.97848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64826e+04   -2.44765e+06    4.77892e+05   -1.96976e+06    2.46998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09826e+02   -2.07553e+02   -8.73505e-01    6.07000e-06


DD  step 232209999 load imb.: force 12.5%  pme mesh/force 0.694
           Step           Time
      232210000   464420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87686e+03    1.93554e+04    1.30218e+04    1.21178e+03   -3.03896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75036e+03    9.32346e+04    4.02359e+05   -2.33814e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66662e+04   -2.44715e+06    4.78886e+05   -1.96826e+06    2.47003e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10470e+02   -2.07202e+02    3.91143e+01    6.34036e-06


DD  step 232214999 load imb.: force 10.4%  pme mesh/force 0.660
           Step           Time
      232215000   464430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04265e+03    1.94828e+04    1.29788e+04    1.20203e+03   -3.06285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85457e+03    9.26275e+04    4.00298e+05   -2.34174e+04   -2.97848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65107e+04   -2.44897e+06    4.78939e+05   -1.97003e+06    2.47009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.07839e+02    3.15452e+01    6.09921e-06


DD  step 232219999 load imb.: force 10.3%  pme mesh/force 0.669
           Step           Time
      232220000   464440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25471e+03    1.91664e+04    1.30798e+04    1.26696e+03   -3.08197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85622e+03    9.25385e+04    4.01631e+05   -2.34261e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66344e+04   -2.44797e+06    4.79024e+05   -1.96895e+06    2.47015e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10560e+02   -2.07994e+02    2.79517e+01    6.15559e-06


DD  step 232224999 load imb.: force 13.7%  pme mesh/force 0.746
           Step           Time
      232225000   464450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02657e+03    1.99096e+04    1.28377e+04    1.17008e+03   -3.06386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79385e+03    9.28342e+04    4.01376e+05   -2.34648e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65770e+04   -2.44767e+06    4.80121e+05   -1.96755e+06    2.47022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11271e+02   -2.08681e+02    5.48038e+01    6.00709e-06


DD  step 232229999 load imb.: force 11.5%  pme mesh/force 0.705
           Step           Time
      232230000   464460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06057e+03    1.89487e+04    1.30370e+04    1.19540e+03   -3.07175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75819e+03    9.30028e+04    4.00667e+05   -2.34099e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66614e+04   -2.44779e+06    4.78452e+05   -1.96934e+06    2.47027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10189e+02   -2.07707e+02    1.12251e+01    6.06993e-06


DD  step 232234999 load imb.: force 12.4%  pme mesh/force 0.704
           Step           Time
      232235000   464470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07392e+03    1.94861e+04    1.30542e+04    1.15633e+03   -3.12827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79765e+03    9.21895e+04    3.97901e+05   -2.34175e+04   -2.97319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65711e+04   -2.44650e+06    4.81354e+05   -1.96515e+06    2.47033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12071e+02   -2.07841e+02   -3.76394e+01    6.13201e-06


DD  step 232239999 load imb.: force 13.1%  pme mesh/force 0.715
           Step           Time
      232240000   464480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00368e+03    1.94589e+04    1.30538e+04    1.25665e+03   -3.12818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79884e+03    9.27470e+04    3.99529e+05   -2.34228e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63682e+04   -2.44701e+06    4.79461e+05   -1.96755e+06    2.47038e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07935e+02    7.84642e+00    6.15201e-06


DD  step 232244999 load imb.: force 13.0%  pme mesh/force 0.720
           Step           Time
      232245000   464490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99542e+03    1.92785e+04    1.29947e+04    1.25376e+03   -3.01664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73975e+03    9.28556e+04    4.00100e+05   -2.33824e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65483e+04   -2.44796e+06    4.80439e+05   -1.96752e+06    2.47044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.07219e+02   -5.89064e+01    6.11494e-06


DD  step 232249999 load imb.: force 11.8%  pme mesh/force 0.687
           Step           Time
      232250000   464500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10590e+03    1.98746e+04    1.29961e+04    1.15645e+03   -3.07360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79062e+03    9.23140e+04    4.00365e+05   -2.33633e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64212e+04   -2.44696e+06    4.79986e+05   -1.96697e+06    2.47050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11183e+02   -2.06882e+02   -6.50146e+00    6.03337e-06


DD  step 232254999 load imb.: force 12.5%  pme mesh/force 0.726
           Step           Time
      232255000   464510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14668e+03    1.97017e+04    1.28462e+04    1.22434e+03   -3.00381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87189e+03    9.25501e+04    3.99260e+05   -2.33631e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64833e+04   -2.44562e+06    4.80698e+05   -1.96492e+06    2.47056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11645e+02   -2.06879e+02   -3.91224e+01    6.02344e-06


DD  step 232259999 load imb.: force 11.7%  pme mesh/force 0.695
           Step           Time
      232260000   464520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02554e+03    2.00797e+04    1.29362e+04    1.09632e+03   -3.02069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87636e+03    9.25334e+04    3.99338e+05   -2.33581e+04   -2.97501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65626e+04   -2.44594e+06    4.78041e+05   -1.96790e+06    2.47062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09922e+02   -2.06789e+02   -7.43134e+01    6.14700e-06


DD  step 232264999 load imb.: force 13.0%  pme mesh/force 0.689
           Step           Time
      232265000   464530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97362e+03    1.92371e+04    1.30848e+04    1.19186e+03   -3.08828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86594e+03    9.31406e+04    3.98170e+05   -2.33923e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63865e+04   -2.44817e+06    4.79941e+05   -1.96823e+06    2.47067e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11154e+02   -2.07395e+02   -7.03430e+01    6.02316e-06


DD  step 232269999 load imb.: force 15.2%  pme mesh/force 0.724
           Step           Time
      232270000   464540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94018e+03    1.94525e+04    1.29196e+04    1.13604e+03   -2.93383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92058e+03    9.28709e+04    3.97918e+05   -2.33893e+04   -2.97286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63405e+04   -2.44569e+06    4.80675e+05   -1.96501e+06    2.47073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.07341e+02    4.08946e+00    6.09895e-06


DD  step 232274999 load imb.: force 12.8%  pme mesh/force 0.723
           Step           Time
      232275000   464550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06684e+03    1.93056e+04    1.30966e+04    1.16317e+03   -2.96950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78004e+03    9.33306e+04    4.01893e+05   -2.33828e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65533e+04   -2.44511e+06    4.79166e+05   -1.96595e+06    2.47079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10652e+02   -2.07226e+02    6.55069e+01    6.20603e-06


DD  step 232279999 load imb.: force 12.8%  pme mesh/force 0.716
           Step           Time
      232280000   464560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03613e+03    1.95770e+04    1.30349e+04    1.18177e+03   -2.94223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74748e+03    9.28365e+04    4.03487e+05   -2.34202e+04   -2.98109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66115e+04   -2.44795e+06    4.80254e+05   -1.96769e+06    2.47085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.07889e+02    5.80424e+01    5.95423e-06


DD  step 232284999 load imb.: force 14.8%  pme mesh/force 0.747
           Step           Time
      232285000   464570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18991e+03    1.95153e+04    1.30627e+04    1.15837e+03   -3.08404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88422e+03    9.31241e+04    3.98203e+05   -2.33231e+04   -2.97195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66879e+04   -2.44353e+06    4.80274e+05   -1.96326e+06    2.47091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11370e+02   -2.06170e+02   -6.55610e+01    5.97166e-06


DD  step 232289999 load imb.: force 11.7%  pme mesh/force 0.709
           Step           Time
      232290000   464580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00944e+03    1.97650e+04    1.29598e+04    1.11266e+03   -3.05294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85994e+03    9.22352e+04    3.97917e+05   -2.33584e+04   -2.97214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66659e+04   -2.44502e+06    4.78224e+05   -1.96680e+06    2.47097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10041e+02   -2.06795e+02   -3.52613e+01    6.03113e-06


DD  step 232294999 load imb.: force 12.3%  pme mesh/force 0.710
           Step           Time
      232295000   464590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09965e+03    1.97066e+04    1.31041e+04    1.17614e+03   -3.14968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72038e+03    9.30454e+04    4.01053e+05   -2.33591e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63818e+04   -2.44582e+06    4.81798e+05   -1.96402e+06    2.47102e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12358e+02   -2.06807e+02   -1.72731e+01    6.06068e-06


DD  step 232299999 load imb.: force 14.4%  pme mesh/force 0.734
           Step           Time
      232300000   464600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33437e+03    1.91085e+04    1.31220e+04    1.13516e+03   -3.01744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70744e+03    9.30779e+04    3.99760e+05   -2.33319e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65858e+04   -2.44597e+06    4.80260e+05   -1.96571e+06    2.47108e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11361e+02   -2.06327e+02   -1.08425e+02    6.28101e-06


DD  step 232304999 load imb.: force 12.4%  pme mesh/force 0.693
           Step           Time
      232305000   464610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06496e+03    1.94008e+04    1.29700e+04    1.21544e+03   -3.08630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82107e+03    9.35626e+04    4.01261e+05   -2.33491e+04   -2.97946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64230e+04   -2.44818e+06    4.80036e+05   -1.96814e+06    2.47114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.06630e+02   -2.95125e+01    5.99765e-06


DD  step 232309999 load imb.: force 12.4%  pme mesh/force 0.719
           Step           Time
      232310000   464620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94197e+03    1.95096e+04    1.29970e+04    1.25397e+03   -3.02055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86995e+03    9.30132e+04    3.99424e+05   -2.33808e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63059e+04   -2.44600e+06    4.81172e+05   -1.96483e+06    2.47120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.07190e+02   -1.34356e+01    5.87297e-06


DD  step 232314999 load imb.: force 11.5%  pme mesh/force 0.687
           Step           Time
      232315000   464630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10019e+03    1.92247e+04    1.30447e+04    1.13727e+03   -2.99632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83237e+03    9.29978e+04    3.99091e+05   -2.33785e+04   -2.97415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64263e+04   -2.44567e+06    4.79755e+05   -1.96591e+06    2.47126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11034e+02   -2.07150e+02   -2.43455e+01    6.03354e-06


DD  step 232319999 load imb.: force 11.1%  pme mesh/force 0.688
           Step           Time
      232320000   464640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06319e+03    1.89338e+04    1.29602e+04    1.19609e+03   -3.07248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83255e+03    9.28764e+04    4.01247e+05   -2.33461e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63240e+04   -2.44796e+06    4.77490e+05   -1.97047e+06    2.47131e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09565e+02   -2.06577e+02   -1.99057e+01    6.07645e-06


DD  step 232324999 load imb.: force 11.8%  pme mesh/force 0.692
           Step           Time
      232325000   464650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10946e+03    1.99187e+04    1.30141e+04    1.17420e+03   -3.05389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87093e+03    9.26399e+04    4.02112e+05   -2.34164e+04   -2.97681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65167e+04   -2.44492e+06    4.80567e+05   -1.96435e+06    2.47137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11560e+02   -2.07822e+02    8.85919e+01    5.95908e-06


DD  step 232329999 load imb.: force 12.1%  pme mesh/force 0.695
           Step           Time
      232330000   464660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10294e+03    1.94718e+04    1.31074e+04    1.18527e+03   -3.05691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94749e+03    9.26936e+04    4.01718e+05   -2.33704e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65538e+04   -2.44499e+06    4.79107e+05   -1.96588e+06    2.47143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.07007e+02    4.75885e+01    6.01958e-06


DD  step 232334999 load imb.: force 15.1%  pme mesh/force 0.733
           Step           Time
      232335000   464670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99098e+03    1.92593e+04    1.31340e+04    1.27111e+03   -3.08610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78473e+03    9.32660e+04    4.00108e+05   -2.33518e+04   -2.97338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66670e+04   -2.44334e+06    4.80795e+05   -1.96254e+06    2.47148e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11708e+02   -2.06677e+02    3.23541e+01    6.05278e-06


DD  step 232339999 load imb.: force 12.2%  pme mesh/force 0.698
           Step           Time
      232340000   464680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19425e+03    1.96202e+04    1.29514e+04    1.12736e+03   -2.95286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82575e+03    9.29693e+04    4.01823e+05   -2.33841e+04   -2.98004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63640e+04   -2.44850e+06    4.80357e+05   -1.96815e+06    2.47154e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11424e+02   -2.07249e+02    2.66689e+01    6.10386e-06


DD  step 232344999 load imb.: force 10.8%  pme mesh/force 0.691
           Step           Time
      232345000   464690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78596e+03    1.97157e+04    1.29227e+04    1.16745e+03   -3.02693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82904e+03    9.29755e+04    4.00140e+05   -2.33609e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64711e+04   -2.44535e+06    4.80875e+05   -1.96447e+06    2.47160e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11760e+02   -2.06838e+02    4.06217e+01    6.16778e-06


DD  step 232349999 load imb.: force 12.4%  pme mesh/force 0.681
           Step           Time
      232350000   464700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88627e+03    1.96030e+04    1.31522e+04    1.15864e+03   -3.02885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89549e+03    9.30226e+04    4.01381e+05   -2.33932e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63926e+04   -2.44681e+06    4.80416e+05   -1.96640e+06    2.47166e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.07410e+02    4.58086e+01    6.04848e-06


DD  step 232354999 load imb.: force 14.0%  pme mesh/force 0.730
           Step           Time
      232355000   464710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08985e+03    1.92860e+04    1.30181e+04    1.22038e+03   -3.01069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82105e+03    9.26595e+04    3.98828e+05   -2.33644e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63734e+04   -2.44862e+06    4.79454e+05   -1.96917e+06    2.47172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10838e+02   -2.06901e+02   -8.94846e+01    5.97698e-06


DD  step 232359999 load imb.: force 13.9%  pme mesh/force 0.703
           Step           Time
      232360000   464720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02448e+03    1.97344e+04    1.29625e+04    1.18489e+03   -3.03228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78610e+03    9.30770e+04    4.00294e+05   -2.33353e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65767e+04   -2.44688e+06    4.80679e+05   -1.96620e+06    2.47178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11633e+02   -2.06386e+02   -6.50761e+01    5.86572e-06


DD  step 232364999 load imb.: force 13.3%  pme mesh/force 0.704
           Step           Time
      232365000   464730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94823e+03    1.97914e+04    1.28968e+04    1.22068e+03   -3.03366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81783e+03    9.30510e+04    3.98892e+05   -2.34012e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64660e+04   -2.44991e+06    4.80011e+05   -1.96990e+06    2.47184e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11200e+02   -2.07552e+02   -6.41528e+01    5.97816e-06


DD  step 232369999 load imb.: force 12.5%  pme mesh/force 0.721
           Step           Time
      232370000   464740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12367e+03    1.97285e+04    1.31630e+04    1.16330e+03   -3.14741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94144e+03    9.30002e+04    4.01930e+05   -2.33479e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66043e+04   -2.44527e+06    4.81437e+05   -1.96384e+06    2.47190e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12124e+02   -2.06608e+02    5.32298e+01    5.86696e-06


DD  step 232374999 load imb.: force 13.3%  pme mesh/force 0.696
           Step           Time
      232375000   464750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94070e+03    1.92298e+04    1.28194e+04    1.16567e+03   -3.02582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75561e+03    9.30443e+04    4.01256e+05   -2.33722e+04   -2.97961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66460e+04   -2.44915e+06    4.78864e+05   -1.97029e+06    2.47196e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10456e+02   -2.07039e+02   -1.46475e+01    5.83796e-06


DD  step 232379999 load imb.: force 13.2%  pme mesh/force 0.716
           Step           Time
      232380000   464760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11835e+03    1.94649e+04    1.30819e+04    1.13006e+03   -3.10725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81445e+03    9.29761e+04    3.99640e+05   -2.33874e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64908e+04   -2.44886e+06    4.78562e+05   -1.97030e+06    2.47202e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10261e+02   -2.07307e+02   -5.60540e+01    5.99926e-06


DD  step 232384999 load imb.: force 12.6%  pme mesh/force 0.727
           Step           Time
      232385000   464770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07983e+03    1.95584e+04    1.31508e+04    1.16129e+03   -3.21952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75974e+03    9.27154e+04    3.99164e+05   -2.33135e+04   -2.97266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65261e+04   -2.44408e+06    4.79968e+05   -1.96411e+06    2.47207e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11172e+02   -2.06001e+02   -5.54419e+01    6.09192e-06


DD  step 232389999 load imb.: force 13.5%  pme mesh/force 0.720
           Step           Time
      232390000   464780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12710e+03    1.92325e+04    1.30829e+04    1.27219e+03   -3.03220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91474e+03    9.27283e+04    4.02044e+05   -2.33565e+04   -2.97892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67516e+04   -2.44716e+06    4.78892e+05   -1.96827e+06    2.47213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10474e+02   -2.06762e+02    4.84503e+01    6.12017e-06


DD  step 232394999 load imb.: force 12.7%  pme mesh/force 0.712
           Step           Time
      232395000   464790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92029e+03    1.91584e+04    1.31654e+04    1.19831e+03   -3.17956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86305e+03    9.26069e+04    4.00186e+05   -2.34107e+04   -2.97834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63042e+04   -2.44953e+06    4.79956e+05   -1.96958e+06    2.47218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11164e+02   -2.07721e+02   -1.31473e+00    6.04042e-06


DD  step 232399999 load imb.: force 13.2%  pme mesh/force 0.738
           Step           Time
      232400000   464800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18386e+03    1.96772e+04    1.29287e+04    1.16989e+03   -3.07030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63246e+03    9.29427e+04    4.01942e+05   -2.33454e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65092e+04   -2.44661e+06    4.78508e+05   -1.96810e+06    2.47225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10225e+02   -2.06565e+02   -1.18186e+01    6.21334e-06


DD  step 232404999 load imb.: force 13.2%  pme mesh/force 0.723
           Step           Time
      232405000   464810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00348e+03    1.94099e+04    1.30365e+04    1.14147e+03   -2.98449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65324e+03    9.28445e+04    4.00840e+05   -2.33740e+04   -2.98106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65541e+04   -2.45093e+06    4.81941e+05   -1.96899e+06    2.47230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12451e+02   -2.07071e+02   -4.01838e+01    6.10580e-06


DD  step 232409999 load imb.: force 13.1%  pme mesh/force 0.735
           Step           Time
      232410000   464820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90319e+03    1.95776e+04    1.32164e+04    1.19802e+03   -3.11141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89149e+03    9.28155e+04    3.99632e+05   -2.34232e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67085e+04   -2.44844e+06    4.78568e+05   -1.96987e+06    2.47236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10264e+02   -2.07943e+02   -1.93933e+01    5.99350e-06


DD  step 232414999 load imb.: force 16.3%  pme mesh/force 0.722
           Step           Time
      232415000   464830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88776e+03    1.93802e+04    1.30895e+04    1.14659e+03   -3.01941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89354e+03    9.28595e+04    3.98595e+05   -2.33846e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64371e+04   -2.44580e+06    4.79659e+05   -1.96614e+06    2.47242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.07258e+02   -1.20517e+01    6.10981e-06


DD  step 232419999 load imb.: force 12.6%  pme mesh/force 0.709
           Step           Time
      232420000   464840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94082e+03    1.98083e+04    1.29811e+04    1.12443e+03   -3.07699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78917e+03    9.23725e+04    3.98402e+05   -2.33563e+04   -2.97318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64001e+04   -2.44579e+06    4.79063e+05   -1.96673e+06    2.47248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.06757e+02   -5.00270e+01    6.13616e-06


DD  step 232424999 load imb.: force 12.2%  pme mesh/force 0.726
           Step           Time
      232425000   464850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03326e+03    1.95406e+04    1.32404e+04    1.22471e+03   -3.13977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84066e+03    9.30389e+04    4.04438e+05   -2.33755e+04   -2.98217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63964e+04   -2.44793e+06    4.78914e+05   -1.96902e+06    2.47254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10488e+02   -2.07096e+02    9.58918e+01    5.87650e-06


DD  step 232429999 load imb.: force 14.0%  pme mesh/force 0.742
           Step           Time
      232430000   464860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04444e+03    1.98121e+04    1.30686e+04    1.17772e+03   -3.20966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82327e+03    9.36191e+04    3.99879e+05   -2.33912e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65390e+04   -2.44395e+06    4.76967e+05   -1.96698e+06    2.47260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09226e+02   -2.07375e+02    6.63211e+01    6.00972e-06


DD  step 232434999 load imb.: force 12.5%  pme mesh/force 0.724
           Step           Time
      232435000   464870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03535e+03    1.92266e+04    1.30370e+04    1.17438e+03   -3.13290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80137e+03    9.35372e+04    4.00876e+05   -2.33786e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64651e+04   -2.44703e+06    4.79546e+05   -1.96749e+06    2.47266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10898e+02   -2.07152e+02    2.19940e+00    5.99269e-06


DD  step 232439999 load imb.: force 13.8%  pme mesh/force 0.729
           Step           Time
      232440000   464880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13083e+03    1.94859e+04    1.31653e+04    1.19283e+03   -2.98110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76569e+03    9.29296e+04    4.02045e+05   -2.33469e+04   -2.97717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66041e+04   -2.44518e+06    4.79603e+05   -1.96557e+06    2.47272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10935e+02   -2.06591e+02    2.24344e+01    5.95792e-06


DD  step 232444999 load imb.: force 12.2%  pme mesh/force 0.706
           Step           Time
      232445000   464890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92533e+03    1.94187e+04    1.31242e+04    1.24297e+03   -3.08361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76586e+03    9.32255e+04    4.03051e+05   -2.33586e+04   -2.98037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65310e+04   -2.44753e+06    4.79554e+05   -1.96798e+06    2.47277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10903e+02   -2.06799e+02    1.57712e+01    6.12301e-06


DD  step 232449999 load imb.: force 12.5%  pme mesh/force 0.698
           Step           Time
      232450000   464900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97249e+03    1.91993e+04    1.32263e+04    1.21197e+03   -3.05348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79599e+03    9.34222e+04    4.03476e+05   -2.34270e+04   -2.98085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64548e+04   -2.44757e+06    4.80689e+05   -1.96688e+06    2.47283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.08010e+02    1.23294e+02    6.11960e-06


DD  step 232454999 load imb.: force 13.6%  pme mesh/force 0.699
           Step           Time
      232455000   464910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13816e+03    1.94696e+04    1.33611e+04    1.09643e+03   -3.22743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67002e+03    9.30246e+04    3.99669e+05   -2.34161e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66709e+04   -2.44656e+06    4.79119e+05   -1.96745e+06    2.47289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10621e+02   -2.07817e+02    6.98286e+00    6.08671e-06


DD  step 232459999 load imb.: force 12.2%  pme mesh/force 0.721
           Step           Time
      232460000   464920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65147e+03    1.95802e+04    1.31059e+04    1.19681e+03   -3.11884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89941e+03    9.31263e+04    4.02600e+05   -2.33750e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64848e+04   -2.44817e+06    4.79220e+05   -1.96895e+06    2.47295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.07088e+02    1.08136e+02    6.13883e-06


DD  step 232464999 load imb.: force 14.0%  pme mesh/force 0.723
           Step           Time
      232465000   464930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90857e+03    1.96375e+04    1.31892e+04    1.17753e+03   -3.10020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75324e+03    9.32128e+04    3.98621e+05   -2.34005e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66774e+04   -2.44710e+06    4.78648e+05   -1.96845e+06    2.47300e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10316e+02   -2.07540e+02   -1.62092e+01    6.10468e-06


DD  step 232469999 load imb.: force 13.6%  pme mesh/force 0.753
           Step           Time
      232470000   464940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02921e+03    1.92292e+04    1.31945e+04    1.10067e+03   -3.08125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92895e+03    9.33140e+04    4.03213e+05   -2.33816e+04   -2.98087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65163e+04   -2.44781e+06    4.78868e+05   -1.96894e+06    2.47306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10458e+02   -2.07205e+02    1.14094e+02    6.17536e-06

Writing checkpoint, step 232471450 at Wed Nov  8 04:46:28 2023



DD  step 232474999 load imb.: force 13.3%  pme mesh/force 0.745
           Step           Time
      232475000   464950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80945e+03    1.96304e+04    1.30724e+04    1.11739e+03   -3.12382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86169e+03    9.30411e+04    4.03189e+05   -2.34190e+04   -2.98169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63961e+04   -2.44911e+06    4.79779e+05   -1.96933e+06    2.47311e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11049e+02   -2.07868e+02    8.63881e+01    6.08494e-06


DD  step 232479999 load imb.: force 12.0%  pme mesh/force 0.711
           Step           Time
      232480000   464960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71009e+03    1.93149e+04    1.31922e+04    1.12773e+03   -3.14356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85540e+03    9.33925e+04    4.00705e+05   -2.34056e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64442e+04   -2.44850e+06    4.79976e+05   -1.96853e+06    2.47317e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11177e+02   -2.07631e+02   -3.58304e+00    6.14760e-06


DD  step 232484999 load imb.: force 12.5%  pme mesh/force 0.733
           Step           Time
      232485000   464970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13644e+03    1.97624e+04    1.32308e+04    1.13274e+03   -3.17913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66976e+03    9.25524e+04    3.98293e+05   -2.34063e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65615e+04   -2.44940e+06    4.81037e+05   -1.96836e+06    2.47323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11865e+02   -2.07643e+02   -1.01578e+02    6.08707e-06


DD  step 232489999 load imb.: force 14.3%  pme mesh/force 0.765
           Step           Time
      232490000   464980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25749e+03    1.96538e+04    1.31001e+04    1.18874e+03   -3.08183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80862e+03    9.32090e+04    4.00131e+05   -2.33493e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66550e+04   -2.44581e+06    4.78765e+05   -1.96704e+06    2.47329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.06634e+02    3.29120e+00    6.17385e-06


DD  step 232494999 load imb.: force 12.3%  pme mesh/force 0.707
           Step           Time
      232495000   464990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29519e+03    1.95185e+04    1.30796e+04    1.20012e+03   -3.12723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67600e+03    9.31503e+04    3.99901e+05   -2.33592e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64451e+04   -2.44605e+06    4.78610e+05   -1.96744e+06    2.47335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10292e+02   -2.06808e+02   -6.12742e+01    5.89610e-06


DD  step 232499999 load imb.: force 14.6%  pme mesh/force 0.775
           Step           Time
      232500000   465000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08067e+03    1.93314e+04    1.30770e+04    1.20718e+03   -3.15207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75859e+03    9.32526e+04    3.99643e+05   -2.33664e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66147e+04   -2.44512e+06    4.80988e+05   -1.96413e+06    2.47340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.06937e+02   -2.08098e+01    5.97621e-06


DD  step 232504999 load imb.: force 14.5%  pme mesh/force 0.753
           Step           Time
      232505000   465010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91749e+03    1.94529e+04    1.30576e+04    1.25112e+03   -3.07746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67535e+03    9.34585e+04    3.99970e+05   -2.33462e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66206e+04   -2.44891e+06    4.77322e+05   -1.97158e+06    2.47346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09456e+02   -2.06579e+02   -1.04474e+01    6.00462e-06


DD  step 232509999 load imb.: force 13.7%  pme mesh/force 0.742
           Step           Time
      232510000   465020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01382e+03    1.95147e+04    1.31995e+04    1.14715e+03   -3.08468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79559e+03    9.32573e+04    4.01325e+05   -2.34325e+04   -2.98105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63450e+04   -2.44997e+06    4.80079e+05   -1.96989e+06    2.47352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11244e+02   -2.08107e+02   -1.74486e+01    6.08235e-06


DD  step 232514999 load imb.: force 12.8%  pme mesh/force 0.713
           Step           Time
      232515000   465030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02628e+03    1.97087e+04    1.31744e+04    1.26464e+03   -3.03326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75023e+03    9.34190e+04    4.01017e+05   -2.34186e+04   -2.97830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63959e+04   -2.44700e+06    4.80599e+05   -1.96640e+06    2.47358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11581e+02   -2.07860e+02    2.99837e+01    6.09632e-06


DD  step 232519999 load imb.: force 14.6%  pme mesh/force 0.749
           Step           Time
      232520000   465040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88323e+03    1.95853e+04    1.31900e+04    1.25791e+03   -3.11513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90719e+03    9.33125e+04    3.99157e+05   -2.33312e+04   -2.97225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66445e+04   -2.44276e+06    4.80182e+05   -1.96258e+06    2.47364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11311e+02   -2.06314e+02   -5.28423e+01    6.06068e-06


DD  step 232524999 load imb.: force 14.6%  pme mesh/force 0.751
           Step           Time
      232525000   465050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91979e+03    1.95422e+04    1.31455e+04    1.12266e+03   -3.13954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85844e+03    9.30596e+04    4.01107e+05   -2.33978e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64991e+04   -2.44544e+06    4.79070e+05   -1.96638e+06    2.47370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10589e+02   -2.07492e+02    6.55802e+01    6.04808e-06


DD  step 232529999 load imb.: force 12.8%  pme mesh/force 0.697
           Step           Time
      232530000   465060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02580e+03    1.93221e+04    1.30661e+04    1.21532e+03   -3.04573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78515e+03    9.31270e+04    4.00078e+05   -2.34248e+04   -2.97580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64122e+04   -2.44624e+06    4.79470e+05   -1.96677e+06    2.47375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10849e+02   -2.07970e+02    4.56653e+01    6.05848e-06


DD  step 232534999 load imb.: force 15.4%  pme mesh/force 0.734
           Step           Time
      232535000   465070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85126e+03    1.93957e+04    1.30707e+04    1.22006e+03   -3.03069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81961e+03    9.32233e+04    4.00811e+05   -2.33656e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65352e+04   -2.44609e+06    4.77195e+05   -1.96890e+06    2.47382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09374e+02   -2.06922e+02   -1.47577e+01    6.12136e-06


DD  step 232539999 load imb.: force 14.6%  pme mesh/force 0.780
           Step           Time
      232540000   465080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11609e+03    1.90945e+04    1.30473e+04    1.19559e+03   -2.95206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73313e+03    9.34635e+04    4.01980e+05   -2.33905e+04   -2.98124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64250e+04   -2.44952e+06    4.80427e+05   -1.96910e+06    2.47386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.07363e+02   -1.77220e+01    6.08182e-06


DD  step 232544999 load imb.: force 13.2%  pme mesh/force 0.743
           Step           Time
      232545000   465090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02133e+03    1.96080e+04    1.28771e+04    1.20405e+03   -3.03481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80690e+03    9.28390e+04    4.03065e+05   -2.34058e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64102e+04   -2.44548e+06    4.80665e+05   -1.96482e+06    2.47393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11624e+02   -2.07634e+02    8.88388e+01    6.09421e-06


DD  step 232549999 load imb.: force 14.7%  pme mesh/force 0.766
           Step           Time
      232550000   465100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83638e+03    1.92408e+04    1.30657e+04    1.20437e+03   -3.01960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83642e+03    9.33677e+04    4.01402e+05   -2.34012e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61410e+04   -2.44780e+06    4.80271e+05   -1.96753e+06    2.47398e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11368e+02   -2.07553e+02    6.90936e+01    5.96575e-06


DD  step 232554999 load imb.: force 14.0%  pme mesh/force 0.743
           Step           Time
      232555000   465110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99538e+03    1.98652e+04    1.32691e+04    1.23691e+03   -3.01359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81010e+03    9.31513e+04    3.99856e+05   -2.34006e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66152e+04   -2.44682e+06    4.79625e+05   -1.96720e+06    2.47405e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10949e+02   -2.07541e+02   -2.16100e+01    6.03941e-06


DD  step 232559999 load imb.: force 13.6%  pme mesh/force 0.737
           Step           Time
      232560000   465120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96792e+03    1.93127e+04    1.30340e+04    1.13933e+03   -2.98747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78741e+03    9.33797e+04    4.02639e+05   -2.34098e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66090e+04   -2.44654e+06    4.77417e+05   -1.96913e+06    2.47410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09518e+02   -2.07705e+02    6.32900e+01    6.11451e-06


DD  step 232564999 load imb.: force 11.9%  pme mesh/force 0.709
           Step           Time
      232565000   465130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03213e+03    1.90440e+04    1.29860e+04    1.18342e+03   -2.93586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77727e+03    9.33548e+04    4.00181e+05   -2.34056e+04   -2.97937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62695e+04   -2.44989e+06    4.80043e+05   -1.96984e+06    2.47415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.07630e+02   -3.62284e+01    6.19355e-06


DD  step 232569999 load imb.: force 15.0%  pme mesh/force 0.731
           Step           Time
      232570000   465140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84842e+03    1.93024e+04    1.31414e+04    1.21555e+03   -3.12407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82258e+03    9.36033e+04    3.99704e+05   -2.33830e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64536e+04   -2.44651e+06    4.79404e+05   -1.96710e+06    2.47421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10806e+02   -2.07231e+02   -9.01292e+00    6.13806e-06


DD  step 232574999 load imb.: force 14.7%  pme mesh/force 0.793
           Step           Time
      232575000   465150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00986e+03    1.92545e+04    1.30278e+04    1.16834e+03   -3.14439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74765e+03    9.30500e+04    3.97631e+05   -2.33411e+04   -2.97209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66108e+04   -2.44507e+06    4.79807e+05   -1.96526e+06    2.47427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.06489e+02   -8.67842e+01    6.13513e-06


DD  step 232579999 load imb.: force 16.6%  pme mesh/force 0.747
           Step           Time
      232580000   465160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35692e+03    1.94137e+04    1.30913e+04    1.20738e+03   -3.08685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67750e+03    9.22908e+04    4.01775e+05   -2.33810e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64434e+04   -2.44604e+06    4.78624e+05   -1.96741e+06    2.47434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10301e+02   -2.07194e+02    4.31585e+01    6.13926e-06


DD  step 232584999 load imb.: force 15.1%  pme mesh/force 0.759
           Step           Time
      232585000   465170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17053e+03    1.92810e+04    1.29644e+04    1.12065e+03   -3.00364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82434e+03    9.26421e+04    3.99712e+05   -2.34183e+04   -2.97867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65424e+04   -2.44983e+06    4.79058e+05   -1.97077e+06    2.47439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.07856e+02   -3.86024e+01    6.27600e-06


DD  step 232589999 load imb.: force 15.8%  pme mesh/force 0.710
           Step           Time
      232590000   465180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11231e+03    1.94619e+04    1.31946e+04    1.14085e+03   -3.18180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68786e+03    9.30889e+04    4.00036e+05   -2.33749e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65508e+04   -2.44776e+06    4.80368e+05   -1.96739e+06    2.47445e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11431e+02   -2.07087e+02   -4.37209e+01    6.14756e-06


DD  step 232594999 load imb.: force 14.8%  pme mesh/force 0.719
           Step           Time
      232595000   465190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96903e+03    1.94459e+04    1.31071e+04    1.18558e+03   -3.07395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69044e+03    9.30578e+04    4.01499e+05   -2.33756e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64149e+04   -2.44581e+06    4.79257e+05   -1.96656e+06    2.47451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.07100e+02    3.08253e+01    6.05595e-06


DD  step 232599999 load imb.: force 15.4%  pme mesh/force 0.743
           Step           Time
      232600000   465200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25061e+03    1.92134e+04    1.30348e+04    1.15775e+03   -3.06659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88856e+03    9.29846e+04    4.00427e+05   -2.33724e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66872e+04   -2.44807e+06    4.79266e+05   -1.96880e+06    2.47456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10717e+02   -2.07042e+02   -3.20561e+01    6.37565e-06


DD  step 232604999 load imb.: force 15.2%  pme mesh/force 0.748
           Step           Time
      232605000   465210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98371e+03    1.94699e+04    1.28366e+04    1.21709e+03   -3.13976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80704e+03    9.25370e+04    3.99834e+05   -2.34375e+04   -2.97904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65451e+04   -2.45039e+06    4.78636e+05   -1.97175e+06    2.47462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10308e+02   -2.08196e+02   -5.93584e+00    5.99637e-06


DD  step 232609999 load imb.: force 15.0%  pme mesh/force 0.737
           Step           Time
      232610000   465220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07992e+03    1.94397e+04    1.32394e+04    1.31745e+03   -3.12395e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90717e+03    9.25926e+04    3.99556e+05   -2.34274e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63432e+04   -2.44697e+06    4.79423e+05   -1.96754e+06    2.47468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.08016e+02    4.03191e+01    6.20085e-06


DD  step 232614999 load imb.: force 15.2%  pme mesh/force 0.719
           Step           Time
      232615000   465230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13315e+03    1.94896e+04    1.29785e+04    1.28454e+03   -3.06038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77091e+03    9.26054e+04    4.02269e+05   -2.34049e+04   -2.98054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66686e+04   -2.44880e+06    4.78876e+05   -1.96993e+06    2.47473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.07618e+02    2.38990e+01    6.08646e-06


DD  step 232619999 load imb.: force 13.0%  pme mesh/force 0.747
           Step           Time
      232620000   465240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86162e+03    1.91800e+04    1.31441e+04    1.13417e+03   -3.07216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70380e+03    9.25096e+04    3.99385e+05   -2.34461e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63586e+04   -2.45119e+06    4.79856e+05   -1.97133e+06    2.47479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11100e+02   -2.08349e+02   -8.28110e+01    6.14549e-06


DD  step 232624999 load imb.: force 18.1%  pme mesh/force 0.765
           Step           Time
      232625000   465250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06357e+03    1.96497e+04    1.29601e+04    1.22020e+03   -3.04574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70651e+03    9.27612e+04    4.03120e+05   -2.34132e+04   -2.98112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64359e+04   -2.44866e+06    4.79860e+05   -1.96880e+06    2.47485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11102e+02   -2.07765e+02    7.81989e+01    6.06453e-06


DD  step 232629999 load imb.: force 16.4%  pme mesh/force 0.741
           Step           Time
      232630000   465260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11850e+03    1.95216e+04    1.31438e+04    1.20875e+03   -3.11833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85570e+03    9.24570e+04    3.99968e+05   -2.33515e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62696e+04   -2.44638e+06    4.79900e+05   -1.96648e+06    2.47491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11128e+02   -2.06672e+02   -6.83519e+00    6.22204e-06


DD  step 232634999 load imb.: force 15.3%  pme mesh/force 0.759
           Step           Time
      232635000   465270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15480e+03    1.93331e+04    1.30525e+04    1.14466e+03   -3.11170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91530e+03    9.27998e+04    3.99943e+05   -2.33621e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66295e+04   -2.44895e+06    4.79475e+05   -1.96947e+06    2.47497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.06860e+02   -4.35220e+01    5.87436e-06


DD  step 232639999 load imb.: force 16.0%  pme mesh/force 0.757
           Step           Time
      232640000   465280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96435e+03    1.93873e+04    1.30589e+04    1.12642e+03   -3.09605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83045e+03    9.24580e+04    3.98065e+05   -2.33557e+04   -2.97437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65489e+04   -2.44738e+06    4.77033e+05   -1.97035e+06    2.47502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09269e+02   -2.06747e+02   -5.79444e+01    5.99736e-06


DD  step 232644999 load imb.: force 15.7%  pme mesh/force 0.741
           Step           Time
      232645000   465290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88657e+03    1.92771e+04    1.29900e+04    1.17968e+03   -3.12237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89160e+03    9.31423e+04    4.01880e+05   -2.33954e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63581e+04   -2.44583e+06    4.79159e+05   -1.96667e+06    2.47508e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10647e+02   -2.07450e+02    5.85447e+01    5.97175e-06


DD  step 232649999 load imb.: force 16.1%  pme mesh/force 0.785
           Step           Time
      232650000   465300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92909e+03    1.91910e+04    1.30464e+04    1.19979e+03   -3.05374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80046e+03    9.31727e+04    3.99400e+05   -2.33462e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64177e+04   -2.44604e+06    4.79811e+05   -1.96623e+06    2.47514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11070e+02   -2.06579e+02   -5.63345e+01    6.04543e-06


DD  step 232654999 load imb.: force 15.4%  pme mesh/force 0.770
           Step           Time
      232655000   465310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98895e+03    1.97667e+04    1.32556e+04    1.22647e+03   -3.04720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77001e+03    9.28863e+04    3.99705e+05   -2.33755e+04   -2.97388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64903e+04   -2.44421e+06    4.79824e+05   -1.96439e+06    2.47520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11079e+02   -2.07096e+02    3.36469e+00    6.13102e-06


DD  step 232659999 load imb.: force 13.8%  pme mesh/force 0.717
           Step           Time
      232660000   465320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14254e+03    1.95974e+04    1.31461e+04    1.18667e+03   -3.08505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90608e+03    9.32017e+04    3.98609e+05   -2.33536e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67091e+04   -2.44538e+06    4.79575e+05   -1.96581e+06    2.47526e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.06711e+02   -1.72218e+01    6.19775e-06


DD  step 232664999 load imb.: force 14.8%  pme mesh/force 0.742
           Step           Time
      232665000   465330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08174e+03    1.88400e+04    1.31300e+04    1.21317e+03   -3.10089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78302e+03    9.32790e+04    4.02902e+05   -2.34273e+04   -2.98038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63760e+04   -2.44831e+06    4.78362e+05   -1.96995e+06    2.47532e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10131e+02   -2.08014e+02    8.84806e+01    6.04787e-06


DD  step 232669999 load imb.: force 14.5%  pme mesh/force 0.733
           Step           Time
      232670000   465340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84561e+03    1.95497e+04    1.32250e+04    1.13246e+03   -3.13135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82314e+03    9.23062e+04    4.00230e+05   -2.34344e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65152e+04   -2.44919e+06    4.78438e+05   -1.97075e+06    2.47538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10180e+02   -2.08141e+02    9.22240e+00    6.06744e-06


DD  step 232674999 load imb.: force 17.1%  pme mesh/force 0.739
           Step           Time
      232675000   465350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01643e+03    1.95244e+04    1.28829e+04    1.15938e+03   -3.00945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78696e+03    9.27524e+04    3.99838e+05   -2.34057e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64737e+04   -2.44839e+06    4.80499e+05   -1.96789e+06    2.47543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11516e+02   -2.07632e+02   -3.48017e+01    6.18873e-06


DD  step 232679999 load imb.: force 14.9%  pme mesh/force 0.764
           Step           Time
      232680000   465360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99378e+03    1.95150e+04    1.29614e+04    1.16116e+03   -2.99769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91015e+03    9.27578e+04    3.98334e+05   -2.33605e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44703e+06    4.79400e+05   -1.96763e+06    2.47549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10804e+02   -2.06831e+02   -6.59462e+01    6.08608e-06


DD  step 232684999 load imb.: force 14.9%  pme mesh/force 0.785
           Step           Time
      232685000   465370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70627e+03    1.92998e+04    1.31733e+04    1.21462e+03   -3.17224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94405e+03    9.27055e+04    3.99518e+05   -2.33841e+04   -2.97412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63903e+04   -2.44572e+06    4.77901e+05   -1.96782e+06    2.47555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09832e+02   -2.07249e+02    3.35549e+01    5.90672e-06


DD  step 232689999 load imb.: force 14.7%  pme mesh/force 0.770
           Step           Time
      232690000   465380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86629e+03    1.91860e+04    1.30621e+04    1.17222e+03   -3.08180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88946e+03    9.27709e+04    3.99130e+05   -2.33981e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63794e+04   -2.44871e+06    4.77190e+05   -1.97152e+06    2.47561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09371e+02   -2.07497e+02   -4.66160e+01    6.33904e-06


DD  step 232694999 load imb.: force 14.8%  pme mesh/force 0.751
           Step           Time
      232695000   465390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11900e+03    1.93921e+04    1.30836e+04    1.20178e+03   -2.99374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78832e+03    9.24062e+04    3.97804e+05   -2.33669e+04   -2.97072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65684e+04   -2.44372e+06    4.80213e+05   -1.96351e+06    2.47566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11331e+02   -2.06945e+02   -6.56877e+01    6.25779e-06


DD  step 232699999 load imb.: force 13.5%  pme mesh/force 0.724
           Step           Time
      232700000   465400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94759e+03    1.92697e+04    1.30900e+04    1.22595e+03   -2.98552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82189e+03    9.34439e+04    4.05224e+05   -2.34035e+04   -2.98334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64752e+04   -2.44823e+06    4.79333e+05   -1.96890e+06    2.47572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.07592e+02    1.44070e+02    6.07884e-06


DD  step 232704999 load imb.: force 14.5%  pme mesh/force 0.766
           Step           Time
      232705000   465410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90439e+03    1.95175e+04    1.29796e+04    1.20223e+03   -2.97896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77720e+03    9.30336e+04    3.99277e+05   -2.33765e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63833e+04   -2.44805e+06    4.78086e+05   -1.96996e+06    2.47578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09952e+02   -2.07116e+02   -6.83368e+01    5.97857e-06


DD  step 232709999 load imb.: force 16.1%  pme mesh/force 0.762
           Step           Time
      232710000   465420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94196e+03    1.91287e+04    1.30198e+04    1.19084e+03   -3.07661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88151e+03    9.34139e+04    3.96119e+05   -2.33754e+04   -2.96924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65241e+04   -2.44348e+06    4.79184e+05   -1.96429e+06    2.47584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.07095e+02   -8.74770e+01    6.14187e-06


DD  step 232714999 load imb.: force 13.5%  pme mesh/force 0.776
           Step           Time
      232715000   465430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19094e+03    1.91436e+04    1.28953e+04    1.23343e+03   -3.01356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68117e+03    9.26474e+04    4.01724e+05   -2.34048e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63893e+04   -2.44844e+06    4.80031e+05   -1.96841e+06    2.47590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11212e+02   -2.07615e+02    1.45410e+01    6.38606e-06


DD  step 232719999 load imb.: force 15.0%  pme mesh/force 0.749
           Step           Time
      232720000   465440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10510e+03    1.94383e+04    1.31158e+04    1.25986e+03   -2.98971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78488e+03    9.27748e+04    4.00075e+05   -2.33441e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64405e+04   -2.44384e+06    4.80553e+05   -1.96328e+06    2.47595e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11551e+02   -2.06542e+02    1.77781e+01    6.19279e-06


DD  step 232724999 load imb.: force 14.0%  pme mesh/force 0.749
           Step           Time
      232725000   465450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22186e+03    1.92133e+04    1.30799e+04    1.15399e+03   -3.02951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76653e+03    9.35833e+04    4.00091e+05   -2.33875e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64828e+04   -2.44786e+06    4.77280e+05   -1.97058e+06    2.47602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09429e+02   -2.07310e+02   -2.45425e+01    6.27461e-06


DD  step 232729999 load imb.: force 14.0%  pme mesh/force 0.811
           Step           Time
      232730000   465460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75268e+03    1.90473e+04    1.31664e+04    1.19517e+03   -3.05538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76005e+03    9.37367e+04    4.02819e+05   -2.33554e+04   -2.98292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63379e+04   -2.45052e+06    4.80887e+05   -1.96963e+06    2.47607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.06742e+02   -3.53985e+01    6.16485e-06


DD  step 232734999 load imb.: force 15.5%  pme mesh/force 0.752
           Step           Time
      232735000   465470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73038e+03    1.95084e+04    1.31167e+04    1.23339e+03   -3.05534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91804e+03    9.28300e+04    4.00530e+05   -2.33971e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66754e+04   -2.44893e+06    4.78832e+05   -1.97010e+06    2.47613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10435e+02   -2.07479e+02    3.33469e+01    6.24313e-06


DD  step 232739999 load imb.: force 12.8%  pme mesh/force 0.736
           Step           Time
      232740000   465480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84730e+03    1.99979e+04    1.31112e+04    1.09694e+03   -3.09425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77836e+03    9.30982e+04    4.02340e+05   -2.33502e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65210e+04   -2.44508e+06    4.83194e+05   -1.96189e+06    2.47619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13263e+02   -2.06650e+02    7.45670e+01    6.28679e-06


DD  step 232744999 load imb.: force 16.9%  pme mesh/force 0.756
           Step           Time
      232745000   465490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21583e+03    1.97587e+04    1.29189e+04    1.21272e+03   -3.06730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70001e+03    9.25899e+04    4.00289e+05   -2.33528e+04   -2.97390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66078e+04   -2.44403e+06    4.81382e+05   -1.96265e+06    2.47625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12088e+02   -2.06696e+02   -3.01515e+01    6.20383e-06


DD  step 232749999 load imb.: force 14.7%  pme mesh/force 0.778
           Step           Time
      232750000   465500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04463e+03    1.94282e+04    1.32504e+04    1.19765e+03   -3.11168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92791e+03    9.30716e+04    4.01146e+05   -2.34051e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65871e+04   -2.44789e+06    4.83213e+05   -1.96467e+06    2.47631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13276e+02   -2.07621e+02    6.17624e+01    6.10518e-06


DD  step 232754999 load imb.: force 14.4%  pme mesh/force 0.773
           Step           Time
      232755000   465510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82570e+03    1.95322e+04    1.30970e+04    1.21838e+03   -2.99607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94369e+03    9.34491e+04    4.00101e+05   -2.33978e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64550e+04   -2.44622e+06    4.82248e+05   -1.96397e+06    2.47637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12650e+02   -2.07492e+02    6.81314e+01    6.12395e-06


DD  step 232759999 load imb.: force 16.3%  pme mesh/force 0.763
           Step           Time
      232760000   465520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98170e+03    1.92350e+04    1.30517e+04    1.21062e+03   -3.06352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86065e+03    9.36123e+04    3.97316e+05   -2.34229e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65379e+04   -2.44879e+06    4.80801e+05   -1.96799e+06    2.47643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11712e+02   -2.07936e+02   -8.24759e+01    6.17122e-06


DD  step 232764999 load imb.: force 14.5%  pme mesh/force 0.782
           Step           Time
      232765000   465530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14282e+03    1.89795e+04    1.30729e+04    1.20560e+03   -3.01980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88838e+03    9.34067e+04    4.00354e+05   -2.33699e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65882e+04   -2.44561e+06    4.79507e+05   -1.96610e+06    2.47649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10873e+02   -2.06998e+02   -9.09062e+00    6.14523e-06


DD  step 232769999 load imb.: force 13.2%  pme mesh/force 0.747
           Step           Time
      232770000   465540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88541e+03    1.92493e+04    1.29339e+04    1.28106e+03   -3.09052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79506e+03    9.34019e+04    4.00714e+05   -2.33560e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63752e+04   -2.44745e+06    4.78257e+05   -1.96920e+06    2.47654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10063e+02   -2.06752e+02   -5.74306e+01    6.08888e-06


DD  step 232774999 load imb.: force 13.6%  pme mesh/force 0.773
           Step           Time
      232775000   465550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10209e+03    1.94143e+04    1.32165e+04    1.19488e+03   -3.07690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75386e+03    9.31009e+04    4.00799e+05   -2.33790e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64891e+04   -2.44696e+06    4.80569e+05   -1.96639e+06    2.47660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11561e+02   -2.07158e+02   -1.35335e+01    6.18699e-06


DD  step 232779999 load imb.: force 13.7%  pme mesh/force 0.749
           Step           Time
      232780000   465560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10573e+03    1.92846e+04    1.31653e+04    1.24584e+03   -3.09904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81178e+03    9.32608e+04    4.02626e+05   -2.34339e+04   -2.97985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65793e+04   -2.44730e+06    4.81746e+05   -1.96556e+06    2.47666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12325e+02   -2.08133e+02    1.27417e+02    6.10826e-06


DD  step 232784999 load imb.: force 13.6%  pme mesh/force 0.749
           Step           Time
      232785000   465570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96234e+03    1.93750e+04    1.28572e+04    1.17679e+03   -3.05110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69610e+03    9.28993e+04    4.01733e+05   -2.33866e+04   -2.98002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62990e+04   -2.44946e+06    4.78299e+05   -1.97116e+06    2.47673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10090e+02   -2.07294e+02   -1.62172e+01    6.15635e-06


DD  step 232789999 load imb.: force 12.8%  pme mesh/force 0.751
           Step           Time
      232790000   465580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96377e+03    1.94544e+04    1.31346e+04    1.15328e+03   -3.01208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77712e+03    9.34413e+04    3.98802e+05   -2.33701e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65907e+04   -2.44696e+06    4.81471e+05   -1.96549e+06    2.47678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12146e+02   -2.07002e+02   -9.41999e+01    6.15149e-06


DD  step 232794999 load imb.: force 12.2%  pme mesh/force 0.739
           Step           Time
      232795000   465590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02573e+03    1.93564e+04    1.30471e+04    1.15798e+03   -3.14968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79179e+03    9.37636e+04    4.00811e+05   -2.33708e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66393e+04   -2.44641e+06    4.80011e+05   -1.96640e+06    2.47684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11200e+02   -2.07014e+02    3.64787e+01    6.19537e-06


DD  step 232799999 load imb.: force 14.9%  pme mesh/force 0.740
           Step           Time
      232800000   465600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25985e+03    1.93705e+04    1.30417e+04    1.24060e+03   -3.02892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70353e+03    9.28563e+04    4.01793e+05   -2.34012e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64216e+04   -2.44739e+06    4.77320e+05   -1.97007e+06    2.47690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09455e+02   -2.07553e+02   -3.36415e+01    5.94307e-06


DD  step 232804999 load imb.: force 13.5%  pme mesh/force 0.741
           Step           Time
      232805000   465610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95515e+03    1.94249e+04    1.32138e+04    1.17437e+03   -3.04772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81996e+03    9.35987e+04    4.02185e+05   -2.33671e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65026e+04   -2.44696e+06    4.80536e+05   -1.96642e+06    2.47695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11540e+02   -2.06949e+02    2.43863e+01    6.28603e-06


DD  step 232809999 load imb.: force 13.4%  pme mesh/force 0.760
           Step           Time
      232810000   465620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20416e+03    1.93841e+04    1.28645e+04    1.12222e+03   -3.01573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77192e+03    9.32995e+04    4.01024e+05   -2.34062e+04   -2.97961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65701e+04   -2.44879e+06    4.81062e+05   -1.96773e+06    2.47701e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11881e+02   -2.07640e+02   -1.20924e+01    6.09347e-06

Writing checkpoint, step 232814850 at Wed Nov  8 05:01:28 2023



DD  step 232814999 load imb.: force 15.8%  pme mesh/force 0.760
           Step           Time
      232815000   465630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84249e+03    1.92743e+04    1.31275e+04    1.18652e+03   -3.01268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81701e+03    9.31423e+04    3.99290e+05   -2.34377e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65471e+04   -2.44756e+06    4.81977e+05   -1.96559e+06    2.47707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12474e+02   -2.08199e+02    1.16199e+01    6.09725e-06


DD  step 232819999 load imb.: force 14.5%  pme mesh/force 0.720
           Step           Time
      232820000   465640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94203e+03    1.97249e+04    1.29186e+04    1.13945e+03   -3.04779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94353e+03    9.25487e+04    4.00048e+05   -2.34314e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65690e+04   -2.44761e+06    4.80693e+05   -1.96692e+06    2.47713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11642e+02   -2.08087e+02    9.80237e+00    6.05647e-06


DD  step 232824999 load imb.: force 15.4%  pme mesh/force 0.753
           Step           Time
      232825000   465650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95649e+03    1.96928e+04    1.28922e+04    1.14652e+03   -3.09464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75642e+03    9.32202e+04    4.01828e+05   -2.33882e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65795e+04   -2.44924e+06    4.81034e+05   -1.96820e+06    2.47719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.07323e+02    3.67935e+01    6.16603e-06


DD  step 232829999 load imb.: force 14.8%  pme mesh/force 0.769
           Step           Time
      232830000   465660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77937e+03    1.90830e+04    1.31473e+04    1.21802e+03   -3.17330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75707e+03    9.30548e+04    4.01614e+05   -2.33966e+04   -2.98092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66642e+04   -2.45017e+06    4.76247e+05   -1.97392e+06    2.47725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08759e+02   -2.07470e+02    3.85922e+01    6.12888e-06


DD  step 232834999 load imb.: force 14.7%  pme mesh/force 0.737
           Step           Time
      232835000   465670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96085e+03    1.93289e+04    1.30766e+04    1.19107e+03   -3.09043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90826e+03    9.32107e+04    4.03605e+05   -2.33228e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62852e+04   -2.44341e+06    4.81364e+05   -1.96205e+06    2.47730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12077e+02   -2.06166e+02    1.16257e+02    6.14923e-06


DD  step 232839999 load imb.: force 14.2%  pme mesh/force 0.760
           Step           Time
      232840000   465680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35716e+03    1.96778e+04    1.29875e+04    1.17119e+03   -3.09613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77406e+03    9.25281e+04    3.98738e+05   -2.33520e+04   -2.97134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66685e+04   -2.44288e+06    4.81738e+05   -1.96114e+06    2.47736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12319e+02   -2.06682e+02   -7.61029e+01    6.19278e-06


DD  step 232844999 load imb.: force 13.3%  pme mesh/force 0.723
           Step           Time
      232845000   465690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11151e+03    1.90901e+04    1.31695e+04    1.20417e+03   -3.07142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85978e+03    9.23708e+04    3.96576e+05   -2.33399e+04   -2.97094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64789e+04   -2.44549e+06    4.80119e+05   -1.96538e+06    2.47741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11269e+02   -2.06467e+02   -8.72277e+01    6.05890e-06


DD  step 232849999 load imb.: force 15.3%  pme mesh/force 0.758
           Step           Time
      232850000   465700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11165e+03    1.94973e+04    1.30703e+04    1.20590e+03   -3.05653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86341e+03    9.32606e+04    4.01552e+05   -2.34039e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64126e+04   -2.44635e+06    4.80514e+05   -1.96584e+06    2.47748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11526e+02   -2.07600e+02    5.75436e+01    6.01707e-06


DD  step 232854999 load imb.: force 15.7%  pme mesh/force 0.725
           Step           Time
      232855000   465710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14374e+03    1.93025e+04    1.31931e+04    1.22681e+03   -2.97422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72326e+03    9.32836e+04    4.00811e+05   -2.33935e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66835e+04   -2.44461e+06    4.79878e+05   -1.96473e+06    2.47753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.07415e+02    5.75829e+01    6.25644e-06


DD  step 232859999 load imb.: force 14.4%  pme mesh/force 0.764
           Step           Time
      232860000   465720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83755e+03    1.92510e+04    1.28981e+04    1.22885e+03   -3.07773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75603e+03    9.27710e+04    4.00385e+05   -2.33678e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65783e+04   -2.44765e+06    4.77025e+05   -1.97063e+06    2.47759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09264e+02   -2.06961e+02    1.47222e+01    6.05019e-06


DD  step 232864999 load imb.: force 15.3%  pme mesh/force 0.748
           Step           Time
      232865000   465730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91347e+03    1.95075e+04    1.28891e+04    1.16054e+03   -3.08657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81223e+03    9.28333e+04    4.03320e+05   -2.33912e+04   -2.98242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63028e+04   -2.45015e+06    4.79292e+05   -1.97086e+06    2.47765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.07375e+02    3.66688e+01    6.18862e-06


DD  step 232869999 load imb.: force 14.8%  pme mesh/force 0.733
           Step           Time
      232870000   465740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04741e+03    1.95305e+04    1.30904e+04    1.24766e+03   -2.96616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83537e+03    9.24953e+04    3.98848e+05   -2.33821e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65833e+04   -2.44638e+06    4.79889e+05   -1.96649e+06    2.47770e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11120e+02   -2.07213e+02   -1.46572e+01    6.01089e-06


DD  step 232874999 load imb.: force 15.1%  pme mesh/force 0.734
           Step           Time
      232875000   465750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87421e+03    1.93551e+04    1.30345e+04    1.29283e+03   -3.05230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85185e+03    9.29192e+04    3.96436e+05   -2.33614e+04   -2.97214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64974e+04   -2.44629e+06    4.76125e+05   -1.97017e+06    2.47776e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08681e+02   -2.06848e+02   -1.19056e+02    5.99953e-06


DD  step 232879999 load imb.: force 13.9%  pme mesh/force 0.725
           Step           Time
      232880000   465760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01479e+03    1.96101e+04    1.31171e+04    1.14862e+03   -3.14366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75319e+03    9.23815e+04    4.00759e+05   -2.33591e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66115e+04   -2.44572e+06    4.79372e+05   -1.96635e+06    2.47782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10785e+02   -2.06806e+02    1.09992e+01    6.09176e-06


DD  step 232884999 load imb.: force 12.9%  pme mesh/force 0.756
           Step           Time
      232885000   465770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94963e+03    1.93460e+04    1.30652e+04    1.23259e+03   -3.04654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87160e+03    9.30464e+04    3.98949e+05   -2.33450e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67108e+04   -2.44782e+06    4.82584e+05   -1.96524e+06    2.47787e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12868e+02   -2.06557e+02   -5.03780e+01    6.22778e-06


DD  step 232889999 load imb.: force 15.6%  pme mesh/force 0.783
           Step           Time
      232890000   465780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09447e+03    1.92179e+04    1.31584e+04    1.20090e+03   -2.99953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73815e+03    9.27988e+04    3.96837e+05   -2.33453e+04   -2.97261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65579e+04   -2.44636e+06    4.79614e+05   -1.96674e+06    2.47793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10942e+02   -2.06563e+02   -6.98727e+01    6.03976e-06


DD  step 232894999 load imb.: force 14.8%  pme mesh/force 0.742
           Step           Time
      232895000   465790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14397e+03    1.91831e+04    1.31800e+04    1.14629e+03   -3.00302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82265e+03    9.30337e+04    3.99087e+05   -2.33621e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66537e+04   -2.44512e+06    4.79529e+05   -1.96559e+06    2.47799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.06861e+02   -4.20110e+01    5.91040e-06


DD  step 232899999 load imb.: force 13.9%  pme mesh/force 0.737
           Step           Time
      232900000   465800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99845e+03    1.91553e+04    1.29266e+04    1.14099e+03   -3.05586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84722e+03    9.31691e+04    4.01170e+05   -2.34062e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64123e+04   -2.44957e+06    4.81124e+05   -1.96845e+06    2.47805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11921e+02   -2.07640e+02    7.51041e+00    6.11654e-06


DD  step 232904999 load imb.: force 15.3%  pme mesh/force 0.756
           Step           Time
      232905000   465810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03378e+03    1.95113e+04    1.31436e+04    1.21791e+03   -3.07665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73623e+03    9.25058e+04    4.01569e+05   -2.34101e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65277e+04   -2.44657e+06    4.79926e+05   -1.96665e+06    2.47811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11145e+02   -2.07710e+02    3.30047e+01    5.99319e-06


DD  step 232909999 load imb.: force 12.5%  pme mesh/force 0.752
           Step           Time
      232910000   465820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08768e+03    1.92622e+04    1.31274e+04    1.27032e+03   -3.07383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75051e+03    9.20066e+04    4.02453e+05   -2.34006e+04   -2.97925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65843e+04   -2.44818e+06    4.79242e+05   -1.96894e+06    2.47816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10701e+02   -2.07541e+02   -1.29879e+01    6.00769e-06


DD  step 232914999 load imb.: force 13.9%  pme mesh/force 0.740
           Step           Time
      232915000   465830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29486e+03    1.97488e+04    1.31069e+04    1.19960e+03   -3.04452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80591e+03    9.23396e+04    3.99111e+05   -2.34013e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65364e+04   -2.44601e+06    4.77974e+05   -1.96804e+06    2.47822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09879e+02   -2.07554e+02   -5.75789e+01    6.16461e-06


DD  step 232919999 load imb.: force 14.9%  pme mesh/force 0.731
           Step           Time
      232920000   465840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95501e+03    1.94299e+04    1.28625e+04    1.21992e+03   -2.90469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90077e+03    9.27620e+04    4.01473e+05   -2.33579e+04   -2.97922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64224e+04   -2.44846e+06    4.81029e+05   -1.96743e+06    2.47828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11860e+02   -2.06785e+02    2.28257e+01    5.98210e-06


DD  step 232924999 load imb.: force 16.5%  pme mesh/force 0.730
           Step           Time
      232925000   465850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99983e+03    1.98002e+04    1.29386e+04    1.20087e+03   -2.94252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79696e+03    9.25203e+04    3.98270e+05   -2.33752e+04   -2.97166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65165e+04   -2.44393e+06    4.80679e+05   -1.96326e+06    2.47833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11633e+02   -2.07092e+02   -5.80235e+01    6.10937e-06


DD  step 232929999 load imb.: force 15.3%  pme mesh/force 0.746
           Step           Time
      232930000   465860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03601e+03    1.94550e+04    1.28478e+04    1.19210e+03   -2.91800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92571e+03    9.27647e+04    3.98289e+05   -2.33583e+04   -2.97108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65226e+04   -2.44332e+06    4.80116e+05   -1.96321e+06    2.47839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.06793e+02   -1.18162e+01    6.23663e-06


DD  step 232934999 load imb.: force 16.4%  pme mesh/force 0.721
           Step           Time
      232935000   465870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91188e+03    1.96200e+04    1.30774e+04    1.14640e+03   -3.01607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77097e+03    9.27671e+04    4.01235e+05   -2.33376e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66279e+04   -2.44897e+06    4.79189e+05   -1.96978e+06    2.47845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.06426e+02   -2.06049e+01    6.08525e-06


DD  step 232939999 load imb.: force 15.8%  pme mesh/force 0.722
           Step           Time
      232940000   465880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02722e+03    1.95291e+04    1.29946e+04    1.18378e+03   -2.93242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79999e+03    9.27707e+04    4.02122e+05   -2.33830e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64435e+04   -2.44558e+06    4.79134e+05   -1.96644e+06    2.47851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10631e+02   -2.07230e+02    3.56012e+01    6.26373e-06


DD  step 232944999 load imb.: force 15.1%  pme mesh/force 0.754
           Step           Time
      232945000   465890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01220e+03    1.91230e+04    1.30216e+04    1.18342e+03   -3.07875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86320e+03    9.32539e+04    3.99102e+05   -2.33761e+04   -2.97531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66791e+04   -2.44653e+06    4.79478e+05   -1.96705e+06    2.47857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10854e+02   -2.07107e+02    7.87399e-01    6.18051e-06


DD  step 232949999 load imb.: force 14.9%  pme mesh/force 0.783
           Step           Time
      232950000   465900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97339e+03    1.92553e+04    1.32235e+04    1.12396e+03   -3.08118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85864e+03    9.26296e+04    4.02135e+05   -2.34317e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65097e+04   -2.44871e+06    4.79179e+05   -1.96953e+06    2.47863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10660e+02   -2.08092e+02    8.21596e+01    5.97821e-06


DD  step 232954999 load imb.: force 14.0%  pme mesh/force 0.751
           Step           Time
      232955000   465910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90422e+03    1.93100e+04    1.30157e+04    1.14450e+03   -3.01393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.07129e+03    9.22529e+04    4.00780e+05   -2.33812e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63486e+04   -2.44884e+06    4.79438e+05   -1.96940e+06    2.47868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10828e+02   -2.07197e+02    5.95858e+01    5.99066e-06


DD  step 232959999 load imb.: force 14.1%  pme mesh/force 0.752
           Step           Time
      232960000   465920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94677e+03    1.97455e+04    1.31182e+04    1.22196e+03   -3.06618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76860e+03    9.27337e+04    4.01680e+05   -2.33763e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68674e+04   -2.44509e+06    4.79432e+05   -1.96566e+06    2.47874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10824e+02   -2.07112e+02    4.55560e+01    6.08088e-06


DD  step 232964999 load imb.: force 16.0%  pme mesh/force 0.758
           Step           Time
      232965000   465930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08677e+03    1.94509e+04    1.31644e+04    1.22718e+03   -3.07715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90912e+03    9.27983e+04    4.01475e+05   -2.34045e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66325e+04   -2.44526e+06    4.81340e+05   -1.96392e+06    2.47880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12061e+02   -2.07611e+02    7.74026e+01    6.23226e-06


DD  step 232969999 load imb.: force 17.3%  pme mesh/force 0.771
           Step           Time
      232970000   465940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07327e+03    1.93863e+04    1.29333e+04    1.17092e+03   -2.95104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88259e+03    9.22401e+04    3.98138e+05   -2.34096e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63461e+04   -2.44974e+06    4.78976e+05   -1.97076e+06    2.47886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10529e+02   -2.07701e+02   -3.49645e+01    6.14727e-06


DD  step 232974999 load imb.: force 14.9%  pme mesh/force 0.777
           Step           Time
      232975000   465950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06096e+03    1.93482e+04    1.31072e+04    1.12596e+03   -3.06763e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83324e+03    9.27160e+04    3.99223e+05   -2.34138e+04   -2.97402e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67395e+04   -2.44535e+06    4.77634e+05   -1.96772e+06    2.47892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09659e+02   -2.07776e+02   -8.78084e+00    6.20081e-06


DD  step 232979999 load imb.: force 16.8%  pme mesh/force 0.750
           Step           Time
      232980000   465960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11316e+03    1.97049e+04    1.31056e+04    1.09523e+03   -3.12074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71610e+03    9.31144e+04    4.00578e+05   -2.34227e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65166e+04   -2.44581e+06    4.80140e+05   -1.96567e+06    2.47898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.07933e+02    3.22291e+01    6.17145e-06


DD  step 232984999 load imb.: force 13.2%  pme mesh/force 0.721
           Step           Time
      232985000   465970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95191e+03    1.94571e+04    1.29392e+04    1.12992e+03   -3.04608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78564e+03    9.31391e+04    3.98086e+05   -2.33489e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65866e+04   -2.44658e+06    4.80566e+05   -1.96601e+06    2.47903e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11559e+02   -2.06626e+02   -6.46988e+01    6.13055e-06


DD  step 232989999 load imb.: force 15.9%  pme mesh/force 0.788
           Step           Time
      232990000   465980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94775e+03    1.95623e+04    1.31493e+04    1.17893e+03   -3.14084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85545e+03    9.33785e+04    3.98237e+05   -2.34218e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63629e+04   -2.44841e+06    4.79659e+05   -1.96875e+06    2.47909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10972e+02   -2.07918e+02   -3.71352e+01    6.09775e-06


DD  step 232994999 load imb.: force 13.8%  pme mesh/force 0.756
           Step           Time
      232995000   465990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08427e+03    1.91774e+04    1.29559e+04    1.21311e+03   -3.03715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87107e+03    9.32675e+04    3.97505e+05   -2.33647e+04   -2.97196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65229e+04   -2.44476e+06    4.78828e+05   -1.96594e+06    2.47915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10433e+02   -2.06906e+02   -7.60513e+01    6.18729e-06


DD  step 232999999 load imb.: force 15.8%  pme mesh/force 0.799
           Step           Time
      233000000   466000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03181e+03    1.89406e+04    1.28592e+04    1.20778e+03   -2.99481e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02267e+03    9.32937e+04    4.00220e+05   -2.33986e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65076e+04   -2.44714e+06    4.80175e+05   -1.96697e+06    2.47921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11306e+02   -2.07506e+02    5.45704e+01    6.12751e-06


DD  step 233004999 load imb.: force 14.6%  pme mesh/force 0.772
           Step           Time
      233005000   466010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06703e+03    1.95904e+04    1.28779e+04    1.19120e+03   -3.11191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84553e+03    9.30521e+04    4.01011e+05   -2.34016e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66096e+04   -2.44758e+06    4.80381e+05   -1.96720e+06    2.47927e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11440e+02   -2.07559e+02    2.61877e+01    6.19938e-06


DD  step 233009999 load imb.: force 14.6%  pme mesh/force 0.781
           Step           Time
      233010000   466020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16746e+03    1.96436e+04    1.31694e+04    1.15652e+03   -3.12467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86558e+03    9.34967e+04    3.98395e+05   -2.33307e+04   -2.97265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64167e+04   -2.44380e+06    4.79029e+05   -1.96477e+06    2.47933e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10563e+02   -2.06304e+02   -5.32597e+01    6.28054e-06


DD  step 233014999 load imb.: force 15.3%  pme mesh/force 0.790
           Step           Time
      233015000   466030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73023e+03    1.98892e+04    1.30536e+04    1.22139e+03   -3.03526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87467e+03    9.34301e+04    4.00290e+05   -2.34023e+04   -2.97857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62488e+04   -2.44827e+06    4.78422e+05   -1.96984e+06    2.47939e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10170e+02   -2.07572e+02    5.69275e-01    6.03918e-06


DD  step 233019999 load imb.: force 16.5%  pme mesh/force 0.793
           Step           Time
      233020000   466040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81341e+03    1.92191e+04    1.30182e+04    1.23816e+03   -2.92669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02941e+03    9.34241e+04    3.97929e+05   -2.33314e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63252e+04   -2.44788e+06    4.80060e+05   -1.96782e+06    2.47944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11231e+02   -2.06318e+02   -6.80872e+01    6.09408e-06


DD  step 233024999 load imb.: force 13.6%  pme mesh/force 0.757
           Step           Time
      233025000   466050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88306e+03    1.92718e+04    1.28761e+04    1.22068e+03   -3.07233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83360e+03    9.33142e+04    4.01785e+05   -2.33885e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64475e+04   -2.44812e+06    4.79796e+05   -1.96833e+06    2.47950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.07327e+02    1.59464e+00    6.27109e-06


DD  step 233029999 load imb.: force 13.8%  pme mesh/force 0.753
           Step           Time
      233030000   466060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84529e+03    1.95907e+04    1.29233e+04    1.16045e+03   -3.08392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79051e+03    9.27214e+04    4.00801e+05   -2.33507e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65229e+04   -2.44851e+06    4.79463e+05   -1.96905e+06    2.47956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.06658e+02   -3.17403e+01    6.14530e-06


DD  step 233034999 load imb.: force 14.1%  pme mesh/force 0.756
           Step           Time
      233035000   466070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71175e+03    1.96093e+04    1.28055e+04    1.21959e+03   -3.04062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89495e+03    9.27722e+04    4.03245e+05   -2.33723e+04   -2.98141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63308e+04   -2.44923e+06    4.79877e+05   -1.96935e+06    2.47962e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.07040e+02    5.42370e+01    6.07033e-06


DD  step 233039999 load imb.: force 14.0%  pme mesh/force 0.754
           Step           Time
      233040000   466080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88247e+03    1.94002e+04    1.28972e+04    1.14871e+03   -3.01162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81518e+03    9.29425e+04    4.02315e+05   -2.33545e+04   -2.97937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65052e+04   -2.44783e+06    4.78476e+05   -1.96935e+06    2.47968e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10204e+02   -2.06725e+02    3.88529e+01    6.02640e-06


DD  step 233044999 load imb.: force 14.9%  pme mesh/force 0.752
           Step           Time
      233045000   466090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96110e+03    1.95740e+04    1.30645e+04    1.25452e+03   -2.98503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89430e+03    9.31471e+04    4.01113e+05   -2.34017e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65469e+04   -2.44851e+06    4.81045e+05   -1.96746e+06    2.47973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11870e+02   -2.07561e+02    2.67557e+01    6.17569e-06


DD  step 233049999 load imb.: force 13.6%  pme mesh/force 0.752
           Step           Time
      233050000   466100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77789e+03    1.95193e+04    1.28783e+04    1.19064e+03   -3.01648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88018e+03    9.31712e+04    4.00136e+05   -2.33821e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63333e+04   -2.44567e+06    4.81034e+05   -1.96464e+06    2.47979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.07214e+02    8.78543e+00    6.21418e-06


DD  step 233054999 load imb.: force 14.8%  pme mesh/force 0.773
           Step           Time
      233055000   466110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05179e+03    1.94799e+04    1.28566e+04    1.19901e+03   -3.07951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81474e+03    9.30028e+04    4.03941e+05   -2.33763e+04   -2.98047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66260e+04   -2.44695e+06    4.79673e+05   -1.96728e+06    2.47985e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.07111e+02    1.04755e+02    6.12528e-06


DD  step 233059999 load imb.: force 15.2%  pme mesh/force 0.767
           Step           Time
      233060000   466120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11417e+03    1.93097e+04    1.29083e+04    1.27755e+03   -2.97994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82643e+03    9.29198e+04    4.01517e+05   -2.33958e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64787e+04   -2.44870e+06    4.77554e+05   -1.97114e+06    2.47991e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09607e+02   -2.07457e+02    2.90032e+01    6.20349e-06


DD  step 233064999 load imb.: force 14.6%  pme mesh/force 0.786
           Step           Time
      233065000   466130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97027e+03    1.92778e+04    1.31107e+04    1.17433e+03   -3.03616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77947e+03    9.30005e+04    3.99702e+05   -2.34269e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65959e+04   -2.44770e+06    4.80261e+05   -1.96744e+06    2.47997e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11362e+02   -2.08008e+02   -5.45035e+01    6.12969e-06


DD  step 233069999 load imb.: force 14.7%  pme mesh/force 0.776
           Step           Time
      233070000   466140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74422e+03    1.95182e+04    1.28497e+04    1.19268e+03   -2.97922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98794e+03    9.31583e+04    4.01407e+05   -2.34041e+04   -2.97745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64758e+04   -2.44650e+06    4.80648e+05   -1.96586e+06    2.48002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11613e+02   -2.07604e+02    1.38498e+02    6.11019e-06


DD  step 233074999 load imb.: force 13.9%  pme mesh/force 0.767
           Step           Time
      233075000   466150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77660e+03    1.95030e+04    1.29576e+04    1.19585e+03   -2.97235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84036e+03    9.29736e+04    4.00983e+05   -2.34326e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65690e+04   -2.44831e+06    4.80095e+05   -1.96821e+06    2.48008e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.08108e+02    6.47246e+01    6.24391e-06


DD  step 233079999 load imb.: force 15.1%  pme mesh/force 0.780
           Step           Time
      233080000   466160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04746e+03    1.92982e+04    1.30675e+04    1.13271e+03   -2.90287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89074e+03    9.30059e+04    4.01351e+05   -2.33662e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64193e+04   -2.44835e+06    4.80340e+05   -1.96801e+06    2.48015e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.06933e+02   -3.81578e+00    6.07296e-06


DD  step 233084999 load imb.: force 15.2%  pme mesh/force 0.773
           Step           Time
      233085000   466170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00301e+03    1.96790e+04    1.29972e+04    1.17460e+03   -3.12079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79533e+03    9.29816e+04    4.00958e+05   -2.33624e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63716e+04   -2.44691e+06    4.80985e+05   -1.96593e+06    2.48020e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11831e+02   -2.06865e+02    5.08496e+01    6.00380e-06


DD  step 233089999 load imb.: force 15.8%  pme mesh/force 0.769
           Step           Time
      233090000   466180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03068e+03    1.93910e+04    1.30503e+04    1.24267e+03   -2.98230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82145e+03    9.26122e+04    3.99097e+05   -2.33959e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64109e+04   -2.44783e+06    4.79163e+05   -1.96866e+06    2.48026e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10650e+02   -2.07459e+02   -2.22509e+01    6.07915e-06


DD  step 233094999 load imb.: force 14.9%  pme mesh/force 0.745
           Step           Time
      233095000   466190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80219e+03    1.95051e+04    1.31799e+04    1.17596e+03   -3.00519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91148e+03    9.33267e+04    3.99077e+05   -2.33432e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62749e+04   -2.44675e+06    4.78150e+05   -1.96860e+06    2.48032e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09993e+02   -2.06525e+02   -2.22770e+01    6.21866e-06


DD  step 233099999 load imb.: force 15.8%  pme mesh/force 0.748
           Step           Time
      233100000   466200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91670e+03    1.99499e+04    1.29790e+04    1.05205e+03   -3.03047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85051e+03    9.25837e+04    4.00499e+05   -2.34112e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64821e+04   -2.44765e+06    4.80179e+05   -1.96748e+06    2.48037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.07729e+02    3.43988e+01    6.15014e-06


DD  step 233104999 load imb.: force 14.2%  pme mesh/force 0.744
           Step           Time
      233105000   466210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05515e+03    1.93208e+04    1.30940e+04    1.18534e+03   -3.04525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86998e+03    9.30145e+04    4.01795e+05   -2.33312e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65368e+04   -2.44543e+06    4.81074e+05   -1.96435e+06    2.48043e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11889e+02   -2.06313e+02    2.45195e+01    6.05876e-06


DD  step 233109999 load imb.: force 17.1%  pme mesh/force 0.750
           Step           Time
      233110000   466220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97209e+03    1.92174e+04    1.29859e+04    1.17587e+03   -3.05350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88443e+03    9.30827e+04    3.99344e+05   -2.33413e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63993e+04   -2.44708e+06    4.80081e+05   -1.96700e+06    2.48048e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11245e+02   -2.06493e+02   -6.06773e+00    6.00884e-06


DD  step 233114999 load imb.: force 14.8%  pme mesh/force 0.750
           Step           Time
      233115000   466230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88141e+03    1.92708e+04    1.30492e+04    1.17116e+03   -3.00165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82927e+03    9.33316e+04    3.97760e+05   -2.33756e+04   -2.97362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63069e+04   -2.44639e+06    4.77654e+05   -1.96874e+06    2.48055e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09672e+02   -2.07098e+02   -1.03891e+02    6.12838e-06


DD  step 233119999 load imb.: force 15.7%  pme mesh/force 0.785
           Step           Time
      233120000   466240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08148e+03    1.95432e+04    1.29918e+04    1.24503e+03   -3.09575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73726e+03    9.26157e+04    3.98929e+05   -2.34011e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65824e+04   -2.44790e+06    4.80669e+05   -1.96724e+06    2.48060e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11626e+02   -2.07551e+02   -7.86847e+01    5.93380e-06


DD  step 233124999 load imb.: force 16.6%  pme mesh/force 0.761
           Step           Time
      233125000   466250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07549e+03    1.95035e+04    1.30522e+04    1.05974e+03   -2.99460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77103e+03    9.30934e+04    4.00419e+05   -2.33860e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65109e+04   -2.44595e+06    4.80582e+05   -1.96537e+06    2.48066e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11570e+02   -2.07283e+02   -5.86695e+01    6.17880e-06


DD  step 233129999 load imb.: force 16.9%  pme mesh/force 0.768
           Step           Time
      233130000   466260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01318e+03    1.95708e+04    1.31108e+04    1.12221e+03   -3.15317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67471e+03    9.30900e+04    4.02824e+05   -2.34016e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65869e+04   -2.44626e+06    4.79254e+05   -1.96701e+06    2.48072e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.07560e+02    5.46460e+01    5.86562e-06


DD  step 233134999 load imb.: force 14.8%  pme mesh/force 0.759
           Step           Time
      233135000   466270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00356e+03    1.92774e+04    1.30474e+04    1.21700e+03   -3.12353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64508e+03    9.29342e+04    3.95980e+05   -2.33588e+04   -2.97038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64116e+04   -2.44534e+06    4.78623e+05   -1.96672e+06    2.48077e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10300e+02   -2.06802e+02   -1.67925e+02    5.95991e-06


DD  step 233139999 load imb.: force 16.6%  pme mesh/force 0.784
           Step           Time
      233140000   466280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07779e+03    1.98875e+04    1.29767e+04    1.16011e+03   -2.97597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72853e+03    9.28675e+04    4.00456e+05   -2.33567e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64988e+04   -2.44381e+06    4.79249e+05   -1.96456e+06    2.48084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10705e+02   -2.06764e+02    1.24061e+01    6.06588e-06


DD  step 233144999 load imb.: force 13.4%  pme mesh/force 0.714
           Step           Time
      233145000   466290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92080e+03    1.91184e+04    1.31289e+04    1.15478e+03   -3.09973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91893e+03    9.34347e+04    3.97375e+05   -2.33884e+04   -2.97359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.44647e+06    4.78578e+05   -1.96789e+06    2.48089e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10271e+02   -2.07326e+02   -3.55582e+01    5.98978e-06


DD  step 233149999 load imb.: force 14.8%  pme mesh/force 0.759
           Step           Time
      233150000   466300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07662e+03    1.94596e+04    1.29894e+04    1.16371e+03   -3.00497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73181e+03    9.31662e+04    3.99379e+05   -2.33865e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66351e+04   -2.44569e+06    4.81101e+05   -1.96459e+06    2.48095e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11907e+02   -2.07292e+02    4.28365e+00    5.89903e-06

Writing checkpoint, step 233153800 at Wed Nov  8 05:16:28 2023



DD  step 233154999 load imb.: force 14.7%  pme mesh/force 0.751
           Step           Time
      233155000   466310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08384e+03    1.95074e+04    1.30186e+04    1.20384e+03   -3.00560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85280e+03    9.29406e+04    3.98664e+05   -2.33774e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67579e+04   -2.44561e+06    4.78615e+05   -1.96700e+06    2.48101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10295e+02   -2.07131e+02   -4.89941e+01    5.82634e-06


DD  step 233159999 load imb.: force 17.2%  pme mesh/force 0.787
           Step           Time
      233160000   466320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92388e+03    1.91545e+04    1.29394e+04    1.25853e+03   -2.97749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84643e+03    9.31228e+04    4.00743e+05   -2.34105e+04   -2.97851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64596e+04   -2.44845e+06    4.77410e+05   -1.97104e+06    2.48107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09514e+02   -2.07716e+02    2.32913e+01    6.08645e-06


DD  step 233164999 load imb.: force 17.2%  pme mesh/force 0.774
           Step           Time
      233165000   466330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96287e+03    1.97935e+04    1.30893e+04    1.21941e+03   -2.96498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73784e+03    9.28544e+04    4.01580e+05   -2.33856e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66141e+04   -2.44729e+06    4.79872e+05   -1.96742e+06    2.48113e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11110e+02   -2.07276e+02   -1.17856e+01    5.99752e-06


DD  step 233169999 load imb.: force 14.3%  pme mesh/force 0.752
           Step           Time
      233170000   466340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96499e+03    1.92926e+04    1.30047e+04    1.13033e+03   -2.96920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68039e+03    9.34717e+04    4.01494e+05   -2.33814e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67602e+04   -2.44595e+06    4.78501e+05   -1.96745e+06    2.48118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.07201e+02    1.30174e+01    5.97342e-06


DD  step 233174999 load imb.: force 18.2%  pme mesh/force 0.770
           Step           Time
      233175000   466350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06953e+03    1.91982e+04    1.32241e+04    1.16811e+03   -3.04203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86632e+03    9.29996e+04    4.01136e+05   -2.33227e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65723e+04   -2.44534e+06    4.80876e+05   -1.96446e+06    2.48123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11761e+02   -2.06164e+02   -8.44025e+00    5.88950e-06


DD  step 233179999 load imb.: force 15.1%  pme mesh/force 0.771
           Step           Time
      233180000   466360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13837e+03    1.93919e+04    1.31600e+04    1.15618e+03   -2.99072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90897e+03    9.29622e+04    3.98465e+05   -2.33625e+04   -2.97447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65744e+04   -2.44607e+06    4.80013e+05   -1.96606e+06    2.48130e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11201e+02   -2.06867e+02   -7.03976e+01    5.99915e-06


DD  step 233184999 load imb.: force 16.5%  pme mesh/force 0.761
           Step           Time
      233185000   466370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09738e+03    1.95474e+04    1.31988e+04    1.21024e+03   -3.10242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00870e+03    9.30684e+04    4.03185e+05   -2.34160e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65966e+04   -2.44529e+06    4.80130e+05   -1.96516e+06    2.48136e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11277e+02   -2.07815e+02    1.34821e+02    5.96862e-06


DD  step 233189999 load imb.: force 17.0%  pme mesh/force 0.752
           Step           Time
      233190000   466380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09102e+03    1.95183e+04    1.32508e+04    1.20825e+03   -3.09635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89063e+03    9.30800e+04    4.00108e+05   -2.33563e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65626e+04   -2.44581e+06    4.80287e+05   -1.96552e+06    2.48141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.06758e+02   -8.97136e+00    5.92457e-06


DD  step 233194999 load imb.: force 14.7%  pme mesh/force 0.754
           Step           Time
      233195000   466390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15302e+03    1.93678e+04    1.30689e+04    1.17819e+03   -3.05762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77864e+03    9.34785e+04    3.99464e+05   -2.33340e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67301e+04   -2.44586e+06    4.80410e+05   -1.96545e+06    2.48147e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11458e+02   -2.06363e+02   -4.96953e+01    6.12086e-06


DD  step 233199999 load imb.: force 16.8%  pme mesh/force 0.762
           Step           Time
      233200000   466400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08008e+03    1.91222e+04    1.28218e+04    1.15269e+03   -3.03707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74744e+03    9.29039e+04    4.03524e+05   -2.33702e+04   -2.98391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64086e+04   -2.45156e+06    4.78209e+05   -1.97335e+06    2.48153e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10032e+02   -2.07004e+02    1.28006e+01    5.91854e-06


DD  step 233204999 load imb.: force 16.8%  pme mesh/force 0.780
           Step           Time
      233205000   466410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00703e+03    1.93260e+04    1.32524e+04    1.13098e+03   -3.14839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75385e+03    9.32827e+04    4.02144e+05   -2.33745e+04   -2.98146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68137e+04   -2.44927e+06    4.78996e+05   -1.97028e+06    2.48158e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10541e+02   -2.07079e+02    2.72050e+01    5.83781e-06


DD  step 233209999 load imb.: force 17.0%  pme mesh/force 0.738
           Step           Time
      233210000   466420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09613e+03    1.93476e+04    1.32573e+04    1.21031e+03   -3.03499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67846e+03    9.35425e+04    4.01542e+05   -2.33875e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63378e+04   -2.44590e+06    4.81421e+05   -1.96448e+06    2.48164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12114e+02   -2.07310e+02    4.20946e+01    5.96105e-06


DD  step 233214999 load imb.: force 16.5%  pme mesh/force 0.730
           Step           Time
      233215000   466430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19972e+03    1.91709e+04    1.30927e+04    1.19967e+03   -3.24050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81247e+03    9.30123e+04    4.00055e+05   -2.33936e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65489e+04   -2.44896e+06    4.79882e+05   -1.96907e+06    2.48170e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11116e+02   -2.07418e+02   -3.27620e+01    5.83204e-06


DD  step 233219999 load imb.: force 15.9%  pme mesh/force 0.728
           Step           Time
      233220000   466440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87689e+03    1.94508e+04    1.33440e+04    1.27362e+03   -3.02712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78648e+03    9.35066e+04    3.99688e+05   -2.33491e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65734e+04   -2.44407e+06    4.77914e+05   -1.96615e+06    2.48175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.06630e+02   -3.84155e+01    5.84477e-06


DD  step 233224999 load imb.: force 17.1%  pme mesh/force 0.722
           Step           Time
      233225000   466450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92116e+03    1.93394e+04    1.30413e+04    1.15012e+03   -3.08294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94267e+03    9.31211e+04    3.99778e+05   -2.33589e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65462e+04   -2.44868e+06    4.78346e+05   -1.97033e+06    2.48181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10121e+02   -2.06803e+02    7.23363e+00    5.77500e-06


DD  step 233229999 load imb.: force 15.4%  pme mesh/force 0.756
           Step           Time
      233230000   466460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93550e+03    1.93979e+04    1.32517e+04    1.24614e+03   -3.04733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80884e+03    9.38634e+04    3.98453e+05   -2.33853e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66304e+04   -2.44900e+06    4.79247e+05   -1.96976e+06    2.48187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.07271e+02   -5.06441e+01    5.97685e-06


DD  step 233234999 load imb.: force 15.0%  pme mesh/force 0.740
           Step           Time
      233235000   466470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07933e+03    1.96534e+04    1.30938e+04    1.23080e+03   -3.10178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70464e+03    9.31118e+04    4.00121e+05   -2.33665e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65612e+04   -2.44705e+06    4.80006e+05   -1.96704e+06    2.48192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.06937e+02   -2.48177e+01    5.98966e-06


DD  step 233239999 load imb.: force 19.7%  pme mesh/force 0.767
           Step           Time
      233240000   466480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17033e+03    1.95640e+04    1.29911e+04    1.16954e+03   -3.05786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82445e+03    9.31638e+04    4.00353e+05   -2.34091e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64870e+04   -2.44853e+06    4.80984e+05   -1.96755e+06    2.48198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11831e+02   -2.07692e+02    3.27193e+01    5.99681e-06


DD  step 233244999 load imb.: force 16.8%  pme mesh/force 0.729
           Step           Time
      233245000   466490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89809e+03    1.95420e+04    1.29118e+04    1.17251e+03   -2.97266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87819e+03    9.33956e+04    4.01017e+05   -2.33974e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64588e+04   -2.44625e+06    4.81093e+05   -1.96516e+06    2.48204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11901e+02   -2.07485e+02    6.67585e+01    6.05791e-06


DD  step 233249999 load imb.: force 18.0%  pme mesh/force 0.758
           Step           Time
      233250000   466500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96241e+03    1.94672e+04    1.28654e+04    1.16073e+03   -3.03586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79321e+03    9.31635e+04    4.02176e+05   -2.34223e+04   -2.98298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63800e+04   -2.45147e+06    4.79070e+05   -1.97240e+06    2.48209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10589e+02   -2.07927e+02    2.90036e+01    5.72998e-06


DD  step 233254999 load imb.: force 17.3%  pme mesh/force 0.770
           Step           Time
      233255000   466510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12869e+03    1.91349e+04    1.28967e+04    1.15980e+03   -2.98336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74461e+03    9.33687e+04    4.01693e+05   -2.33918e+04   -2.98060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65580e+04   -2.44929e+06    4.76885e+05   -1.97240e+06    2.48215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09173e+02   -2.07386e+02    6.21735e-01    5.86259e-06


DD  step 233259999 load imb.: force 16.8%  pme mesh/force 0.778
           Step           Time
      233260000   466520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01520e+03    1.90593e+04    1.29062e+04    1.25021e+03   -3.02384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94035e+03    9.34930e+04    4.01141e+05   -2.33557e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65998e+04   -2.44698e+06    4.81006e+05   -1.96598e+06    2.48220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11845e+02   -2.06747e+02    1.20199e+01    6.07259e-06


DD  step 233264999 load imb.: force 16.7%  pme mesh/force 0.803
           Step           Time
      233265000   466530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95880e+03    1.94731e+04    1.29992e+04    1.16140e+03   -3.21746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76227e+03    9.30887e+04    4.01783e+05   -2.34431e+04   -2.98195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64365e+04   -2.45095e+06    4.78389e+05   -1.97256e+06    2.48227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10148e+02   -2.08295e+02   -1.15913e+00    5.76863e-06


DD  step 233269999 load imb.: force 15.9%  pme mesh/force 0.764
           Step           Time
      233270000   466540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90040e+03    1.93587e+04    1.31810e+04    1.22937e+03   -3.09857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93917e+03    9.33585e+04    4.00011e+05   -2.34139e+04   -2.97966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64353e+04   -2.44976e+06    4.79359e+05   -1.97040e+06    2.48232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.07777e+02   -2.93868e+01    6.03072e-06


DD  step 233274999 load imb.: force 16.6%  pme mesh/force 0.797
           Step           Time
      233275000   466550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05440e+03    1.96285e+04    1.31179e+04    1.13139e+03   -3.12003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79322e+03    9.32751e+04    3.99244e+05   -2.33761e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64258e+04   -2.44691e+06    4.81280e+05   -1.96563e+06    2.48238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12022e+02   -2.07107e+02   -3.15050e+01    6.06451e-06


DD  step 233279999 load imb.: force 16.1%  pme mesh/force 0.774
           Step           Time
      233280000   466560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98609e+03    1.96647e+04    1.30037e+04    1.21377e+03   -2.96376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80933e+03    9.34591e+04    4.00824e+05   -2.34310e+04   -2.97513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64135e+04   -2.44415e+06    4.79986e+05   -1.96416e+06    2.48244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11184e+02   -2.08081e+02    8.84252e+01    6.18644e-06


DD  step 233284999 load imb.: force 14.8%  pme mesh/force 0.726
           Step           Time
      233285000   466570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08127e+03    1.94861e+04    1.30729e+04    1.16322e+03   -3.07250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78548e+03    9.30230e+04    3.98313e+05   -2.34113e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64490e+04   -2.44690e+06    4.81688e+05   -1.96522e+06    2.48249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12287e+02   -2.07730e+02   -5.14093e+01    6.04093e-06


DD  step 233289999 load imb.: force 16.3%  pme mesh/force 0.754
           Step           Time
      233290000   466580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16407e+03    1.90671e+04    1.33497e+04    1.23486e+03   -2.98748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78005e+03    9.34581e+04    4.01506e+05   -2.33959e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65654e+04   -2.44624e+06    4.80310e+05   -1.96593e+06    2.48255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11394e+02   -2.07458e+02   -5.51822e+00    6.16900e-06


DD  step 233294999 load imb.: force 16.4%  pme mesh/force 0.742
           Step           Time
      233295000   466590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28538e+03    1.94296e+04    1.32750e+04    1.19303e+03   -3.15197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76907e+03    9.32910e+04    4.00155e+05   -2.33904e+04   -2.97531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64260e+04   -2.44502e+06    4.81417e+05   -1.96361e+06    2.48261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12111e+02   -2.07361e+02    5.00946e-01    6.13729e-06


DD  step 233299999 load imb.: force 16.4%  pme mesh/force 0.744
           Step           Time
      233300000   466600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10643e+03    1.94865e+04    1.31519e+04    1.28875e+03   -3.03804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76275e+03    9.31106e+04    3.97277e+05   -2.33673e+04   -2.97380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65719e+04   -2.44645e+06    4.80440e+05   -1.96601e+06    2.48266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.06952e+02   -1.09130e+02    6.22555e-06


DD  step 233304999 load imb.: force 15.7%  pme mesh/force 0.807
           Step           Time
      233305000   466610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96965e+03    1.91529e+04    1.33702e+04    1.24709e+03   -3.05675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90811e+03    9.39649e+04    4.00110e+05   -2.34484e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64568e+04   -2.44803e+06    4.81441e+05   -1.96659e+06    2.48272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12127e+02   -2.08390e+02    2.78570e+01    5.99531e-06


DD  step 233309999 load imb.: force 16.9%  pme mesh/force 0.768
           Step           Time
      233310000   466620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25748e+03    1.96978e+04    1.29567e+04    1.10786e+03   -3.13353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72966e+03    9.32591e+04    3.98906e+05   -2.33834e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64424e+04   -2.44808e+06    4.82025e+05   -1.96606e+06    2.48278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12506e+02   -2.07236e+02   -2.32904e+01    5.98705e-06


DD  step 233314999 load imb.: force 16.1%  pme mesh/force 0.765
           Step           Time
      233315000   466630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82592e+03    1.97076e+04    1.30400e+04    1.13651e+03   -3.11230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82748e+03    9.34364e+04    4.01591e+05   -2.34019e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63317e+04   -2.44662e+06    4.78129e+05   -1.96849e+06    2.48284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09980e+02   -2.07565e+02    3.30957e+01    5.94295e-06


DD  step 233319999 load imb.: force 18.0%  pme mesh/force 0.828
           Step           Time
      233320000   466640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79527e+03    1.95699e+04    1.29605e+04    1.21187e+03   -3.08820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89394e+03    9.35856e+04    3.97680e+05   -2.33754e+04   -2.97363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65886e+04   -2.44581e+06    4.78486e+05   -1.96733e+06    2.48289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.07095e+02   -5.30229e+01    5.91774e-06


DD  step 233324999 load imb.: force 17.4%  pme mesh/force 0.748
           Step           Time
      233325000   466650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06231e+03    1.95536e+04    1.31497e+04    1.23056e+03   -3.04449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86163e+03    9.35014e+04    3.99833e+05   -2.34062e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62298e+04   -2.44694e+06    4.79433e+05   -1.96751e+06    2.48295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10825e+02   -2.07640e+02    3.90571e+01    5.92205e-06


DD  step 233329999 load imb.: force 15.4%  pme mesh/force 0.764
           Step           Time
      233330000   466660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05667e+03    1.96914e+04    1.31974e+04    1.15870e+03   -3.15641e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01177e+03    9.32723e+04    4.00393e+05   -2.34148e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65819e+04   -2.44631e+06    4.79613e+05   -1.96670e+06    2.48301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10942e+02   -2.07793e+02    4.69319e+01    6.00639e-06


DD  step 233334999 load imb.: force 16.4%  pme mesh/force 0.788
           Step           Time
      233335000   466670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23718e+03    1.95561e+04    1.31295e+04    1.20844e+03   -3.00182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90250e+03    9.26862e+04    3.99962e+05   -2.34278e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65647e+04   -2.44469e+06    4.81767e+05   -1.96292e+06    2.48307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12338e+02   -2.08023e+02    4.31186e+01    5.79199e-06


DD  step 233339999 load imb.: force 17.0%  pme mesh/force 0.758
           Step           Time
      233340000   466680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99583e+03    1.92845e+04    1.31181e+04    1.21405e+03   -3.06589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90087e+03    9.33250e+04    4.02330e+05   -2.33842e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65180e+04   -2.44649e+06    4.78774e+05   -1.96772e+06    2.48312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10398e+02   -2.07251e+02    8.49347e+01    5.95056e-06


DD  step 233344999 load imb.: force 18.4%  pme mesh/force 0.746
           Step           Time
      233345000   466690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01591e+03    1.92278e+04    1.30277e+04    1.23047e+03   -3.03097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90622e+03    9.31969e+04    4.02922e+05   -2.33764e+04   -2.98208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63960e+04   -2.44957e+06    4.80943e+05   -1.96862e+06    2.48318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11804e+02   -2.07114e+02    3.46637e+01    5.84402e-06


DD  step 233349999 load imb.: force 17.1%  pme mesh/force 0.784
           Step           Time
      233350000   466700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98787e+03    1.91959e+04    1.32010e+04    1.22311e+03   -3.12349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94784e+03    9.32713e+04    3.99690e+05   -2.33725e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66304e+04   -2.44710e+06    4.78530e+05   -1.96857e+06    2.48324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10239e+02   -2.07045e+02   -1.50817e+01    5.94293e-06


DD  step 233354999 load imb.: force 16.5%  pme mesh/force 0.747
           Step           Time
      233355000   466710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77345e+03    1.94333e+04    1.30919e+04    1.14075e+03   -2.98029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81720e+03    9.31772e+04    3.98188e+05   -2.33718e+04   -2.97315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64070e+04   -2.44547e+06    4.79062e+05   -1.96641e+06    2.48330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10584e+02   -2.07032e+02   -2.94856e+01    5.76434e-06


DD  step 233359999 load imb.: force 16.0%  pme mesh/force 0.736
           Step           Time
      233360000   466720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24489e+03    1.93312e+04    1.29075e+04    1.23894e+03   -2.99910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73783e+03    9.28619e+04    4.00368e+05   -2.33660e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65742e+04   -2.44601e+06    4.81577e+05   -1.96444e+06    2.48335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12215e+02   -2.06930e+02   -2.69698e+01    5.93612e-06


DD  step 233364999 load imb.: force 16.9%  pme mesh/force 0.775
           Step           Time
      233365000   466730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13691e+03    1.94280e+04    1.28530e+04    1.16401e+03   -2.95313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79495e+03    9.29558e+04    4.00012e+05   -2.34103e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65806e+04   -2.44677e+06    4.78452e+05   -1.96832e+06    2.48342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10189e+02   -2.07714e+02    5.27310e+00    5.80777e-06


DD  step 233369999 load imb.: force 17.2%  pme mesh/force 0.762
           Step           Time
      233370000   466740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88618e+03    1.94391e+04    1.31100e+04    1.19199e+03   -2.99621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71222e+03    9.38607e+04    3.99520e+05   -2.33610e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64319e+04   -2.44508e+06    4.77301e+05   -1.96778e+06    2.48347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09443e+02   -2.06841e+02   -3.91650e+01    5.89712e-06


DD  step 233374999 load imb.: force 18.6%  pme mesh/force 0.780
           Step           Time
      233375000   466750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03812e+03    1.91262e+04    1.31287e+04    1.26783e+03   -2.99807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76594e+03    9.27854e+04    4.02436e+05   -2.33898e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65486e+04   -2.44813e+06    4.79559e+05   -1.96857e+06    2.48353e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.07350e+02    5.25784e+01    5.90386e-06


DD  step 233379999 load imb.: force 18.0%  pme mesh/force 0.785
           Step           Time
      233380000   466760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10650e+03    1.94394e+04    1.31149e+04    1.28764e+03   -3.07131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81612e+03    9.26362e+04    4.01705e+05   -2.33250e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66119e+04   -2.44519e+06    4.80967e+05   -1.96422e+06    2.48358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11819e+02   -2.06205e+02   -3.28743e+01    5.89339e-06


DD  step 233384999 load imb.: force 16.7%  pme mesh/force 0.759
           Step           Time
      233385000   466770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11197e+03    1.94921e+04    1.30741e+04    1.17975e+03   -3.09509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66930e+03    9.29876e+04    4.01892e+05   -2.33588e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66205e+04   -2.44604e+06    4.79910e+05   -1.96613e+06    2.48364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.06802e+02    2.98178e+01    5.92760e-06


DD  step 233389999 load imb.: force 16.9%  pme mesh/force 0.749
           Step           Time
      233390000   466780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07797e+03    1.93820e+04    1.31248e+04    1.28472e+03   -2.90057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70572e+03    9.29668e+04    3.99917e+05   -2.33683e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66404e+04   -2.44621e+06    4.78920e+05   -1.96729e+06    2.48370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10492e+02   -2.06969e+02   -5.64151e+01    5.72514e-06


DD  step 233394999 load imb.: force 19.0%  pme mesh/force 0.776
           Step           Time
      233395000   466790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96784e+03    1.90956e+04    1.30407e+04    1.07741e+03   -3.13867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81288e+03    9.34262e+04    3.98640e+05   -2.33947e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63801e+04   -2.44845e+06    4.77582e+05   -1.97087e+06    2.48375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09625e+02   -2.07437e+02   -2.98676e+01    5.67512e-06


DD  step 233399999 load imb.: force 16.7%  pme mesh/force 0.759
           Step           Time
      233400000   466800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09185e+03    1.95798e+04    1.31880e+04    1.19543e+03   -3.06558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86886e+03    9.32461e+04    4.00087e+05   -2.33522e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64644e+04   -2.44585e+06    4.80180e+05   -1.96567e+06    2.48382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.06685e+02   -1.52834e+01    5.68937e-06


DD  step 233404999 load imb.: force 15.8%  pme mesh/force 0.752
           Step           Time
      233405000   466810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93225e+03    1.95234e+04    1.28659e+04    1.15576e+03   -3.15487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76869e+03    9.32622e+04    4.02393e+05   -2.34310e+04   -2.98200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65846e+04   -2.45010e+06    4.80656e+05   -1.96944e+06    2.48387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11618e+02   -2.08081e+02    3.65220e+01    5.81215e-06


DD  step 233409999 load imb.: force 16.6%  pme mesh/force 0.753
           Step           Time
      233410000   466820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19433e+03    1.93217e+04    1.29728e+04    1.20706e+03   -3.06015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72703e+03    9.31570e+04    3.99652e+05   -2.33504e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65529e+04   -2.44612e+06    4.79858e+05   -1.96626e+06    2.48393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11101e+02   -2.06653e+02   -5.16910e+01    5.93265e-06


DD  step 233414999 load imb.: force 17.2%  pme mesh/force 0.725
           Step           Time
      233415000   466830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94123e+03    1.94339e+04    1.29464e+04    1.18879e+03   -3.05037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87415e+03    9.31433e+04    4.00414e+05   -2.33637e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64581e+04   -2.44554e+06    4.77907e+05   -1.96763e+06    2.48399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09836e+02   -2.06888e+02    5.45573e+01    5.82193e-06


DD  step 233419999 load imb.: force 18.3%  pme mesh/force 0.747
           Step           Time
      233420000   466840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70812e+03    1.95087e+04    1.29733e+04    1.15482e+03   -3.03568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82195e+03    9.34382e+04    4.03469e+05   -2.34345e+04   -2.98476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66026e+04   -2.45155e+06    4.80007e+05   -1.97155e+06    2.48405e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11197e+02   -2.08142e+02    7.24106e+01    5.77385e-06


DD  step 233424999 load imb.: force 17.1%  pme mesh/force 0.770
           Step           Time
      233425000   466850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00644e+03    1.94545e+04    1.30769e+04    1.23147e+03   -3.10881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79371e+03    9.29762e+04    4.02031e+05   -2.33887e+04   -2.97964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64855e+04   -2.44809e+06    4.78354e+05   -1.96973e+06    2.48411e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10125e+02   -2.07330e+02    3.19107e+01    5.92198e-06


DD  step 233429999 load imb.: force 19.5%  pme mesh/force 0.802
           Step           Time
      233430000   466860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97217e+03    1.92814e+04    1.29494e+04    1.29642e+03   -3.13833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88634e+03    9.33577e+04    3.99682e+05   -2.33499e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64538e+04   -2.44888e+06    4.79516e+05   -1.96936e+06    2.48416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.06645e+02   -5.62165e+01    5.80374e-06


DD  step 233434999 load imb.: force 16.9%  pme mesh/force 0.749
           Step           Time
      233435000   466870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91426e+03    1.96687e+04    1.31272e+04    1.17831e+03   -3.03194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71619e+03    9.26358e+04    3.99308e+05   -2.33021e+04   -2.97159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65986e+04   -2.44278e+06    4.81292e+05   -1.96148e+06    2.48422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12030e+02   -2.05801e+02   -9.23326e+01    5.84465e-06


DD  step 233439999 load imb.: force 16.6%  pme mesh/force 0.759
           Step           Time
      233440000   466880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87114e+03    1.94422e+04    1.30405e+04    1.21312e+03   -3.09962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72845e+03    9.30536e+04    3.99290e+05   -2.34201e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65870e+04   -2.44723e+06    4.78752e+05   -1.96848e+06    2.48428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.07887e+02   -3.47550e+01    5.76480e-06


DD  step 233444999 load imb.: force 20.8%  pme mesh/force 0.752
           Step           Time
      233445000   466890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79859e+03    1.91702e+04    1.30064e+04    1.10742e+03   -3.14811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83199e+03    9.32860e+04    3.98906e+05   -2.33248e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66667e+04   -2.44882e+06    4.78765e+05   -1.97006e+06    2.48433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.06201e+02   -1.06692e+02    5.64012e-06


DD  step 233449999 load imb.: force 18.4%  pme mesh/force 0.769
           Step           Time
      233450000   466900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07604e+03    1.95962e+04    1.28156e+04    1.20129e+03   -2.91116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85551e+03    9.25858e+04    4.00038e+05   -2.33789e+04   -2.97597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66396e+04   -2.44645e+06    4.79878e+05   -1.96657e+06    2.48440e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11114e+02   -2.07157e+02   -2.26097e+01    5.71459e-06


DD  step 233454999 load imb.: force 15.9%  pme mesh/force 0.742
           Step           Time
      233455000   466910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02099e+03    1.93713e+04    1.29325e+04    1.15225e+03   -3.13345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90051e+03    9.28861e+04    4.00230e+05   -2.33627e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63917e+04   -2.44666e+06    4.80111e+05   -1.96655e+06    2.48445e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11264e+02   -2.06871e+02    7.29691e-01    5.81485e-06


DD  step 233459999 load imb.: force 14.9%  pme mesh/force 0.728
           Step           Time
      233460000   466920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28085e+03    1.91275e+04    1.31420e+04    1.18612e+03   -3.16959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86051e+03    9.29734e+04    4.02930e+05   -2.33891e+04   -2.98403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62771e+04   -2.45181e+06    4.80814e+05   -1.97099e+06    2.48451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11720e+02   -2.07338e+02    3.00392e+01    5.80710e-06


DD  step 233464999 load imb.: force 19.2%  pme mesh/force 0.766
           Step           Time
      233465000   466930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97909e+03    1.93326e+04    1.28439e+04    1.11186e+03   -3.06336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92478e+03    9.29593e+04    4.00278e+05   -2.34186e+04   -2.98119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65367e+04   -2.45170e+06    4.78757e+05   -1.97295e+06    2.48456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10387e+02   -2.07860e+02   -2.86121e+01    5.87894e-06


DD  step 233469999 load imb.: force 17.8%  pme mesh/force 0.743
           Step           Time
      233470000   466940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77119e+03    1.93900e+04    1.30475e+04    1.24654e+03   -3.13055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84485e+03    9.34795e+04    4.00884e+05   -2.33586e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65027e+04   -2.44714e+06    4.78197e+05   -1.96894e+06    2.48462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10024e+02   -2.06798e+02    1.23909e+01    5.93111e-06


DD  step 233474999 load imb.: force 16.2%  pme mesh/force 0.749
           Step           Time
      233475000   466950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14528e+03    1.91498e+04    1.31820e+04    1.14236e+03   -3.14175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73653e+03    9.27958e+04    4.00202e+05   -2.33824e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65736e+04   -2.44675e+06    4.79778e+05   -1.96697e+06    2.48467e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11049e+02   -2.07220e+02   -2.56298e+01    5.80222e-06


DD  step 233479999 load imb.: force 16.5%  pme mesh/force 0.744
           Step           Time
      233480000   466960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65064e+03    1.93124e+04    1.30724e+04    1.22306e+03   -3.12840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86925e+03    9.24566e+04    3.98870e+05   -2.33677e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64221e+04   -2.44967e+06    4.79025e+05   -1.97065e+06    2.48473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10560e+02   -2.06958e+02   -7.59660e+01    5.67151e-06

Writing checkpoint, step 233484850 at Wed Nov  8 05:31:28 2023



DD  step 233484999 load imb.: force 17.6%  pme mesh/force 0.754
           Step           Time
      233485000   466970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12160e+03    1.94942e+04    1.29344e+04    1.11840e+03   -3.12084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76128e+03    9.25200e+04    4.01432e+05   -2.33438e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64619e+04   -2.44862e+06    4.81699e+05   -1.96692e+06    2.48479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12294e+02   -2.06536e+02   -6.47194e+01    5.65777e-06


DD  step 233489999 load imb.: force 15.4%  pme mesh/force 0.737
           Step           Time
      233490000   466980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03931e+03    1.94953e+04    1.31791e+04    1.21607e+03   -3.09986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74277e+03    9.26164e+04    4.00107e+05   -2.33964e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65926e+04   -2.44728e+06    4.81018e+05   -1.96626e+06    2.48485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11853e+02   -2.07467e+02   -2.62731e+01    5.72802e-06


DD  step 233494999 load imb.: force 18.0%  pme mesh/force 0.724
           Step           Time
      233495000   466990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13983e+03    1.95034e+04    1.29926e+04    1.11179e+03   -3.10656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72759e+03    9.31443e+04    3.99645e+05   -2.33886e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64609e+04   -2.44850e+06    4.81045e+05   -1.96745e+06    2.48490e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11870e+02   -2.07329e+02   -1.08094e+02    5.64010e-06


DD  step 233499999 load imb.: force 16.4%  pme mesh/force 0.723
           Step           Time
      233500000   467000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14447e+03    1.94639e+04    1.29897e+04    1.17621e+03   -3.17396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90608e+03    9.29403e+04    4.00933e+05   -2.33693e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65397e+04   -2.44541e+06    4.80620e+05   -1.96479e+06    2.48496e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11594e+02   -2.06987e+02    3.74756e+01    5.85743e-06


DD  step 233504999 load imb.: force 16.6%  pme mesh/force 0.747
           Step           Time
      233505000   467010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96358e+03    1.95299e+04    1.30005e+04    1.25704e+03   -2.90460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68694e+03    9.31237e+04    3.99338e+05   -2.33500e+04   -2.97315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64153e+04   -2.44409e+06    4.79190e+05   -1.96490e+06    2.48502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.06646e+02   -1.97156e+01    5.74333e-06


DD  step 233509999 load imb.: force 17.1%  pme mesh/force 0.718
           Step           Time
      233510000   467020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86037e+03    1.94452e+04    1.30061e+04    1.17004e+03   -3.10750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82922e+03    9.30441e+04    4.03809e+05   -2.33791e+04   -2.98269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64927e+04   -2.44952e+06    4.80035e+05   -1.96948e+06    2.48508e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.07160e+02    1.06955e+02    5.57547e-06


DD  step 233514999 load imb.: force 17.1%  pme mesh/force 0.753
           Step           Time
      233515000   467030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90859e+03    1.95464e+04    1.29048e+04    1.21715e+03   -3.10684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77919e+03    9.31243e+04    4.02620e+05   -2.33873e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66345e+04   -2.44719e+06    4.78613e+05   -1.96858e+06    2.48513e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10293e+02   -2.07307e+02    5.83457e+01    5.64456e-06


DD  step 233519999 load imb.: force 18.6%  pme mesh/force 0.783
           Step           Time
      233520000   467040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88638e+03    1.92080e+04    1.30980e+04    1.26526e+03   -3.09011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76631e+03    9.29148e+04    4.01979e+05   -2.33767e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65314e+04   -2.44693e+06    4.80367e+05   -1.96656e+06    2.48519e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11430e+02   -2.07118e+02    4.87098e+01    5.71590e-06


DD  step 233524999 load imb.: force 16.5%  pme mesh/force 0.736
           Step           Time
      233525000   467050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91584e+03    1.98233e+04    1.29066e+04    1.11657e+03   -3.18588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73217e+03    9.28725e+04    4.00550e+05   -2.34025e+04   -2.97915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64533e+04   -2.44937e+06    4.79544e+05   -1.96982e+06    2.48525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.07575e+02   -1.10940e+01    5.69576e-06


DD  step 233529999 load imb.: force 16.0%  pme mesh/force 0.728
           Step           Time
      233530000   467060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09900e+03    1.92627e+04    1.32872e+04    1.27191e+03   -3.03097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82127e+03    9.36281e+04    3.99703e+05   -2.33938e+04   -2.97432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64384e+04   -2.44423e+06    4.81076e+05   -1.96316e+06    2.48531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.07422e+02   -4.51566e+01    5.85108e-06


DD  step 233534999 load imb.: force 16.8%  pme mesh/force 0.723
           Step           Time
      233535000   467070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92307e+03    1.94829e+04    1.29255e+04    1.21092e+03   -3.07525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78176e+03    9.32155e+04    3.97552e+05   -2.33664e+04   -2.97459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65557e+04   -2.44738e+06    4.81133e+05   -1.96625e+06    2.48536e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11927e+02   -2.06936e+02   -5.36407e+01    5.80794e-06


DD  step 233539999 load imb.: force 18.1%  pme mesh/force 0.742
           Step           Time
      233540000   467080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16718e+03    1.94314e+04    1.29141e+04    1.12878e+03   -3.05213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78889e+03    9.27273e+04    4.00649e+05   -2.33517e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64990e+04   -2.44429e+06    4.77687e+05   -1.96660e+06    2.48542e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.06677e+02   -1.61082e+01    5.88329e-06


DD  step 233544999 load imb.: force 15.0%  pme mesh/force 0.716
           Step           Time
      233545000   467090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98310e+03    1.95939e+04    1.30587e+04    1.17549e+03   -2.96583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83515e+03    9.26532e+04    3.98734e+05   -2.33593e+04   -2.97512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63363e+04   -2.44707e+06    4.79765e+05   -1.96731e+06    2.48548e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11040e+02   -2.06810e+02   -4.33983e+01    5.79513e-06


DD  step 233549999 load imb.: force 17.4%  pme mesh/force 0.740
           Step           Time
      233550000   467100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10547e+03    1.94159e+04    1.30841e+04    1.12316e+03   -2.95934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80160e+03    9.29897e+04    3.96373e+05   -2.33718e+04   -2.97219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65666e+04   -2.44606e+06    4.81338e+05   -1.96472e+06    2.48554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12060e+02   -2.07032e+02   -1.51236e+02    5.81051e-06


DD  step 233554999 load imb.: force 16.3%  pme mesh/force 0.717
           Step           Time
      233555000   467110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07711e+03    1.97488e+04    1.30148e+04    1.21247e+03   -3.12635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76295e+03    9.33212e+04    4.00577e+05   -2.33556e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66702e+04   -2.44396e+06    4.81544e+05   -1.96242e+06    2.48560e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12193e+02   -2.06745e+02    3.63063e+01    5.67790e-06


DD  step 233559999 load imb.: force 16.3%  pme mesh/force 0.722
           Step           Time
      233560000   467120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04268e+03    1.93474e+04    1.32146e+04    1.20461e+03   -3.17429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72199e+03    9.30959e+04    4.02470e+05   -2.33870e+04   -2.98006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66135e+04   -2.44791e+06    4.80289e+05   -1.96762e+06    2.48565e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.07301e+02    5.94861e+01    5.77121e-06


DD  step 233564999 load imb.: force 16.0%  pme mesh/force 0.735
           Step           Time
      233565000   467130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26518e+03    1.97252e+04    1.31425e+04    1.19851e+03   -3.09872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73190e+03    9.32068e+04    3.98090e+05   -2.33784e+04   -2.97284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63993e+04   -2.44455e+06    4.82243e+05   -1.96231e+06    2.48571e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12646e+02   -2.07149e+02   -3.60038e+01    5.73561e-06


DD  step 233569999 load imb.: force 16.3%  pme mesh/force 0.706
           Step           Time
      233570000   467140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00688e+03    1.90885e+04    1.31057e+04    1.13880e+03   -3.05973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90651e+03    9.31816e+04    4.01835e+05   -2.33799e+04   -2.97892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63713e+04   -2.44773e+06    4.79652e+05   -1.96807e+06    2.48577e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10967e+02   -2.07176e+02    2.12609e+01    5.57084e-06


DD  step 233574999 load imb.: force 17.3%  pme mesh/force 0.725
           Step           Time
      233575000   467150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86316e+03    1.92799e+04    1.31374e+04    1.19780e+03   -3.07079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97667e+03    9.33391e+04    4.02010e+05   -2.34061e+04   -2.98185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64108e+04   -2.45011e+06    4.79700e+05   -1.97041e+06    2.48583e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10998e+02   -2.07639e+02    7.64638e+01    5.53522e-06


DD  step 233579999 load imb.: force 18.6%  pme mesh/force 0.772
           Step           Time
      233580000   467160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93027e+03    1.94108e+04    1.30820e+04    1.26290e+03   -3.11378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80092e+03    9.29444e+04    4.02270e+05   -2.34173e+04   -2.98076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64857e+04   -2.44910e+06    4.80442e+05   -1.96866e+06    2.48588e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11479e+02   -2.07838e+02    3.09369e+01    5.81935e-06


DD  step 233584999 load imb.: force 19.1%  pme mesh/force 0.725
           Step           Time
      233585000   467170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98807e+03    1.91310e+04    1.29364e+04    1.27590e+03   -2.94842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78428e+03    9.33186e+04    3.96920e+05   -2.33360e+04   -2.97223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66513e+04   -2.44551e+06    4.80812e+05   -1.96469e+06    2.48594e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11719e+02   -2.06399e+02   -9.05508e+01    5.72744e-06


DD  step 233589999 load imb.: force 18.0%  pme mesh/force 0.746
           Step           Time
      233590000   467180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87318e+03    1.92102e+04    1.30408e+04    1.19131e+03   -3.01285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96816e+03    9.35381e+04    4.01573e+05   -2.34128e+04   -2.98069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62445e+04   -2.44947e+06    4.78426e+05   -1.97105e+06    2.48600e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10172e+02   -2.07759e+02    6.32911e+01    5.37914e-06


DD  step 233594999 load imb.: force 18.6%  pme mesh/force 0.761
           Step           Time
      233595000   467190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82631e+03    1.91221e+04    1.27794e+04    1.14854e+03   -3.04892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87860e+03    9.32852e+04    4.02812e+05   -2.33853e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67508e+04   -2.44776e+06    4.80782e+05   -1.96697e+06    2.48606e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11699e+02   -2.07270e+02    7.98696e+01    5.86407e-06


DD  step 233599999 load imb.: force 17.0%  pme mesh/force 0.743
           Step           Time
      233600000   467200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01512e+03    1.93229e+04    1.31329e+04    1.18207e+03   -3.06696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83371e+03    9.34148e+04    3.99342e+05   -2.33584e+04   -2.97461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64395e+04   -2.44535e+06    4.81811e+05   -1.96354e+06    2.48611e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12367e+02   -2.06795e+02   -5.38966e+00    5.79004e-06


DD  step 233604999 load imb.: force 15.7%  pme mesh/force 0.734
           Step           Time
      233605000   467210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04947e+03    1.92845e+04    1.30403e+04    1.15332e+03   -3.00344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81362e+03    9.35339e+04    3.96418e+05   -2.33803e+04   -2.97351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65209e+04   -2.44708e+06    4.80489e+05   -1.96659e+06    2.48617e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11510e+02   -2.07181e+02   -1.15574e+02    5.59085e-06


DD  step 233609999 load imb.: force 16.1%  pme mesh/force 0.727
           Step           Time
      233610000   467220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83896e+03    1.93912e+04    1.30967e+04    1.13102e+03   -3.15614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85375e+03    9.33609e+04    4.01890e+05   -2.33533e+04   -2.98042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65292e+04   -2.44884e+06    4.80003e+05   -1.96883e+06    2.48622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11194e+02   -2.06705e+02    1.76636e+01    5.64005e-06


DD  step 233614999 load imb.: force 17.9%  pme mesh/force 0.724
           Step           Time
      233615000   467230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14030e+03    1.95967e+04    1.30753e+04    1.14157e+03   -3.15098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86597e+03    9.30899e+04    4.02488e+05   -2.33768e+04   -2.97897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64185e+04   -2.44668e+06    4.80750e+05   -1.96593e+06    2.48629e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11679e+02   -2.07120e+02    5.90858e+01    5.58467e-06


DD  step 233619999 load imb.: force 16.5%  pme mesh/force 0.757
           Step           Time
      233620000   467240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02291e+03    1.89734e+04    1.31681e+04    1.22528e+03   -3.08406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.03411e+03    9.37133e+04    4.01655e+05   -2.33675e+04   -2.98269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65206e+04   -2.45083e+06    4.80676e+05   -1.97015e+06    2.48634e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11631e+02   -2.06956e+02    1.54044e+01    5.54022e-06


DD  step 233624999 load imb.: force 16.7%  pme mesh/force 0.763
           Step           Time
      233625000   467250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15258e+03    1.93691e+04    1.32776e+04    1.19549e+03   -3.00854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71961e+03    9.30588e+04    4.00088e+05   -2.33598e+04   -2.97840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64460e+04   -2.44846e+06    4.79006e+05   -1.96946e+06    2.48640e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10548e+02   -2.06820e+02   -2.34778e+01    5.72211e-06


DD  step 233629999 load imb.: force 18.0%  pme mesh/force 0.742
           Step           Time
      233630000   467260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93862e+03    1.89127e+04    1.31344e+04    1.17502e+03   -3.10649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89305e+03    9.30139e+04    3.99222e+05   -2.34070e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66812e+04   -2.44676e+06    4.78222e+05   -1.96854e+06    2.48645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10040e+02   -2.07654e+02    1.09371e+01    5.76816e-06


DD  step 233634999 load imb.: force 15.9%  pme mesh/force 0.745
           Step           Time
      233635000   467270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96619e+03    1.93700e+04    1.31100e+04    1.22247e+03   -3.07032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95575e+03    9.30342e+04    3.99495e+05   -2.33820e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63094e+04   -2.44760e+06    4.81929e+05   -1.96567e+06    2.48651e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12443e+02   -2.07212e+02   -4.16081e+00    5.56092e-06


DD  step 233639999 load imb.: force 15.2%  pme mesh/force 0.753
           Step           Time
      233640000   467280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89063e+03    1.91095e+04    1.30124e+04    1.25007e+03   -3.04666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94063e+03    9.37357e+04    4.02616e+05   -2.34180e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65301e+04   -2.44736e+06    4.79729e+05   -1.96764e+06    2.48657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11017e+02   -2.07850e+02    1.05775e+02    5.75715e-06


DD  step 233644999 load imb.: force 16.9%  pme mesh/force 0.741
           Step           Time
      233645000   467290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79179e+03    1.95335e+04    1.31483e+04    1.16879e+03   -3.04607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80417e+03    9.30050e+04    4.01176e+05   -2.33737e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66720e+04   -2.44678e+06    4.80014e+05   -1.96677e+06    2.48662e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11201e+02   -2.07065e+02    4.23754e+01    5.87798e-06


DD  step 233649999 load imb.: force 15.8%  pme mesh/force 0.745
           Step           Time
      233650000   467300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83055e+03    1.92272e+04    1.29822e+04    1.12423e+03   -3.01660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96487e+03    9.36585e+04    3.99001e+05   -2.33667e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68087e+04   -2.44522e+06    4.78224e+05   -1.96700e+06    2.48668e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10041e+02   -2.06942e+02   -2.77156e+01    5.55809e-06


DD  step 233654999 load imb.: force 16.1%  pme mesh/force 0.746
           Step           Time
      233655000   467310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02284e+03    1.95037e+04    1.31241e+04    1.13522e+03   -2.99915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85666e+03    9.32016e+04    3.99005e+05   -2.33858e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65552e+04   -2.44647e+06    4.80022e+05   -1.96645e+06    2.48674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.07280e+02   -1.75009e+01    5.72604e-06


DD  step 233659999 load imb.: force 15.4%  pme mesh/force 0.733
           Step           Time
      233660000   467320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14346e+03    1.88656e+04    1.30650e+04    1.20265e+03   -3.09153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81648e+03    9.31975e+04    3.98345e+05   -2.34191e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67098e+04   -2.44742e+06    4.80889e+05   -1.96654e+06    2.48679e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11769e+02   -2.07870e+02   -1.43522e+01    5.74506e-06


DD  step 233664999 load imb.: force 17.3%  pme mesh/force 0.774
           Step           Time
      233665000   467330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02546e+03    1.95031e+04    1.29943e+04    1.23182e+03   -3.02810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73897e+03    9.32383e+04    4.01123e+05   -2.33883e+04   -2.97927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65143e+04   -2.44832e+06    4.79048e+05   -1.96927e+06    2.48685e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.07323e+02    4.17277e+01    5.63908e-06


DD  step 233669999 load imb.: force 15.4%  pme mesh/force 0.755
           Step           Time
      233670000   467340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12553e+03    1.96045e+04    1.30853e+04    1.16331e+03   -3.21425e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83404e+03    9.33055e+04    3.99789e+05   -2.33940e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65733e+04   -2.44862e+06    4.79596e+05   -1.96902e+06    2.48691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10931e+02   -2.07424e+02   -4.67038e+01    5.60950e-06


DD  step 233674999 load imb.: force 16.3%  pme mesh/force 0.750
           Step           Time
      233675000   467350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07080e+03    1.94749e+04    1.32413e+04    1.22638e+03   -3.12504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81914e+03    9.34693e+04    4.00259e+05   -2.33824e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64102e+04   -2.44835e+06    4.77765e+05   -1.97059e+06    2.48697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09743e+02   -2.07219e+02   -4.50784e+01    5.61983e-06


DD  step 233679999 load imb.: force 15.7%  pme mesh/force 0.733
           Step           Time
      233680000   467360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96222e+03    1.92056e+04    1.31465e+04    1.29940e+03   -3.08185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99892e+03    9.31793e+04    4.01756e+05   -2.34393e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64168e+04   -2.44853e+06    4.79589e+05   -1.96895e+06    2.48702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10926e+02   -2.08228e+02    5.30710e+01    5.74642e-06


DD  step 233684999 load imb.: force 17.1%  pme mesh/force 0.750
           Step           Time
      233685000   467370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99119e+03    1.96204e+04    1.32981e+04    1.18706e+03   -3.00856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91093e+03    9.26558e+04    4.00178e+05   -2.33857e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66406e+04   -2.44500e+06    4.81529e+05   -1.96347e+06    2.48707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12184e+02   -2.07278e+02    1.01767e+02    5.80016e-06


DD  step 233689999 load imb.: force 16.1%  pme mesh/force 0.737
           Step           Time
      233690000   467380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90941e+03    1.95425e+04    1.31353e+04    1.20041e+03   -3.09277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83664e+03    9.34462e+04    3.98470e+05   -2.33351e+04   -2.97428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64181e+04   -2.44575e+06    4.81464e+05   -1.96429e+06    2.48713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12142e+02   -2.06383e+02   -6.65291e+01    5.91289e-06


DD  step 233694999 load imb.: force 15.6%  pme mesh/force 0.716
           Step           Time
      233695000   467390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01048e+03    1.95045e+04    1.30182e+04    1.22755e+03   -3.09872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82176e+03    9.32375e+04    4.02709e+05   -2.34550e+04   -2.98237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64728e+04   -2.44992e+06    4.80075e+05   -1.96984e+06    2.48719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11241e+02   -2.08506e+02    7.63802e+01    5.70104e-06


DD  step 233699999 load imb.: force 17.5%  pme mesh/force 0.755
           Step           Time
      233700000   467400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75721e+03    1.98220e+04    1.31688e+04    1.15236e+03   -3.15812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84486e+03    9.34408e+04    3.99242e+05   -2.33768e+04   -2.97460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65777e+04   -2.44512e+06    4.80418e+05   -1.96471e+06    2.48724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11464e+02   -2.07120e+02    3.55579e+00    5.86911e-06


DD  step 233704999 load imb.: force 14.9%  pme mesh/force 0.721
           Step           Time
      233705000   467410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12288e+03    1.91668e+04    1.30979e+04    1.12389e+03   -3.08339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73897e+03    9.31656e+04    4.02128e+05   -2.33820e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64422e+04   -2.44750e+06    4.79601e+05   -1.96789e+06    2.48730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.07212e+02    3.47326e+01    5.87026e-06


DD  step 233709999 load imb.: force 15.2%  pme mesh/force 0.744
           Step           Time
      233710000   467420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86258e+03    1.92783e+04    1.29622e+04    1.11855e+03   -3.04684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84761e+03    9.29421e+04    3.98822e+05   -2.33811e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65203e+04   -2.44788e+06    4.78847e+05   -1.96903e+06    2.48736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10445e+02   -2.07196e+02   -5.77050e+01    5.69016e-06


DD  step 233714999 load imb.: force 16.5%  pme mesh/force 0.739
           Step           Time
      233715000   467430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97595e+03    1.93220e+04    1.30579e+04    1.20796e+03   -2.89165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81510e+03    9.28863e+04    3.99275e+05   -2.34140e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66214e+04   -2.44825e+06    4.79106e+05   -1.96914e+06    2.48741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10613e+02   -2.07780e+02   -4.87364e+01    5.88885e-06


DD  step 233719999 load imb.: force 17.7%  pme mesh/force 0.773
           Step           Time
      233720000   467440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07391e+03    1.95153e+04    1.32666e+04    1.11881e+03   -3.14015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80564e+03    9.28892e+04    3.98172e+05   -2.33995e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63157e+04   -2.44916e+06    4.79734e+05   -1.96942e+06    2.48747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.07522e+02   -1.00498e+02    5.83725e-06


DD  step 233724999 load imb.: force 14.8%  pme mesh/force 0.746
           Step           Time
      233725000   467450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78219e+03    1.92227e+04    1.30056e+04    1.20166e+03   -3.11565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85018e+03    9.31790e+04    4.04158e+05   -2.33504e+04   -2.98124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64965e+04   -2.44781e+06    4.78398e+05   -1.96941e+06    2.48754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10154e+02   -2.06654e+02    6.63987e+01    5.60278e-06


DD  step 233729999 load imb.: force 15.3%  pme mesh/force 0.736
           Step           Time
      233730000   467460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92574e+03    1.98034e+04    1.32309e+04    1.18246e+03   -3.10085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73649e+03    9.26697e+04    3.99428e+05   -2.34125e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66982e+04   -2.44933e+06    4.80918e+05   -1.96841e+06    2.48759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11788e+02   -2.07753e+02   -3.75576e+01    5.76045e-06


DD  step 233734999 load imb.: force 18.9%  pme mesh/force 0.731
           Step           Time
      233735000   467470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04263e+03    1.93889e+04    1.30678e+04    1.16403e+03   -3.07685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92275e+03    9.31895e+04    4.02245e+05   -2.32964e+04   -2.97508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64613e+04   -2.44297e+06    4.80817e+05   -1.96215e+06    2.48765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.05699e+02    6.03755e+01    5.61411e-06


DD  step 233739999 load imb.: force 15.7%  pme mesh/force 0.737
           Step           Time
      233740000   467480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17594e+03    1.94749e+04    1.32124e+04    1.19896e+03   -3.06371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83378e+03    9.25973e+04    3.98870e+05   -2.34354e+04   -2.97528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64397e+04   -2.44698e+06    4.78901e+05   -1.96808e+06    2.48771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.08159e+02    3.27439e+01    5.71043e-06


DD  step 233744999 load imb.: force 16.4%  pme mesh/force 0.741
           Step           Time
      233745000   467490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02419e+03    1.92658e+04    1.30018e+04    1.25303e+03   -3.10635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67213e+03    9.29716e+04    4.03534e+05   -2.33389e+04   -2.98085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64441e+04   -2.44813e+06    4.77816e+05   -1.97032e+06    2.48776e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09776e+02   -2.06451e+02    3.26833e+01    5.69291e-06


DD  step 233749999 load imb.: force 17.5%  pme mesh/force 0.789
           Step           Time
      233750000   467500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76004e+03    1.97634e+04    1.31481e+04    1.19137e+03   -3.01951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91674e+03    9.26600e+04    4.00161e+05   -2.33927e+04   -2.97447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65118e+04   -2.44477e+06    4.79762e+05   -1.96501e+06    2.48782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11038e+02   -2.07402e+02    5.82148e+01    5.79637e-06


DD  step 233754999 load imb.: force 14.9%  pme mesh/force 0.747
           Step           Time
      233755000   467510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02569e+03    1.93566e+04    1.31752e+04    1.16191e+03   -3.06145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83874e+03    9.27101e+04    3.99913e+05   -2.33685e+04   -2.97268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64799e+04   -2.44345e+06    4.78235e+05   -1.96522e+06    2.48788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10048e+02   -2.06973e+02    5.40375e+00    5.74092e-06


DD  step 233759999 load imb.: force 17.5%  pme mesh/force 0.777
           Step           Time
      233760000   467520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02005e+03    1.94491e+04    1.31455e+04    1.09500e+03   -3.01348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83833e+03    9.28188e+04    3.98852e+05   -2.33657e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64768e+04   -2.44741e+06    4.79762e+05   -1.96765e+06    2.48793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.06923e+02   -4.43371e+01    5.71700e-06


DD  step 233764999 load imb.: force 15.8%  pme mesh/force 0.757
           Step           Time
      233765000   467530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93719e+03    1.94130e+04    1.31354e+04    1.19734e+03   -3.09539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89185e+03    9.32053e+04    4.02882e+05   -2.34236e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66621e+04   -2.44705e+06    4.78403e+05   -1.96865e+06    2.48799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10157e+02   -2.07950e+02    1.12834e+02    5.77942e-06


DD  step 233769999 load imb.: force 18.2%  pme mesh/force 0.743
           Step           Time
      233770000   467540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00990e+03    1.93721e+04    1.28468e+04    1.24111e+03   -2.95881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80217e+03    9.30285e+04    3.97687e+05   -2.33299e+04   -2.97105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65208e+04   -2.44383e+06    4.81583e+05   -1.96225e+06    2.48804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12219e+02   -2.06292e+02   -7.60996e+01    5.82550e-06


DD  step 233774999 load imb.: force 15.9%  pme mesh/force 0.734
           Step           Time
      233775000   467550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05941e+03    1.91586e+04    1.32357e+04    1.22982e+03   -3.04204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83067e+03    9.28155e+04    3.99375e+05   -2.33835e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66088e+04   -2.44665e+06    4.80931e+05   -1.96572e+06    2.48810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11796e+02   -2.07238e+02    6.72707e+00    5.77823e-06


DD  step 233779999 load imb.: force 18.0%  pme mesh/force 0.737
           Step           Time
      233780000   467560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00669e+03    1.94983e+04    1.29368e+04    1.17611e+03   -3.10889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79766e+03    9.30876e+04    3.99278e+05   -2.33791e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64874e+04   -2.44731e+06    4.80472e+05   -1.96684e+06    2.48816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11498e+02   -2.07161e+02   -5.10382e+01    5.80865e-06


DD  step 233784999 load imb.: force 17.3%  pme mesh/force 0.764
           Step           Time
      233785000   467570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14304e+03    1.95445e+04    1.31334e+04    1.20297e+03   -3.06343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85171e+03    9.37276e+04    4.04598e+05   -2.34265e+04   -2.98202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66943e+04   -2.44661e+06    4.80339e+05   -1.96627e+06    2.48822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.08000e+02    1.25336e+02    5.79046e-06


DD  step 233789999 load imb.: force 16.1%  pme mesh/force 0.757
           Step           Time
      233790000   467580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97074e+03    1.94666e+04    1.31039e+04    1.25419e+03   -3.10201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83133e+03    9.31165e+04    3.99700e+05   -2.34137e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62122e+04   -2.44712e+06    4.81819e+05   -1.96530e+06    2.48827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12372e+02   -2.07774e+02    3.59601e+00    5.69118e-06


DD  step 233794999 load imb.: force 16.0%  pme mesh/force 0.723
           Step           Time
      233795000   467590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90199e+03    1.94380e+04    1.28921e+04    1.15377e+03   -3.02244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83259e+03    9.26410e+04    4.03763e+05   -2.34355e+04   -2.98173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63969e+04   -2.44917e+06    4.78881e+05   -1.97029e+06    2.48833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.08160e+02    1.23022e+02    5.79352e-06


DD  step 233799999 load imb.: force 16.6%  pme mesh/force 0.718
           Step           Time
      233800000   467600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33658e+03    1.93234e+04    1.29269e+04    1.20202e+03   -3.04358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61621e+03    9.28697e+04    4.02370e+05   -2.33216e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65446e+04   -2.44674e+06    4.79104e+05   -1.96763e+06    2.48839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.06145e+02   -2.05634e+01    5.94272e-06


DD  step 233804999 load imb.: force 18.9%  pme mesh/force 0.751
           Step           Time
      233805000   467610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05780e+03    1.93782e+04    1.30403e+04    1.16717e+03   -3.01977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87359e+03    9.30033e+04    4.00191e+05   -2.33711e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65568e+04   -2.44543e+06    4.80689e+05   -1.96474e+06    2.48845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.07019e+02    2.08828e+01    5.73663e-06


DD  step 233809999 load imb.: force 17.3%  pme mesh/force 0.713
           Step           Time
      233810000   467620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10721e+03    1.94932e+04    1.32924e+04    1.20886e+03   -3.02711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78820e+03    9.32696e+04    4.00901e+05   -2.34025e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65663e+04   -2.44532e+06    4.79786e+05   -1.96554e+06    2.48850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11054e+02   -2.07575e+02    4.91041e+01    5.70014e-06


DD  step 233814999 load imb.: force 16.9%  pme mesh/force 0.768
           Step           Time
      233815000   467630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85410e+03    1.99013e+04    1.29969e+04    1.27431e+03   -3.04011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93036e+03    9.31170e+04    4.04377e+05   -2.33920e+04   -2.98043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65927e+04   -2.44581e+06    4.81637e+05   -1.96418e+06    2.48856e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12254e+02   -2.07389e+02    1.83649e+02    5.74562e-06

Writing checkpoint, step 233815650 at Wed Nov  8 05:46:28 2023



DD  step 233819999 load imb.: force 15.9%  pme mesh/force 0.737
           Step           Time
      233820000   467640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08691e+03    1.89209e+04    1.32109e+04    1.28058e+03   -3.01521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81768e+03    9.30205e+04    4.02247e+05   -2.33695e+04   -2.98135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64057e+04   -2.44974e+06    4.79458e+05   -1.97028e+06    2.48862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10841e+02   -2.06992e+02   -2.09832e+01    5.80440e-06


DD  step 233824999 load imb.: force 19.3%  pme mesh/force 0.757
           Step           Time
      233825000   467650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93874e+03    1.92669e+04    1.31572e+04    1.17668e+03   -3.03431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76174e+03    9.28832e+04    4.00906e+05   -2.33191e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64094e+04   -2.44803e+06    4.79028e+05   -1.96900e+06    2.48868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10563e+02   -2.06100e+02   -6.53909e+01    5.70195e-06


DD  step 233829999 load imb.: force 15.1%  pme mesh/force 0.738
           Step           Time
      233830000   467660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98312e+03    1.93342e+04    1.30181e+04    1.10921e+03   -3.07127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78838e+03    9.32933e+04    3.98135e+05   -2.33710e+04   -2.97598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64268e+04   -2.44833e+06    4.80303e+05   -1.96803e+06    2.48873e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.07018e+02   -7.62631e+01    5.78070e-06


DD  step 233834999 load imb.: force 15.6%  pme mesh/force 0.723
           Step           Time
      233835000   467670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93475e+03    1.96371e+04    1.32117e+04    1.16525e+03   -3.01866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90760e+03    9.32322e+04    3.98749e+05   -2.33886e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66802e+04   -2.44739e+06    4.79892e+05   -1.96750e+06    2.48880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11123e+02   -2.07329e+02   -5.46858e+01    5.65720e-06


DD  step 233839999 load imb.: force 15.0%  pme mesh/force 0.755
           Step           Time
      233840000   467680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10500e+03    1.97284e+04    1.31351e+04    1.09781e+03   -3.04798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83611e+03    9.28670e+04    4.02509e+05   -2.33817e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65683e+04   -2.44537e+06    4.80228e+05   -1.96514e+06    2.48885e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11340e+02   -2.07207e+02    6.95415e+01    5.69062e-06


DD  step 233844999 load imb.: force 18.6%  pme mesh/force 0.751
           Step           Time
      233845000   467690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10518e+03    1.94816e+04    1.30103e+04    1.10724e+03   -3.15999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92835e+03    9.30264e+04    4.02650e+05   -2.33787e+04   -2.98106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63574e+04   -2.44893e+06    4.80120e+05   -1.96881e+06    2.48891e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.07154e+02    4.72484e+01    5.77602e-06


DD  step 233849999 load imb.: force 16.3%  pme mesh/force 0.734
           Step           Time
      233850000   467700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88444e+03    1.97015e+04    1.29364e+04    1.19286e+03   -3.02189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84687e+03    9.32257e+04    3.99634e+05   -2.33654e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64346e+04   -2.44567e+06    4.80743e+05   -1.96493e+06    2.48897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11674e+02   -2.06918e+02    3.46848e+00    5.66144e-06


DD  step 233854999 load imb.: force 15.0%  pme mesh/force 0.725
           Step           Time
      233855000   467710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00686e+03    1.95152e+04    1.30715e+04    1.21721e+03   -3.05470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83279e+03    9.34878e+04    4.03372e+05   -2.33834e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66606e+04   -2.44386e+06    4.78122e+05   -1.96573e+06    2.48902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09975e+02   -2.07237e+02    1.21592e+02    5.65385e-06


DD  step 233859999 load imb.: force 16.6%  pme mesh/force 0.755
           Step           Time
      233860000   467720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11816e+03    1.98619e+04    1.29943e+04    1.18697e+03   -3.01034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84041e+03    9.34541e+04    4.00135e+05   -2.34106e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62931e+04   -2.44681e+06    4.77566e+05   -1.96925e+06    2.48909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09615e+02   -2.07718e+02   -5.11172e+00    5.81251e-06


DD  step 233864999 load imb.: force 17.0%  pme mesh/force 0.759
           Step           Time
      233865000   467730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03346e+03    1.95200e+04    1.31505e+04    1.16594e+03   -3.03852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97147e+03    9.30249e+04    3.97796e+05   -2.33161e+04   -2.97180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65638e+04   -2.44393e+06    4.77472e+05   -1.96646e+06    2.48914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09553e+02   -2.06047e+02   -9.55262e+01    5.64093e-06


DD  step 233869999 load imb.: force 17.5%  pme mesh/force 0.781
           Step           Time
      233870000   467740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88006e+03    1.90155e+04    1.30847e+04    1.21254e+03   -3.02342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88062e+03    9.32442e+04    4.01363e+05   -2.33838e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65368e+04   -2.44886e+06    4.79273e+05   -1.96959e+06    2.48920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10721e+02   -2.07244e+02   -2.23943e+01    5.75330e-06


DD  step 233874999 load imb.: force 16.2%  pme mesh/force 0.715
           Step           Time
      233875000   467750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01606e+03    1.92266e+04    1.28665e+04    1.22144e+03   -3.03008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79075e+03    9.28438e+04    3.98092e+05   -2.33472e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64181e+04   -2.44709e+06    4.77144e+05   -1.96995e+06    2.48926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09341e+02   -2.06597e+02   -9.69331e+01    5.81078e-06


DD  step 233879999 load imb.: force 15.8%  pme mesh/force 0.757
           Step           Time
      233880000   467760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11507e+03    1.96387e+04    1.31705e+04    1.24362e+03   -3.02511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86697e+03    9.33127e+04    4.00476e+05   -2.33438e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62942e+04   -2.44460e+06    4.81027e+05   -1.96357e+06    2.48932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11858e+02   -2.06536e+02   -3.95239e+00    5.72885e-06


DD  step 233884999 load imb.: force 16.2%  pme mesh/force 0.771
           Step           Time
      233885000   467770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11562e+03    1.95476e+04    1.29304e+04    1.12199e+03   -2.97951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87610e+03    9.35495e+04    3.98824e+05   -2.33922e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64181e+04   -2.44572e+06    4.79681e+05   -1.96604e+06    2.48937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10986e+02   -2.07393e+02   -2.28525e+01    5.91055e-06


DD  step 233889999 load imb.: force 16.7%  pme mesh/force 0.775
           Step           Time
      233890000   467780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94880e+03    1.98613e+04    1.32253e+04    1.13634e+03   -3.09867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79072e+03    9.29367e+04    3.99203e+05   -2.33912e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65936e+04   -2.44720e+06    4.80218e+05   -1.96698e+06    2.48943e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11334e+02   -2.07376e+02   -5.47883e+01    5.70728e-06


DD  step 233894999 load imb.: force 18.4%  pme mesh/force 0.790
           Step           Time
      233895000   467790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15396e+03    1.94872e+04    1.28384e+04    1.22775e+03   -2.97226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90094e+03    9.30760e+04    4.04144e+05   -2.33643e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64181e+04   -2.44515e+06    4.81052e+05   -1.96410e+06    2.48948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11875e+02   -2.06899e+02    1.03024e+02    5.84190e-06


DD  step 233899999 load imb.: force 17.7%  pme mesh/force 0.750
           Step           Time
      233900000   467800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02993e+03    1.91450e+04    1.30993e+04    1.17005e+03   -2.97401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93658e+03    9.25285e+04    4.01608e+05   -2.33777e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67044e+04   -2.44790e+06    4.80455e+05   -1.96745e+06    2.48954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11488e+02   -2.07137e+02    3.19561e+01    5.77986e-06


DD  step 233904999 load imb.: force 15.2%  pme mesh/force 0.757
           Step           Time
      233905000   467810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94474e+03    1.95862e+04    1.30413e+04    1.15241e+03   -2.87509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99623e+03    9.30598e+04    4.00484e+05   -2.33487e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63909e+04   -2.44768e+06    4.80829e+05   -1.96686e+06    2.48960e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11730e+02   -2.06623e+02    5.45212e+01    5.68998e-06


DD  step 233909999 load imb.: force 16.2%  pme mesh/force 0.745
           Step           Time
      233910000   467820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84946e+03    1.94806e+04    1.30351e+04    1.11834e+03   -3.02442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91245e+03    9.26750e+04    4.00764e+05   -2.34207e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64840e+04   -2.44746e+06    4.78952e+05   -1.96851e+06    2.48966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10513e+02   -2.07898e+02    5.41134e+01    5.89346e-06


DD  step 233914999 load imb.: force 21.2%  pme mesh/force 0.769
           Step           Time
      233915000   467830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07370e+03    1.91041e+04    1.29322e+04    1.07715e+03   -2.97391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80245e+03    9.37049e+04    3.99958e+05   -2.34102e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64910e+04   -2.44850e+06    4.79175e+05   -1.96933e+06    2.48972e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10658e+02   -2.07711e+02   -4.60645e+01    5.70194e-06


DD  step 233919999 load imb.: force 17.4%  pme mesh/force 0.749
           Step           Time
      233920000   467840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09945e+03    1.96608e+04    1.31516e+04    1.20585e+03   -3.06148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86558e+03    9.25476e+04    4.02574e+05   -2.33896e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66619e+04   -2.44697e+06    4.80819e+05   -1.96615e+06    2.48978e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11723e+02   -2.07346e+02    3.32021e+01    5.81175e-06


DD  step 233924999 load imb.: force 16.6%  pme mesh/force 0.761
           Step           Time
      233925000   467850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74308e+03    1.94709e+04    1.30738e+04    1.17793e+03   -3.01740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96598e+03    9.29026e+04    4.02941e+05   -2.33325e+04   -2.97992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64500e+04   -2.44754e+06    4.77918e+05   -1.96963e+06    2.48983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09843e+02   -2.06337e+02    5.98758e+01    5.74343e-06


DD  step 233929999 load imb.: force 18.4%  pme mesh/force 0.762
           Step           Time
      233930000   467860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08132e+03    1.96123e+04    1.31181e+04    1.16796e+03   -3.21469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78548e+03    9.28300e+04    4.00140e+05   -2.33237e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63791e+04   -2.44763e+06    4.78628e+05   -1.96900e+06    2.48989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10303e+02   -2.06181e+02   -1.12297e+02    5.75635e-06


DD  step 233934999 load imb.: force 15.8%  pme mesh/force 0.744
           Step           Time
      233935000   467870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13033e+03    1.96294e+04    1.30855e+04    1.21516e+03   -3.14851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79172e+03    9.26470e+04    4.01006e+05   -2.34018e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66377e+04   -2.44525e+06    4.79150e+05   -1.96610e+06    2.48995e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.07562e+02    1.77454e+01    5.89672e-06


DD  step 233939999 load imb.: force 15.6%  pme mesh/force 0.772
           Step           Time
      233940000   467880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87855e+03    1.92613e+04    1.31112e+04    1.15097e+03   -3.10419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.05069e+03    9.25078e+04    3.97667e+05   -2.33490e+04   -2.97301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65840e+04   -2.44625e+06    4.80277e+05   -1.96598e+06    2.49000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.06628e+02   -5.28593e+01    5.91725e-06


DD  step 233944999 load imb.: force 15.0%  pme mesh/force 0.759
           Step           Time
      233945000   467890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34069e+03    1.90282e+04    1.31475e+04    1.21452e+03   -3.09809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86612e+03    9.27027e+04    4.02332e+05   -2.33893e+04   -2.97921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65812e+04   -2.44748e+06    4.79930e+05   -1.96755e+06    2.49006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11147e+02   -2.07342e+02    3.75960e+00    5.92358e-06


DD  step 233949999 load imb.: force 16.5%  pme mesh/force 0.760
           Step           Time
      233950000   467900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14587e+03    1.91609e+04    1.30737e+04    1.16334e+03   -2.96916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81289e+03    9.29516e+04    3.97525e+05   -2.33651e+04   -2.97358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65616e+04   -2.44652e+06    4.78519e+05   -1.96800e+06    2.49011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10232e+02   -2.06913e+02   -1.05625e+02    5.91603e-06


DD  step 233954999 load imb.: force 18.4%  pme mesh/force 0.744
           Step           Time
      233955000   467910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11242e+03    1.91440e+04    1.29679e+04    1.14911e+03   -2.96155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81673e+03    9.29532e+04    3.99238e+05   -2.33465e+04   -2.97403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64189e+04   -2.44554e+06    4.78441e+05   -1.96710e+06    2.49017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10182e+02   -2.06585e+02   -5.82314e+01    5.87465e-06


DD  step 233959999 load imb.: force 16.5%  pme mesh/force 0.752
           Step           Time
      233960000   467920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00978e+03    1.94515e+04    1.30289e+04    1.19333e+03   -3.01140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78916e+03    9.32374e+04    4.02745e+05   -2.33560e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64366e+04   -2.44646e+06    4.79375e+05   -1.96709e+06    2.49023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.06753e+02    6.51377e+01    5.75959e-06


DD  step 233964999 load imb.: force 19.3%  pme mesh/force 0.790
           Step           Time
      233965000   467930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83098e+03    1.93134e+04    1.28771e+04    1.11559e+03   -3.12888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79927e+03    9.29511e+04    3.99669e+05   -2.34103e+04   -2.97761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64465e+04   -2.44915e+06    4.79668e+05   -1.96948e+06    2.49028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10977e+02   -2.07713e+02    1.57693e+01    5.86746e-06


DD  step 233969999 load imb.: force 16.2%  pme mesh/force 0.771
           Step           Time
      233970000   467940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36049e+03    1.94871e+04    1.31811e+04    1.18719e+03   -3.05090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78922e+03    9.26984e+04    3.99411e+05   -2.33719e+04   -2.97485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63391e+04   -2.44582e+06    4.77561e+05   -1.96826e+06    2.49035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09611e+02   -2.07033e+02   -5.39640e+01    5.83305e-06


DD  step 233974999 load imb.: force 16.4%  pme mesh/force 0.775
           Step           Time
      233975000   467950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00233e+03    1.92639e+04    1.30385e+04    1.19724e+03   -3.09839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72961e+03    9.31459e+04    3.97610e+05   -2.33828e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62104e+04   -2.45000e+06    4.78703e+05   -1.97130e+06    2.49040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10352e+02   -2.07226e+02   -1.70053e+02    5.81418e-06


DD  step 233979999 load imb.: force 16.5%  pme mesh/force 0.812
           Step           Time
      233980000   467960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83974e+03    1.94471e+04    1.30676e+04    1.16314e+03   -2.94334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76514e+03    9.32020e+04    4.03110e+05   -2.33606e+04   -2.98024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65550e+04   -2.44740e+06    4.78529e+05   -1.96887e+06    2.49046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10239e+02   -2.06834e+02    7.17204e+01    5.97906e-06


DD  step 233984999 load imb.: force 15.5%  pme mesh/force 0.742
           Step           Time
      233985000   467970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75452e+03    1.96168e+04    1.30971e+04    1.13708e+03   -3.01459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86447e+03    9.36263e+04    4.00352e+05   -2.34235e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64352e+04   -2.44849e+06    4.78832e+05   -1.96965e+06    2.49052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10436e+02   -2.07947e+02   -1.38458e+01    5.85180e-06


DD  step 233989999 load imb.: force 16.3%  pme mesh/force 0.766
           Step           Time
      233990000   467980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07968e+03    1.94603e+04    1.31389e+04    1.17163e+03   -3.05754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76841e+03    9.30539e+04    4.01704e+05   -2.34121e+04   -2.97794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66190e+04   -2.44642e+06    4.80475e+05   -1.96594e+06    2.49057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11500e+02   -2.07745e+02    5.84871e+01    5.91908e-06


DD  step 233994999 load imb.: force 17.2%  pme mesh/force 0.766
           Step           Time
      233995000   467990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14109e+03    1.98805e+04    1.29926e+04    1.18287e+03   -3.03850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72653e+03    9.31502e+04    3.99673e+05   -2.33304e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65018e+04   -2.44628e+06    4.79563e+05   -1.96672e+06    2.49063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10909e+02   -2.06300e+02   -5.33097e+01    6.14921e-06


DD  step 233999999 load imb.: force 15.9%  pme mesh/force 0.800
           Step           Time
      234000000   468000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77655e+03    1.87953e+04    1.31431e+04    1.24602e+03   -2.95451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85909e+03    9.36652e+04    4.01008e+05   -2.33837e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66524e+04   -2.44979e+06    4.78486e+05   -1.97130e+06    2.49068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.07243e+02   -2.41289e+01    5.73361e-06


DD  step 234004999 load imb.: force 16.4%  pme mesh/force 0.780
           Step           Time
      234005000   468010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98370e+03    1.94484e+04    1.30131e+04    1.16878e+03   -2.99241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91968e+03    9.27991e+04    4.00536e+05   -2.33979e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62524e+04   -2.44972e+06    4.78077e+05   -1.97164e+06    2.49074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09946e+02   -2.07494e+02    1.88682e+01    5.76092e-06


DD  step 234009999 load imb.: force 14.7%  pme mesh/force 0.765
           Step           Time
      234010000   468020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89933e+03    1.93079e+04    1.30835e+04    1.18663e+03   -3.09568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75840e+03    9.31076e+04    4.03046e+05   -2.34225e+04   -2.98098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63922e+04   -2.44872e+06    4.78706e+05   -1.97001e+06    2.49080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10354e+02   -2.07930e+02    5.32947e+01    5.88129e-06


DD  step 234014999 load imb.: force 17.7%  pme mesh/force 0.816
           Step           Time
      234015000   468030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92790e+03    1.93821e+04    1.30358e+04    1.20369e+03   -3.17051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80386e+03    9.33043e+04    4.04246e+05   -2.33677e+04   -2.98136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63598e+04   -2.44764e+06    4.80512e+05   -1.96713e+06    2.49086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11525e+02   -2.06960e+02    8.88328e+01    5.89781e-06


DD  step 234019999 load imb.: force 17.6%  pme mesh/force 0.767
           Step           Time
      234020000   468040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92451e+03    1.94219e+04    1.30482e+04    1.17216e+03   -3.11895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87574e+03    9.31996e+04    3.97061e+05   -2.33469e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64801e+04   -2.44891e+06    4.77911e+05   -1.97099e+06    2.49092e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09838e+02   -2.06592e+02   -8.93214e+01    5.86446e-06


DD  step 234024999 load imb.: force 17.4%  pme mesh/force 0.779
           Step           Time
      234025000   468050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73370e+03    1.94398e+04    1.31512e+04    1.24859e+03   -3.04788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75824e+03    9.32846e+04    4.00348e+05   -2.34008e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64026e+04   -2.44621e+06    4.78804e+05   -1.96741e+06    2.49097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10417e+02   -2.07546e+02    4.42039e+01    5.90434e-06


DD  step 234029999 load imb.: force 16.2%  pme mesh/force 0.774
           Step           Time
      234030000   468060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00103e+03    1.93072e+04    1.30939e+04    1.26668e+03   -3.08634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90964e+03    9.31235e+04    4.00698e+05   -2.33874e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65435e+04   -2.44893e+06    4.78183e+05   -1.97075e+06    2.49103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10014e+02   -2.07308e+02    2.14026e+01    5.96555e-06


DD  step 234034999 load imb.: force 16.7%  pme mesh/force 0.786
           Step           Time
      234035000   468070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94154e+03    1.96011e+04    1.29880e+04    1.13752e+03   -3.06049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75861e+03    9.30563e+04    4.00850e+05   -2.34286e+04   -2.97860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65047e+04   -2.44825e+06    4.79013e+05   -1.96924e+06    2.49109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10553e+02   -2.08038e+02   -1.17113e+01    5.83642e-06


DD  step 234039999 load imb.: force 17.5%  pme mesh/force 0.787
           Step           Time
      234040000   468080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09753e+03    1.94496e+04    1.29964e+04    1.26841e+03   -2.90581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79398e+03    9.30782e+04    4.00591e+05   -2.33684e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64480e+04   -2.44875e+06    4.81999e+05   -1.96675e+06    2.49114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12488e+02   -2.06972e+02   -4.58193e+01    5.95621e-06


DD  step 234044999 load imb.: force 15.1%  pme mesh/force 0.754
           Step           Time
      234045000   468090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05836e+03    1.95883e+04    1.32827e+04    1.20511e+03   -3.06944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83168e+03    9.30331e+04    3.99905e+05   -2.33993e+04   -2.97563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64949e+04   -2.44570e+06    4.79956e+05   -1.96574e+06    2.49120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11164e+02   -2.07519e+02    4.22845e+01    5.79719e-06


DD  step 234049999 load imb.: force 15.7%  pme mesh/force 0.725
           Step           Time
      234050000   468100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99451e+03    1.93141e+04    1.31898e+04    1.25520e+03   -3.18034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94417e+03    9.32116e+04    4.04102e+05   -2.34301e+04   -2.98265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62702e+04   -2.44898e+06    4.81426e+05   -1.96755e+06    2.49126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12117e+02   -2.08065e+02    1.00572e+02    5.92326e-06


DD  step 234054999 load imb.: force 16.3%  pme mesh/force 0.778
           Step           Time
      234055000   468110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97029e+03    1.95500e+04    1.30414e+04    1.15733e+03   -3.05233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83742e+03    9.33279e+04    3.99453e+05   -2.33808e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65138e+04   -2.44781e+06    4.80951e+05   -1.96686e+06    2.49132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11809e+02   -2.07192e+02   -4.67368e+01    5.86561e-06


DD  step 234059999 load imb.: force 14.7%  pme mesh/force 0.739
           Step           Time
      234060000   468120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84036e+03    1.91887e+04    1.30057e+04    1.15550e+03   -3.15392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89313e+03    9.36567e+04    3.98130e+05   -2.33985e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62223e+04   -2.45079e+06    4.78579e+05   -1.97221e+06    2.49137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10272e+02   -2.07505e+02   -6.98358e+01    5.87272e-06


DD  step 234064999 load imb.: force 16.6%  pme mesh/force 0.802
           Step           Time
      234065000   468130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96601e+03    1.91701e+04    1.32932e+04    1.15629e+03   -3.04854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97163e+03    9.32824e+04    4.00132e+05   -2.33766e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65911e+04   -2.44645e+06    4.81778e+05   -1.96467e+06    2.49143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12345e+02   -2.07116e+02    2.14666e+01    5.76202e-06


DD  step 234069999 load imb.: force 14.9%  pme mesh/force 0.752
           Step           Time
      234070000   468140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74740e+03    1.95384e+04    1.30360e+04    1.18634e+03   -3.10169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77723e+03    9.31565e+04    4.00483e+05   -2.34507e+04   -2.97961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65147e+04   -2.44972e+06    4.78330e+05   -1.97139e+06    2.49149e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10110e+02   -2.08429e+02    3.59422e+01    5.95110e-06


DD  step 234074999 load imb.: force 15.1%  pme mesh/force 0.776
           Step           Time
      234075000   468150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18281e+03    1.95236e+04    1.30513e+04    1.16237e+03   -3.04548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72322e+03    9.28780e+04    3.98698e+05   -2.33774e+04   -2.97241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67212e+04   -2.44389e+06    4.79776e+05   -1.96411e+06    2.49154e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.07132e+02   -6.36762e+01    5.97964e-06


DD  step 234079999 load imb.: force 14.3%  pme mesh/force 0.761
           Step           Time
      234080000   468160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23512e+03    1.92062e+04    1.31106e+04    1.09859e+03   -3.09292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84845e+03    9.30629e+04    4.00116e+05   -2.34173e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63858e+04   -2.44798e+06    4.79672e+05   -1.96831e+06    2.49160e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.07837e+02   -3.81032e+01    5.87676e-06


DD  step 234084999 load imb.: force 14.7%  pme mesh/force 0.738
           Step           Time
      234085000   468170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12397e+03    1.93527e+04    1.30697e+04    1.13781e+03   -3.12747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74889e+03    9.28004e+04    3.99533e+05   -2.34495e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63358e+04   -2.44978e+06    4.79609e+05   -1.97017e+06    2.49166e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10939e+02   -2.08409e+02   -2.13426e+01    6.04511e-06


DD  step 234089999 load imb.: force 20.3%  pme mesh/force 0.819
           Step           Time
      234090000   468180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15226e+03    1.92292e+04    1.28999e+04    1.07725e+03   -3.04932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66788e+03    9.33715e+04    4.01246e+05   -2.33440e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65529e+04   -2.44801e+06    4.78271e+05   -1.96974e+06    2.49172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10072e+02   -2.06540e+02   -5.54229e+01    5.80451e-06


DD  step 234094999 load imb.: force 16.1%  pme mesh/force 0.734
           Step           Time
      234095000   468190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19214e+03    1.95896e+04    1.30619e+04    1.18892e+03   -2.99243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82959e+03    9.24890e+04    3.97560e+05   -2.33927e+04   -2.97415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65024e+04   -2.44712e+06    4.80091e+05   -1.96703e+06    2.49178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11252e+02   -2.07402e+02   -1.20470e+02    5.68601e-06


DD  step 234099999 load imb.: force 15.8%  pme mesh/force 0.749
           Step           Time
      234100000   468200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15293e+03    1.94729e+04    1.31608e+04    1.16652e+03   -3.02424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81115e+03    9.26303e+04    3.98135e+05   -2.33421e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66062e+04   -2.44659e+06    4.80897e+05   -1.96569e+06    2.49183e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11774e+02   -2.06507e+02   -9.63395e+01    5.90792e-06


DD  step 234104999 load imb.: force 16.5%  pme mesh/force 0.739
           Step           Time
      234105000   468210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92788e+03    1.92644e+04    1.32117e+04    1.21079e+03   -3.06337e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92111e+03    9.29873e+04    4.01313e+05   -2.34142e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66496e+04   -2.44604e+06    4.79853e+05   -1.96619e+06    2.49190e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11097e+02   -2.07782e+02    5.76990e+01    5.76512e-06


DD  step 234109999 load imb.: force 16.1%  pme mesh/force 0.760
           Step           Time
      234110000   468220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04004e+03    1.92785e+04    1.30499e+04    1.23375e+03   -2.99271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89847e+03    9.34684e+04    4.02165e+05   -2.33791e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65565e+04   -2.44454e+06    4.80518e+05   -1.96402e+06    2.49195e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11528e+02   -2.07161e+02    6.90889e+01    5.84981e-06


DD  step 234114999 load imb.: force 15.0%  pme mesh/force 0.775
           Step           Time
      234115000   468230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65612e+03    1.93724e+04    1.29016e+04    1.10386e+03   -3.01859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80814e+03    9.34506e+04    4.01074e+05   -2.33590e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64678e+04   -2.44679e+06    4.79096e+05   -1.96769e+06    2.49201e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.06805e+02    3.54289e+01    5.90714e-06


DD  step 234119999 load imb.: force 15.1%  pme mesh/force 0.759
           Step           Time
      234120000   468240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00221e+03    1.93324e+04    1.29150e+04    1.20144e+03   -2.98127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85623e+03    9.32929e+04    4.02047e+05   -2.34310e+04   -2.97978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65120e+04   -2.44804e+06    4.81310e+05   -1.96673e+06    2.49207e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12042e+02   -2.08080e+02    1.04314e+02    6.04446e-06


DD  step 234124999 load imb.: force 15.5%  pme mesh/force 0.748
           Step           Time
      234125000   468250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01210e+03    1.93014e+04    1.32727e+04    1.26306e+03   -3.06283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84510e+03    9.34497e+04    4.01699e+05   -2.34316e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64220e+04   -2.44512e+06    4.80725e+05   -1.96440e+06    2.49213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11662e+02   -2.08092e+02    8.86774e+01    5.96896e-06


DD  step 234129999 load imb.: force 16.4%  pme mesh/force 0.756
           Step           Time
      234130000   468260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84153e+03    1.92600e+04    1.30756e+04    1.17218e+03   -3.02257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96149e+03    9.35460e+04    4.01005e+05   -2.33629e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65108e+04   -2.44470e+06    4.78486e+05   -1.96622e+06    2.49219e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.06874e+02    6.44865e+01    5.87491e-06


DD  step 234134999 load imb.: force 16.0%  pme mesh/force 0.755
           Step           Time
      234135000   468270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79598e+03    1.95784e+04    1.30866e+04    1.12051e+03   -2.95891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97606e+03    9.36457e+04    4.02033e+05   -2.33867e+04   -2.98017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65809e+04   -2.44770e+06    4.78951e+05   -1.96875e+06    2.49225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10512e+02   -2.07295e+02    4.56283e+01    5.77773e-06


DD  step 234139999 load imb.: force 15.9%  pme mesh/force 0.743
           Step           Time
      234140000   468280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14053e+03    1.97724e+04    1.29651e+04    1.17254e+03   -3.10933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78194e+03    9.30855e+04    3.98078e+05   -2.33507e+04   -2.97362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68110e+04   -2.44527e+06    4.77807e+05   -1.96747e+06    2.49230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09771e+02   -2.06658e+02   -9.35128e+01    5.80191e-06

Writing checkpoint, step 234144250 at Wed Nov  8 06:01:28 2023



DD  step 234144999 load imb.: force 17.4%  pme mesh/force 0.794
           Step           Time
      234145000   468290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07498e+03    1.96315e+04    1.29915e+04    1.25098e+03   -3.02829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94404e+03    9.35396e+04    3.98504e+05   -2.33355e+04   -2.97406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65515e+04   -2.44493e+06    4.81304e+05   -1.96363e+06    2.49236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12038e+02   -2.06390e+02   -5.65298e+01    5.78680e-06


DD  step 234149999 load imb.: force 16.4%  pme mesh/force 0.779
           Step           Time
      234150000   468300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72720e+03    1.98118e+04    1.28858e+04    1.12240e+03   -3.09997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85831e+03    9.32585e+04    4.01339e+05   -2.33754e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66257e+04   -2.44535e+06    4.78547e+05   -1.96680e+06    2.49242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10251e+02   -2.07096e+02    9.69010e+01    5.86387e-06


DD  step 234154999 load imb.: force 18.8%  pme mesh/force 0.813
           Step           Time
      234155000   468310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97514e+03    1.91906e+04    1.31527e+04    1.24966e+03   -3.03618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96315e+03    9.38743e+04    3.98021e+05   -2.34015e+04   -2.97571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65232e+04   -2.44720e+06    4.78068e+05   -1.96913e+06    2.49248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09940e+02   -2.07558e+02   -2.67558e+01    5.90622e-06


DD  step 234159999 load imb.: force 19.6%  pme mesh/force 0.790
           Step           Time
      234160000   468320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15491e+03    1.98389e+04    1.31533e+04    1.19147e+03   -3.00351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66404e+03    9.31639e+04    3.99861e+05   -2.33838e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65179e+04   -2.44477e+06    4.80245e+05   -1.96453e+06    2.49253e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11351e+02   -2.07244e+02   -6.95374e+00    5.97256e-06


DD  step 234164999 load imb.: force 17.3%  pme mesh/force 0.804
           Step           Time
      234165000   468330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78006e+03    1.92744e+04    1.31599e+04    1.26268e+03   -3.01659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86614e+03    9.36725e+04    3.99421e+05   -2.33622e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65511e+04   -2.44783e+06    4.81415e+05   -1.96641e+06    2.49259e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12110e+02   -2.06862e+02   -3.05571e+01    5.89207e-06


DD  step 234169999 load imb.: force 20.0%  pme mesh/force 0.778
           Step           Time
      234170000   468340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92931e+03    1.95265e+04    1.30983e+04    1.11100e+03   -2.98356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74813e+03    9.31165e+04    4.01478e+05   -2.33625e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65708e+04   -2.44413e+06    4.80764e+05   -1.96336e+06    2.49264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11688e+02   -2.06866e+02    5.55730e+01    6.03504e-06


DD  step 234174999 load imb.: force 16.0%  pme mesh/force 0.763
           Step           Time
      234175000   468350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67476e+03    1.91271e+04    1.30814e+04    1.19694e+03   -3.06292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95930e+03    9.37090e+04    3.98449e+05   -2.33871e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63671e+04   -2.44976e+06    4.78388e+05   -1.97137e+06    2.49271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10148e+02   -2.07303e+02   -5.14538e+01    5.81478e-06


DD  step 234179999 load imb.: force 16.1%  pme mesh/force 0.792
           Step           Time
      234180000   468360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09924e+03    1.91594e+04    1.28746e+04    1.22822e+03   -2.96230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79143e+03    9.29343e+04    4.00199e+05   -2.33514e+04   -2.97372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65825e+04   -2.44416e+06    4.78736e+05   -1.96542e+06    2.49276e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.06670e+02    7.15564e+00    5.88444e-06


DD  step 234184999 load imb.: force 16.9%  pme mesh/force 0.781
           Step           Time
      234185000   468370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04984e+03    1.94414e+04    1.32341e+04    1.23868e+03   -3.04797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90339e+03    9.31608e+04    3.98429e+05   -2.33938e+04   -2.97533e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66132e+04   -2.44670e+06    4.80289e+05   -1.96641e+06    2.49282e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.07421e+02   -5.31239e+01    5.66422e-06


DD  step 234189999 load imb.: force 15.4%  pme mesh/force 0.714
           Step           Time
      234190000   468380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03773e+03    1.95592e+04    1.31451e+04    1.21703e+03   -3.09114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75997e+03    9.31206e+04    4.02243e+05   -2.33563e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63360e+04   -2.44555e+06    4.81149e+05   -1.96440e+06    2.49287e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11937e+02   -2.06758e+02    1.75117e+01    5.74424e-06


DD  step 234194999 load imb.: force 16.6%  pme mesh/force 0.770
           Step           Time
      234195000   468390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90533e+03    1.93906e+04    1.29395e+04    1.15555e+03   -3.04055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73117e+03    9.31861e+04    4.00037e+05   -2.33682e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62880e+04   -2.44867e+06    4.78061e+05   -1.97061e+06    2.49293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09935e+02   -2.06967e+02   -5.64529e+01    5.93812e-06


DD  step 234199999 load imb.: force 14.9%  pme mesh/force 0.725
           Step           Time
      234200000   468400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24843e+03    1.95198e+04    1.32206e+04    1.20427e+03   -3.17952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73040e+03    9.32113e+04    4.00765e+05   -2.34010e+04   -2.98007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66270e+04   -2.44913e+06    4.79690e+05   -1.96944e+06    2.49299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10991e+02   -2.07549e+02   -3.08428e+01    5.76535e-06


DD  step 234204999 load imb.: force 16.0%  pme mesh/force 0.728
           Step           Time
      234205000   468410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16938e+03    1.92645e+04    1.32182e+04    1.14998e+03   -3.17156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75654e+03    9.26637e+04    4.00958e+05   -2.33621e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65801e+04   -2.44961e+06    4.80340e+05   -1.96927e+06    2.49305e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.06861e+02    5.74442e+00    6.06179e-06


DD  step 234209999 load imb.: force 16.3%  pme mesh/force 0.744
           Step           Time
      234210000   468420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00513e+03    1.94876e+04    1.30741e+04    1.16927e+03   -2.95255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78491e+03    9.32126e+04    4.00755e+05   -2.34056e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64236e+04   -2.44445e+06    4.80694e+05   -1.96375e+06    2.49310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11642e+02   -2.07629e+02    6.52678e+01    5.95248e-06


DD  step 234214999 load imb.: force 16.3%  pme mesh/force 0.748
           Step           Time
      234215000   468430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09358e+03    1.95047e+04    1.30139e+04    1.12597e+03   -2.97711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72313e+03    9.30402e+04    3.99219e+05   -2.33950e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67179e+04   -2.44605e+06    4.78377e+05   -1.96767e+06    2.49316e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10140e+02   -2.07442e+02    9.78569e+00    5.93217e-06


DD  step 234219999 load imb.: force 16.7%  pme mesh/force 0.746
           Step           Time
      234220000   468440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18922e+03    1.94730e+04    1.30614e+04    1.16333e+03   -3.06675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80603e+03    9.29515e+04    4.00860e+05   -2.33449e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66266e+04   -2.44527e+06    4.79702e+05   -1.96557e+06    2.49322e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10999e+02   -2.06556e+02   -4.58314e+01    5.84300e-06


DD  step 234224999 load imb.: force 16.3%  pme mesh/force 0.757
           Step           Time
      234225000   468450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87018e+03    1.96162e+04    1.31130e+04    1.15200e+03   -3.07972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92025e+03    9.32313e+04    4.00772e+05   -2.34117e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65805e+04   -2.44639e+06    4.79070e+05   -1.96732e+06    2.49328e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10590e+02   -2.07738e+02    7.78769e+01    5.68206e-06


DD  step 234229999 load imb.: force 16.3%  pme mesh/force 0.794
           Step           Time
      234230000   468460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26407e+03    1.94681e+04    1.31909e+04    1.18253e+03   -3.00159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77486e+03    9.29257e+04    3.97846e+05   -2.33870e+04   -2.97174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63787e+04   -2.44410e+06    4.80595e+05   -1.96350e+06    2.49333e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11578e+02   -2.07301e+02   -1.47436e+01    5.89158e-06


DD  step 234234999 load imb.: force 15.5%  pme mesh/force 0.741
           Step           Time
      234235000   468470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11908e+03    1.98020e+04    1.31059e+04    1.21510e+03   -3.13257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73982e+03    9.24938e+04    3.98386e+05   -2.33779e+04   -2.97072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63616e+04   -2.44301e+06    4.80398e+05   -1.96261e+06    2.49339e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11451e+02   -2.07139e+02   -7.80830e+00    5.62875e-06


DD  step 234239999 load imb.: force 17.0%  pme mesh/force 0.745
           Step           Time
      234240000   468480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19454e+03    1.90974e+04    1.32104e+04    1.22268e+03   -3.02900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87663e+03    9.28100e+04    4.00623e+05   -2.33983e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66634e+04   -2.44441e+06    4.80016e+05   -1.96439e+06    2.49344e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11203e+02   -2.07502e+02    3.69978e+01    6.03001e-06


DD  step 234244999 load imb.: force 17.5%  pme mesh/force 0.789
           Step           Time
      234245000   468490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13545e+03    1.93410e+04    1.31454e+04    1.24020e+03   -3.12504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77540e+03    9.26433e+04    4.00879e+05   -2.33625e+04   -2.97676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65660e+04   -2.44652e+06    4.79208e+05   -1.96731e+06    2.49351e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10679e+02   -2.06868e+02   -1.32197e+01    5.87829e-06


DD  step 234249999 load imb.: force 16.1%  pme mesh/force 0.803
           Step           Time
      234250000   468500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77358e+03    1.94492e+04    1.30329e+04    1.19230e+03   -3.06898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97771e+03    9.32810e+04    3.99313e+05   -2.34005e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64999e+04   -2.44853e+06    4.81656e+05   -1.96687e+06    2.49356e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12266e+02   -2.07540e+02   -5.52103e+00    6.06155e-06


DD  step 234254999 load imb.: force 16.3%  pme mesh/force 0.787
           Step           Time
      234255000   468510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05778e+03    1.98415e+04    1.29961e+04    1.21218e+03   -3.06059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85260e+03    9.26322e+04    4.03901e+05   -2.34241e+04   -2.98044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64834e+04   -2.44695e+06    4.79181e+05   -1.96777e+06    2.49363e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10662e+02   -2.07957e+02    1.82066e+02    5.88522e-06


DD  step 234259999 load imb.: force 16.4%  pme mesh/force 0.759
           Step           Time
      234260000   468520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89620e+03    1.96822e+04    1.31758e+04    1.13628e+03   -3.11054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83787e+03    9.28501e+04    3.98828e+05   -2.34335e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63601e+04   -2.44823e+06    4.77668e+05   -1.97056e+06    2.49368e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09681e+02   -2.08124e+02   -2.50490e+01    5.90955e-06


DD  step 234264999 load imb.: force 15.9%  pme mesh/force 0.747
           Step           Time
      234265000   468530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87231e+03    2.00563e+04    1.33096e+04    1.29599e+03   -3.06149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74640e+03    9.28505e+04    3.98851e+05   -2.33728e+04   -2.97460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67104e+04   -2.44534e+06    4.80181e+05   -1.96516e+06    2.49374e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.07049e+02   -4.20896e+01    5.76934e-06


DD  step 234269999 load imb.: force 15.7%  pme mesh/force 0.760
           Step           Time
      234270000   468540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91697e+03    1.92796e+04    1.32624e+04    1.18624e+03   -3.10979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85789e+03    9.34062e+04    4.00666e+05   -2.34362e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64067e+04   -2.44697e+06    4.77836e+05   -1.96913e+06    2.49380e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09789e+02   -2.08173e+02    4.91714e+01    5.85974e-06


DD  step 234274999 load imb.: force 16.1%  pme mesh/force 0.773
           Step           Time
      234275000   468550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81290e+03    1.94582e+04    1.30269e+04    1.21373e+03   -3.03568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87031e+03    9.29730e+04    4.01690e+05   -2.33814e+04   -2.97928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64937e+04   -2.44816e+06    4.79802e+05   -1.96836e+06    2.49386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11064e+02   -2.07202e+02    6.01637e+01    5.90471e-06


DD  step 234279999 load imb.: force 16.5%  pme mesh/force 0.769
           Step           Time
      234280000   468560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99672e+03    1.92628e+04    1.30407e+04    1.11382e+03   -3.01292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92295e+03    9.31153e+04    4.00964e+05   -2.33456e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64208e+04   -2.44784e+06    4.81590e+05   -1.96625e+06    2.49391e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12224e+02   -2.06568e+02   -9.00357e+00    5.83348e-06


DD  step 234284999 load imb.: force 15.3%  pme mesh/force 0.727
           Step           Time
      234285000   468570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93493e+03    1.95210e+04    1.29882e+04    1.10713e+03   -2.96150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77759e+03    9.28938e+04    4.00180e+05   -2.34372e+04   -2.97731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63787e+04   -2.44793e+06    4.79195e+05   -1.96873e+06    2.49397e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10670e+02   -2.08191e+02    4.68035e+01    5.74720e-06


DD  step 234289999 load imb.: force 16.2%  pme mesh/force 0.757
           Step           Time
      234290000   468580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91503e+03    1.92971e+04    1.31435e+04    1.18626e+03   -3.09589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95986e+03    9.30194e+04    3.98573e+05   -2.33260e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64745e+04   -2.44676e+06    4.79422e+05   -1.96734e+06    2.49403e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.06222e+02   -6.40743e+01    6.00505e-06


DD  step 234294999 load imb.: force 16.4%  pme mesh/force 0.759
           Step           Time
      234295000   468590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18838e+03    1.94417e+04    1.31815e+04    1.14484e+03   -3.08579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78801e+03    9.28793e+04    3.97709e+05   -2.33970e+04   -2.97364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65132e+04   -2.44628e+06    4.77838e+05   -1.96844e+06    2.49409e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09791e+02   -2.07478e+02   -7.19838e+01    6.05094e-06


DD  step 234299999 load imb.: force 15.9%  pme mesh/force 0.752
           Step           Time
      234300000   468600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20472e+03    1.91604e+04    1.31220e+04    1.19530e+03   -3.17429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67741e+03    9.36082e+04    4.00533e+05   -2.33816e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64449e+04   -2.44957e+06    4.80812e+05   -1.96875e+06    2.49414e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11719e+02   -2.07205e+02   -5.19737e+01    6.02623e-06


DD  step 234304999 load imb.: force 17.3%  pme mesh/force 0.816
           Step           Time
      234305000   468610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06981e+03    1.94330e+04    1.30473e+04    1.17956e+03   -3.13974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76939e+03    9.31159e+04    3.99929e+05   -2.33498e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62990e+04   -2.44955e+06    4.78395e+05   -1.97116e+06    2.49420e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.06642e+02   -4.07485e+01    5.82009e-06


DD  step 234309999 load imb.: force 15.6%  pme mesh/force 0.737
           Step           Time
      234310000   468620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05332e+03    1.92299e+04    1.31294e+04    1.19338e+03   -3.14167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77529e+03    9.34095e+04    4.02456e+05   -2.33639e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66087e+04   -2.44756e+06    4.80470e+05   -1.96709e+06    2.49426e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11497e+02   -2.06893e+02    4.18202e+01    5.88421e-06


DD  step 234314999 load imb.: force 16.4%  pme mesh/force 0.795
           Step           Time
      234315000   468630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09984e+03    1.96252e+04    1.32155e+04    1.21136e+03   -3.14900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87766e+03    9.34946e+04    4.00033e+05   -2.33585e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63679e+04   -2.44437e+06    4.79459e+05   -1.96491e+06    2.49431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10842e+02   -2.06796e+02    7.00407e+00    5.82329e-06


DD  step 234319999 load imb.: force 15.0%  pme mesh/force 0.732
           Step           Time
      234320000   468640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95096e+03    1.93230e+04    1.31377e+04    1.15887e+03   -3.08416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78182e+03    9.31512e+04    3.99769e+05   -2.33849e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65287e+04   -2.44836e+06    4.78330e+05   -1.97003e+06    2.49437e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10110e+02   -2.07264e+02   -2.79827e+01    5.81228e-06


DD  step 234324999 load imb.: force 16.1%  pme mesh/force 0.794
           Step           Time
      234325000   468650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91824e+03    1.93636e+04    1.32255e+04    1.22015e+03   -3.23448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84855e+03    9.31867e+04    3.97605e+05   -2.33352e+04   -2.97328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65174e+04   -2.44597e+06    4.79557e+05   -1.96641e+06    2.49442e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10905e+02   -2.06384e+02   -1.08045e+02    6.02583e-06


DD  step 234329999 load imb.: force 15.5%  pme mesh/force 0.739
           Step           Time
      234330000   468660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10539e+03    1.93157e+04    1.30155e+04    1.17493e+03   -3.02565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75506e+03    9.32528e+04    4.01257e+05   -2.34260e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68000e+04   -2.44869e+06    4.79330e+05   -1.96936e+06    2.49449e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.07991e+02   -2.59765e+01    5.92611e-06


DD  step 234334999 load imb.: force 17.1%  pme mesh/force 0.733
           Step           Time
      234335000   468670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83774e+03    1.95958e+04    1.30508e+04    1.20911e+03   -3.04244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88471e+03    9.32521e+04    4.00318e+05   -2.34264e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67251e+04   -2.44545e+06    4.78403e+05   -1.96704e+06    2.49454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10157e+02   -2.08000e+02    6.47394e+01    5.94183e-06


DD  step 234339999 load imb.: force 15.3%  pme mesh/force 0.742
           Step           Time
      234340000   468680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08890e+03    1.96194e+04    1.29102e+04    1.23588e+03   -3.05680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81906e+03    9.31672e+04    3.98963e+05   -2.33872e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65354e+04   -2.44597e+06    4.81933e+05   -1.96404e+06    2.49460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12446e+02   -2.07304e+02   -3.58539e+01    5.95742e-06


DD  step 234344999 load imb.: force 16.3%  pme mesh/force 0.758
           Step           Time
      234345000   468690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25404e+03    1.96907e+04    1.30813e+04    1.18279e+03   -3.19299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89163e+03    9.32740e+04    3.97970e+05   -2.33569e+04   -2.97407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62998e+04   -2.44598e+06    4.79985e+05   -1.96599e+06    2.49465e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11183e+02   -2.06768e+02   -3.58687e+01    5.86521e-06


DD  step 234349999 load imb.: force 15.6%  pme mesh/force 0.740
           Step           Time
      234350000   468700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83028e+03    1.92242e+04    1.29690e+04    1.15161e+03   -3.06045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64975e+03    9.37190e+04    4.00733e+05   -2.34235e+04   -2.97819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65260e+04   -2.44787e+06    4.79444e+05   -1.96843e+06    2.49471e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10832e+02   -2.07948e+02    3.78808e+01    5.86964e-06


DD  step 234354999 load imb.: force 16.0%  pme mesh/force 0.767
           Step           Time
      234355000   468710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18180e+03    1.95174e+04    1.31617e+04    1.12013e+03   -3.10371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79860e+03    9.28613e+04    4.00527e+05   -2.33195e+04   -2.97410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65054e+04   -2.44385e+06    4.80531e+05   -1.96332e+06    2.49477e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11537e+02   -2.06107e+02   -5.95805e+00    5.84187e-06


DD  step 234359999 load imb.: force 16.9%  pme mesh/force 0.808
           Step           Time
      234360000   468720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02971e+03    1.92777e+04    1.30873e+04    1.17697e+03   -3.19913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72427e+03    9.31051e+04    3.98706e+05   -2.33579e+04   -2.97580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66116e+04   -2.44764e+06    4.80023e+05   -1.96762e+06    2.49482e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.06786e+02   -9.09179e+01    6.06745e-06


DD  step 234364999 load imb.: force 16.0%  pme mesh/force 0.781
           Step           Time
      234365000   468730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00034e+03    1.94362e+04    1.32034e+04    1.27157e+03   -3.17614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65779e+03    9.34398e+04    3.99603e+05   -2.34312e+04   -2.97995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63635e+04   -2.45058e+06    4.81062e+05   -1.96952e+06    2.49488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11881e+02   -2.08084e+02   -3.98554e+01    5.68326e-06


DD  step 234369999 load imb.: force 16.8%  pme mesh/force 0.801
           Step           Time
      234370000   468740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91158e+03    1.94456e+04    1.32355e+04    1.24612e+03   -3.18032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76620e+03    9.30873e+04    4.01261e+05   -2.33594e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64763e+04   -2.44657e+06    4.80794e+05   -1.96577e+06    2.49494e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11707e+02   -2.06813e+02    8.04176e+00    5.98585e-06


DD  step 234374999 load imb.: force 17.5%  pme mesh/force 0.796
           Step           Time
      234375000   468750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04860e+03    1.97379e+04    1.29471e+04    1.20304e+03   -2.99361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65898e+03    9.36366e+04    4.01226e+05   -2.33735e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65002e+04   -2.44617e+06    4.80502e+05   -1.96567e+06    2.49500e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11518e+02   -2.07062e+02    2.95106e+01    5.95049e-06


DD  step 234379999 load imb.: force 16.6%  pme mesh/force 0.773
           Step           Time
      234380000   468760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92907e+03    1.94505e+04    1.30155e+04    1.13336e+03   -3.07649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81255e+03    9.26932e+04    3.98587e+05   -2.33722e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66550e+04   -2.44827e+06    4.79824e+05   -1.96845e+06    2.49506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11078e+02   -2.07038e+02   -3.09325e+01    5.99472e-06


DD  step 234384999 load imb.: force 16.1%  pme mesh/force 0.782
           Step           Time
      234385000   468770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82586e+03    1.95756e+04    1.30255e+04    1.19631e+03   -3.12988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84835e+03    9.29215e+04    4.01828e+05   -2.33724e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65805e+04   -2.44626e+06    4.78498e+05   -1.96776e+06    2.49511e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10219e+02   -2.07042e+02    2.78189e+01    5.90073e-06


DD  step 234389999 load imb.: force 16.0%  pme mesh/force 0.759
           Step           Time
      234390000   468780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05780e+03    1.97047e+04    1.29720e+04    1.16444e+03   -3.08059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88361e+03    9.27538e+04    4.02345e+05   -2.34452e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64065e+04   -2.44661e+06    4.81818e+05   -1.96479e+06    2.49517e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12371e+02   -2.08332e+02    1.42933e+02    6.09960e-06


DD  step 234394999 load imb.: force 16.0%  pme mesh/force 0.783
           Step           Time
      234395000   468790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13165e+03    1.89436e+04    1.30706e+04    1.26009e+03   -3.09736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75657e+03    9.32508e+04    3.98796e+05   -2.33553e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64880e+04   -2.44718e+06    4.79821e+05   -1.96736e+06    2.49523e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.06740e+02   -6.05941e+01    5.68988e-06


DD  step 234399999 load imb.: force 16.6%  pme mesh/force 0.761
           Step           Time
      234400000   468800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15087e+03    1.95397e+04    1.32257e+04    1.20075e+03   -3.12052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79671e+03    9.26911e+04    3.98766e+05   -2.33606e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67696e+04   -2.44600e+06    4.80620e+05   -1.96538e+06    2.49529e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11594e+02   -2.06833e+02   -5.42884e+01    5.95733e-06


DD  step 234404999 load imb.: force 17.3%  pme mesh/force 0.728
           Step           Time
      234405000   468810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17983e+03    1.97530e+04    1.31312e+04    1.12911e+03   -3.12608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76965e+03    9.26346e+04    3.99414e+05   -2.33230e+04   -2.97159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66953e+04   -2.44233e+06    4.78381e+05   -1.96395e+06    2.49535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10143e+02   -2.06170e+02   -4.23332e+00    6.05187e-06


DD  step 234409999 load imb.: force 16.6%  pme mesh/force 0.764
           Step           Time
      234410000   468820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01677e+03    1.99549e+04    1.32476e+04    1.20075e+03   -3.03267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73030e+03    9.24036e+04    4.02151e+05   -2.34060e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63022e+04   -2.44622e+06    4.80312e+05   -1.96591e+06    2.49541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11395e+02   -2.07637e+02    2.50771e+01    5.86778e-06


DD  step 234414999 load imb.: force 17.2%  pme mesh/force 0.741
           Step           Time
      234415000   468830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07844e+03    1.95927e+04    1.29071e+04    1.14536e+03   -3.04836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85040e+03    9.23951e+04    3.99924e+05   -2.33676e+04   -2.97382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65597e+04   -2.44478e+06    4.77303e+05   -1.96748e+06    2.49546e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09444e+02   -2.06958e+02   -1.93212e+01    5.82606e-06


DD  step 234419999 load imb.: force 17.5%  pme mesh/force 0.750
           Step           Time
      234420000   468840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36581e+03    1.91698e+04    1.31666e+04    1.21031e+03   -3.08193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59534e+03    9.28233e+04    4.00675e+05   -2.34058e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65037e+04   -2.44830e+06    4.79612e+05   -1.96868e+06    2.49552e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.07633e+02   -7.76880e+01    5.92068e-06


DD  step 234424999 load imb.: force 17.6%  pme mesh/force 0.760
           Step           Time
      234425000   468850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91424e+03    1.95196e+04    1.30663e+04    1.22958e+03   -2.99321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87201e+03    9.33389e+04    4.02886e+05   -2.33905e+04   -2.98018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63241e+04   -2.44741e+06    4.80993e+05   -1.96642e+06    2.49558e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11836e+02   -2.07363e+02    9.11754e+01    5.89484e-06


DD  step 234429999 load imb.: force 15.9%  pme mesh/force 0.757
           Step           Time
      234430000   468860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90558e+03    1.94699e+04    1.31872e+04    1.12892e+03   -2.97848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76986e+03    9.31558e+04    4.01227e+05   -2.33759e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64545e+04   -2.44791e+06    4.79888e+05   -1.96802e+06    2.49563e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11120e+02   -2.07104e+02   -4.07974e+00    5.91743e-06


DD  step 234434999 load imb.: force 18.1%  pme mesh/force 0.795
           Step           Time
      234435000   468870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21117e+03    1.96046e+04    1.30874e+04    1.25369e+03   -2.99880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76809e+03    9.25753e+04    4.02797e+05   -2.34290e+04   -2.98193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63941e+04   -2.44966e+06    4.80862e+05   -1.96880e+06    2.49570e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11751e+02   -2.08046e+02    8.13552e+01    5.80448e-06


DD  step 234439999 load imb.: force 17.6%  pme mesh/force 0.761
           Step           Time
      234440000   468880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88690e+03    1.99186e+04    1.29484e+04    1.21697e+03   -3.05141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72232e+03    9.28833e+04    3.98928e+05   -2.33504e+04   -2.97333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64488e+04   -2.44478e+06    4.80348e+05   -1.96443e+06    2.49575e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.06653e+02   -6.29939e+01    5.89312e-06


DD  step 234444999 load imb.: force 18.4%  pme mesh/force 0.760
           Step           Time
      234445000   468890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16326e+03    1.94421e+04    1.30220e+04    1.21353e+03   -3.02844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78772e+03    9.27878e+04    4.00993e+05   -2.33954e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64690e+04   -2.44632e+06    4.79376e+05   -1.96694e+06    2.49581e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10788e+02   -2.07449e+02    5.73883e+00    5.87542e-06


DD  step 234449999 load imb.: force 17.7%  pme mesh/force 0.761
           Step           Time
      234450000   468900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18399e+03    1.97560e+04    1.30024e+04    1.15510e+03   -3.01598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84286e+03    9.22355e+04    4.01897e+05   -2.34361e+04   -2.98143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65518e+04   -2.45025e+06    4.81917e+05   -1.96834e+06    2.49586e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12435e+02   -2.08171e+02    1.88334e+01    5.80015e-06


DD  step 234454999 load imb.: force 15.8%  pme mesh/force 0.737
           Step           Time
      234455000   468910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29572e+03    1.97396e+04    1.31251e+04    1.22865e+03   -3.06211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77004e+03    9.22399e+04    4.02284e+05   -2.33702e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64104e+04   -2.44846e+06    4.80688e+05   -1.96777e+06    2.49592e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.07003e+02    4.14320e+01    5.80806e-06


DD  step 234459999 load imb.: force 15.4%  pme mesh/force 0.748
           Step           Time
      234460000   468920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84419e+03    1.95404e+04    1.31798e+04    1.21063e+03   -3.03182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89969e+03    9.32775e+04    3.99103e+05   -2.33958e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64806e+04   -2.44473e+06    4.79995e+05   -1.96473e+06    2.49598e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.07456e+02    4.00321e+01    5.83703e-06


DD  step 234464999 load imb.: force 15.5%  pme mesh/force 0.769
           Step           Time
      234465000   468930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07868e+03    1.96495e+04    1.30399e+04    1.24243e+03   -3.09806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83781e+03    9.26551e+04    4.00626e+05   -2.33358e+04   -2.97406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66266e+04   -2.44373e+06    4.81431e+05   -1.96230e+06    2.49603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12120e+02   -2.06395e+02    2.72516e+01    5.97398e-06


DD  step 234469999 load imb.: force 17.9%  pme mesh/force 0.767
           Step           Time
      234470000   468940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84522e+03    1.94493e+04    1.29948e+04    1.19392e+03   -3.18930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96965e+03    9.28893e+04    4.00568e+05   -2.34388e+04   -2.98257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63643e+04   -2.45293e+06    4.80955e+05   -1.97197e+06    2.49609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11811e+02   -2.08220e+02    9.77055e+00    5.86550e-06

Writing checkpoint, step 234471450 at Wed Nov  8 06:16:28 2023



DD  step 234474999 load imb.: force 15.4%  pme mesh/force 0.765
           Step           Time
      234475000   468950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93694e+03    1.91419e+04    1.29897e+04    1.20296e+03   -3.08527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83089e+03    9.32231e+04    4.01174e+05   -2.33753e+04   -2.97923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64319e+04   -2.44875e+06    4.81701e+05   -1.96705e+06    2.49615e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12295e+02   -2.07094e+02   -1.13406e+01    5.76143e-06


DD  step 234479999 load imb.: force 15.6%  pme mesh/force 0.732
           Step           Time
      234480000   468960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94126e+03    1.97017e+04    1.33090e+04    1.20115e+03   -3.12304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87124e+03    9.27796e+04    3.99758e+05   -2.33774e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65768e+04   -2.44559e+06    4.79131e+05   -1.96646e+06    2.49621e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10629e+02   -2.07130e+02   -3.27733e+01    5.84815e-06


DD  step 234484999 load imb.: force 16.8%  pme mesh/force 0.768
           Step           Time
      234485000   468970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88188e+03    1.94890e+04    1.30094e+04    1.11627e+03   -3.02915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80740e+03    9.29385e+04    4.03868e+05   -2.33597e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66962e+04   -2.44470e+06    4.80452e+05   -1.96425e+06    2.49626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11485e+02   -2.06817e+02    3.14452e+01    5.83925e-06


DD  step 234489999 load imb.: force 15.0%  pme mesh/force 0.742
           Step           Time
      234490000   468980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12708e+03    1.93404e+04    1.32377e+04    1.10714e+03   -3.14691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79747e+03    9.31201e+04    4.03312e+05   -2.33665e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64992e+04   -2.44688e+06    4.80269e+05   -1.96661e+06    2.49632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11367e+02   -2.06937e+02    1.19862e+02    5.94551e-06


DD  step 234494999 load imb.: force 15.5%  pme mesh/force 0.733
           Step           Time
      234495000   468990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87619e+03    1.90970e+04    1.31899e+04    1.13894e+03   -3.14838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92495e+03    9.25244e+04    3.98516e+05   -2.33697e+04   -2.97681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64413e+04   -2.44962e+06    4.78189e+05   -1.97143e+06    2.49638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10019e+02   -2.06995e+02   -6.76513e+01    5.82435e-06


DD  step 234499999 load imb.: force 14.4%  pme mesh/force 0.712
           Step           Time
      234500000   469000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10729e+03    1.97730e+04    1.31693e+04    1.18074e+03   -3.14625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86985e+03    9.28569e+04    4.01584e+05   -2.34163e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66682e+04   -2.44486e+06    4.79703e+05   -1.96516e+06    2.49644e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11000e+02   -2.07820e+02    3.90058e+01    5.91839e-06


DD  step 234504999 load imb.: force 15.9%  pme mesh/force 0.711
           Step           Time
      234505000   469010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97502e+03    1.95733e+04    1.30991e+04    1.12343e+03   -3.15971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77029e+03    9.25728e+04    3.98993e+05   -2.34043e+04   -2.97367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66111e+04   -2.44552e+06    4.78918e+05   -1.96660e+06    2.49650e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.07607e+02   -2.27858e+01    6.06339e-06


DD  step 234509999 load imb.: force 15.3%  pme mesh/force 0.751
           Step           Time
      234510000   469020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28583e+03    1.91155e+04    1.31099e+04    1.10547e+03   -3.09450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74674e+03    9.26925e+04    4.02719e+05   -2.34204e+04   -2.98305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65110e+04   -2.45128e+06    4.79661e+05   -1.97162e+06    2.49655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10973e+02   -2.07893e+02   -1.07750e+01    5.83072e-06


DD  step 234514999 load imb.: force 18.0%  pme mesh/force 0.795
           Step           Time
      234515000   469030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25564e+03    1.94967e+04    1.32375e+04    1.22915e+03   -3.20829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73924e+03    9.30219e+04    4.01264e+05   -2.33777e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67432e+04   -2.44487e+06    4.80964e+05   -1.96391e+06    2.49661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.07137e+02    2.63292e+00    5.85142e-06


DD  step 234519999 load imb.: force 16.8%  pme mesh/force 0.770
           Step           Time
      234520000   469040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85043e+03    1.92993e+04    1.31584e+04    1.17111e+03   -3.14211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00134e+03    9.33128e+04    4.01147e+05   -2.33994e+04   -2.97900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65146e+04   -2.44809e+06    4.78748e+05   -1.96934e+06    2.49667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.07520e+02    7.32723e+01    5.75978e-06


DD  step 234524999 load imb.: force 14.7%  pme mesh/force 0.749
           Step           Time
      234525000   469050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98419e+03    1.94966e+04    1.33233e+04    1.19074e+03   -3.16213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79853e+03    9.34391e+04    3.97734e+05   -2.33508e+04   -2.97357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63949e+04   -2.44572e+06    4.80440e+05   -1.96528e+06    2.49673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.06660e+02   -7.77998e+01    5.73889e-06


DD  step 234529999 load imb.: force 16.5%  pme mesh/force 0.747
           Step           Time
      234530000   469060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12495e+03    1.93213e+04    1.30069e+04    1.18497e+03   -3.03445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85236e+03    9.33483e+04    4.01266e+05   -2.33654e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66376e+04   -2.44375e+06    4.79677e+05   -1.96408e+06    2.49678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10983e+02   -2.06918e+02    5.76909e+01    5.56166e-06


DD  step 234534999 load imb.: force 16.1%  pme mesh/force 0.766
           Step           Time
      234535000   469070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32184e+03    1.93278e+04    1.30546e+04    1.10398e+03   -3.15933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61575e+03    9.31976e+04    4.00589e+05   -2.33990e+04   -2.97922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65820e+04   -2.44898e+06    4.77850e+05   -1.97113e+06    2.49684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09799e+02   -2.07514e+02   -5.24719e+01    5.62907e-06


DD  step 234539999 load imb.: force 17.4%  pme mesh/force 0.758
           Step           Time
      234540000   469080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09078e+03    1.90957e+04    1.29366e+04    1.18189e+03   -3.02447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75526e+03    9.34098e+04    3.99134e+05   -2.33645e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65085e+04   -2.44657e+06    4.80780e+05   -1.96579e+06    2.49690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11698e+02   -2.06903e+02   -6.20621e+01    5.70378e-06


DD  step 234544999 load imb.: force 15.8%  pme mesh/force 0.757
           Step           Time
      234545000   469090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04216e+03    1.93182e+04    1.30178e+04    1.21980e+03   -3.08470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81586e+03    9.33197e+04    4.01661e+05   -2.33601e+04   -2.98065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64535e+04   -2.44924e+06    4.77867e+05   -1.97138e+06    2.49696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.06825e+02    3.18589e+01    5.70006e-06


DD  step 234549999 load imb.: force 15.6%  pme mesh/force 0.789
           Step           Time
      234550000   469100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13247e+03    1.93779e+04    1.32160e+04    1.19104e+03   -3.04465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80613e+03    9.34976e+04    4.04072e+05   -2.34255e+04   -2.98272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65179e+04   -2.44838e+06    4.78428e+05   -1.96996e+06    2.49701e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10174e+02   -2.07983e+02    1.19988e+02    5.61036e-06


DD  step 234554999 load imb.: force 17.5%  pme mesh/force 0.776
           Step           Time
      234555000   469110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23124e+03    1.95683e+04    1.31889e+04    1.27751e+03   -3.05990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67972e+03    9.28880e+04    4.00278e+05   -2.33785e+04   -2.97548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65793e+04   -2.44522e+06    4.77726e+05   -1.96750e+06    2.49707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09718e+02   -2.07150e+02   -3.92695e+01    5.71729e-06


DD  step 234559999 load imb.: force 17.1%  pme mesh/force 0.748
           Step           Time
      234560000   469120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05699e+03    1.94772e+04    1.32213e+04    1.15777e+03   -3.00564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79921e+03    9.29990e+04    4.01547e+05   -2.33494e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65102e+04   -2.44747e+06    4.77497e+05   -1.96997e+06    2.49713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09570e+02   -2.06635e+02    4.16603e+00    5.71022e-06


DD  step 234564999 load imb.: force 17.7%  pme mesh/force 0.766
           Step           Time
      234565000   469130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11768e+03    1.92457e+04    1.30553e+04    1.13448e+03   -3.15476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82924e+03    9.28156e+04    3.98643e+05   -2.33509e+04   -2.97243e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65401e+04   -2.44456e+06    4.77195e+05   -1.96736e+06    2.49718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09374e+02   -2.06662e+02   -4.73892e+01    5.70014e-06


DD  step 234569999 load imb.: force 17.8%  pme mesh/force 0.720
           Step           Time
      234570000   469140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91203e+03    1.94558e+04    1.31667e+04    1.17074e+03   -3.02174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79413e+03    9.35906e+04    3.99097e+05   -2.33857e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64825e+04   -2.44716e+06    4.80774e+05   -1.96638e+06    2.49724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11695e+02   -2.07278e+02   -2.45582e+01    5.79634e-06


DD  step 234574999 load imb.: force 15.1%  pme mesh/force 0.761
           Step           Time
      234575000   469150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98375e+03    1.92367e+04    1.28562e+04    1.20047e+03   -3.08764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80311e+03    9.38342e+04    4.01694e+05   -2.33999e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66079e+04   -2.44587e+06    4.79426e+05   -1.96644e+06    2.49730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10821e+02   -2.07530e+02    9.93362e+01    5.64744e-06


DD  step 234579999 load imb.: force 16.4%  pme mesh/force 0.743
           Step           Time
      234580000   469160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16942e+03    1.93018e+04    1.29178e+04    1.12293e+03   -3.09878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88697e+03    9.37433e+04    4.04258e+05   -2.34374e+04   -2.98248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63419e+04   -2.44828e+06    4.79385e+05   -1.96889e+06    2.49736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10794e+02   -2.08194e+02    1.43715e+02    5.80382e-06


DD  step 234584999 load imb.: force 15.6%  pme mesh/force 0.740
           Step           Time
      234585000   469170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29018e+03    1.94773e+04    1.29572e+04    1.17389e+03   -3.08655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76646e+03    9.30730e+04    4.01025e+05   -2.33758e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66470e+04   -2.44632e+06    4.79472e+05   -1.96685e+06    2.49742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10850e+02   -2.07102e+02    1.69358e+01    5.86950e-06


DD  step 234589999 load imb.: force 16.7%  pme mesh/force 0.787
           Step           Time
      234590000   469180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94378e+03    1.91467e+04    1.32280e+04    1.13699e+03   -3.12533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93419e+03    9.38168e+04    4.01668e+05   -2.33668e+04   -2.98118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64940e+04   -2.44930e+06    4.80328e+05   -1.96897e+06    2.49747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11405e+02   -2.06944e+02    3.42910e+01    5.89938e-06


DD  step 234594999 load imb.: force 15.6%  pme mesh/force 0.749
           Step           Time
      234595000   469190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26704e+03    1.90217e+04    1.31472e+04    1.15279e+03   -3.16243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87123e+03    9.34849e+04    4.01295e+05   -2.33896e+04   -2.97939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62998e+04   -2.44841e+06    4.79742e+05   -1.96866e+06    2.49753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11025e+02   -2.07346e+02    2.49781e+01    5.86709e-06


DD  step 234599999 load imb.: force 17.0%  pme mesh/force 0.770
           Step           Time
      234600000   469200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06996e+03    1.91328e+04    1.30430e+04    1.17862e+03   -3.17212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86629e+03    9.33667e+04    3.99863e+05   -2.33464e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.44679e+06    4.80138e+05   -1.96666e+06    2.49759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11282e+02   -2.06582e+02   -5.58971e+01    5.76708e-06


DD  step 234604999 load imb.: force 17.1%  pme mesh/force 0.778
           Step           Time
      234605000   469210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02021e+03    1.94946e+04    1.30088e+04    1.16869e+03   -3.05670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95519e+03    9.28772e+04    3.98898e+05   -2.33760e+04   -2.97167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67398e+04   -2.44294e+06    4.77193e+05   -1.96575e+06    2.49765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09373e+02   -2.07106e+02    1.19509e+01    5.70768e-06


DD  step 234609999 load imb.: force 17.7%  pme mesh/force 0.745
           Step           Time
      234610000   469220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09499e+03    1.95668e+04    1.32149e+04    1.18168e+03   -3.17896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88324e+03    9.28894e+04    4.00677e+05   -2.33803e+04   -2.97717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64700e+04   -2.44675e+06    4.80352e+05   -1.96640e+06    2.49770e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11421e+02   -2.07182e+02   -1.32161e+01    5.76930e-06


DD  step 234614999 load imb.: force 15.7%  pme mesh/force 0.774
           Step           Time
      234615000   469230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12156e+03    1.94224e+04    1.31300e+04    1.21569e+03   -3.18235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83954e+03    9.27586e+04    3.99374e+05   -2.33390e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67036e+04   -2.44617e+06    4.80101e+05   -1.96607e+06    2.49776e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11258e+02   -2.06451e+02   -3.27622e+01    5.87677e-06


DD  step 234619999 load imb.: force 16.9%  pme mesh/force 0.801
           Step           Time
      234620000   469240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04284e+03    1.96936e+04    1.32639e+04    1.26080e+03   -3.09259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80884e+03    9.27207e+04    3.99402e+05   -2.33872e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64817e+04   -2.44544e+06    4.80393e+05   -1.96505e+06    2.49782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11448e+02   -2.07304e+02   -6.18690e+01    5.74657e-06


DD  step 234624999 load imb.: force 15.8%  pme mesh/force 0.744
           Step           Time
      234625000   469250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06893e+03    1.97750e+04    1.30125e+04    1.18503e+03   -3.10960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77674e+03    9.31026e+04    3.99164e+05   -2.34033e+04   -2.97301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65025e+04   -2.44393e+06    4.79809e+05   -1.96412e+06    2.49788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.07590e+02    1.14096e+01    5.92012e-06


DD  step 234629999 load imb.: force 14.6%  pme mesh/force 0.742
           Step           Time
      234630000   469260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06115e+03    1.97065e+04    1.30053e+04    1.16843e+03   -3.12653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91249e+03    9.30305e+04    3.98438e+05   -2.33816e+04   -2.97323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66164e+04   -2.44480e+06    4.80109e+05   -1.96469e+06    2.49794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.07205e+02   -5.90306e+01    6.02344e-06


DD  step 234634999 load imb.: force 14.8%  pme mesh/force 0.701
           Step           Time
      234635000   469270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94424e+03    1.91807e+04    1.30951e+04    1.22141e+03   -3.04470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96577e+03    9.33115e+04    3.99815e+05   -2.34089e+04   -2.97731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65936e+04   -2.44764e+06    4.80258e+05   -1.96738e+06    2.49799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.07689e+02    3.86514e+01    5.88357e-06


DD  step 234639999 load imb.: force 16.7%  pme mesh/force 0.765
           Step           Time
      234640000   469280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09274e+03    1.97129e+04    1.31728e+04    1.16834e+03   -3.14328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91501e+03    9.31192e+04    3.97781e+05   -2.33832e+04   -2.97374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65801e+04   -2.44572e+06    4.80310e+05   -1.96541e+06    2.49805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11394e+02   -2.07234e+02   -4.83875e+01    5.72045e-06


DD  step 234644999 load imb.: force 16.7%  pme mesh/force 0.775
           Step           Time
      234645000   469290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75365e+03    1.93601e+04    1.31904e+04    1.33048e+03   -3.14054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87067e+03    9.32822e+04    3.97721e+05   -2.33818e+04   -2.97306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65528e+04   -2.44552e+06    4.80350e+05   -1.96517e+06    2.49811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11419e+02   -2.07208e+02   -6.74005e+01    6.05447e-06


DD  step 234649999 load imb.: force 15.9%  pme mesh/force 0.771
           Step           Time
      234650000   469300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81469e+03    1.93172e+04    1.29620e+04    1.17562e+03   -3.10546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99346e+03    9.37090e+04    4.01050e+05   -2.34462e+04   -2.98103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.60515e+04   -2.45051e+06    4.80277e+05   -1.97023e+06    2.49817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.08350e+02    7.34068e+01    5.88520e-06


DD  step 234654999 load imb.: force 15.2%  pme mesh/force 0.757
           Step           Time
      234655000   469310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84726e+03    1.90177e+04    1.32813e+04    1.21368e+03   -2.98694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87066e+03    9.40485e+04    4.01534e+05   -2.33956e+04   -2.98122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65695e+04   -2.44922e+06    4.78015e+05   -1.97121e+06    2.49824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09906e+02   -2.07453e+02    3.55742e+01    5.65122e-06


DD  step 234659999 load imb.: force 16.1%  pme mesh/force 0.746
           Step           Time
      234660000   469320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13248e+03    2.00534e+04    1.31615e+04    1.16012e+03   -3.07018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.59868e+03    9.29796e+04    4.02117e+05   -2.33939e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65157e+04   -2.44551e+06    4.78710e+05   -1.96680e+06    2.49829e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10356e+02   -2.07422e+02    2.49164e+01    5.73511e-06


DD  step 234664999 load imb.: force 15.8%  pme mesh/force 0.756
           Step           Time
      234665000   469330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04149e+03    1.92641e+04    1.30954e+04    1.14638e+03   -3.08669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92891e+03    9.36214e+04    4.01187e+05   -2.33920e+04   -2.98005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64215e+04   -2.44882e+06    4.80352e+05   -1.96847e+06    2.49835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11421e+02   -2.07389e+02   -1.90087e+01    5.77003e-06


DD  step 234669999 load imb.: force 18.5%  pme mesh/force 0.771
           Step           Time
      234670000   469340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92740e+03    1.97656e+04    1.30334e+04    1.16316e+03   -2.96041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82943e+03    9.32214e+04    4.01246e+05   -2.33648e+04   -2.98030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66005e+04   -2.44884e+06    4.79657e+05   -1.96918e+06    2.49840e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10970e+02   -2.06907e+02   -1.09139e+01    5.77806e-06


DD  step 234674999 load imb.: force 14.1%  pme mesh/force 0.741
           Step           Time
      234675000   469350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88983e+03    1.96746e+04    1.30565e+04    1.15830e+03   -3.06478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85642e+03    9.27062e+04    4.00355e+05   -2.33960e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66691e+04   -2.44564e+06    4.78176e+05   -1.96747e+06    2.49846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10010e+02   -2.07460e+02   -7.94218e+00    5.69327e-06


DD  step 234679999 load imb.: force 17.5%  pme mesh/force 0.784
           Step           Time
      234680000   469360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06659e+03    2.01394e+04    1.31451e+04    1.16666e+03   -3.05244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77859e+03    9.28572e+04    4.00823e+05   -2.33356e+04   -2.97482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66308e+04   -2.44360e+06    4.80812e+05   -1.96279e+06    2.49852e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11719e+02   -2.06391e+02    3.06091e+01    5.70422e-06


DD  step 234684999 load imb.: force 15.8%  pme mesh/force 0.720
           Step           Time
      234685000   469370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03472e+03    1.96907e+04    1.29384e+04    1.14647e+03   -3.09271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87814e+03    9.28388e+04    4.02415e+05   -2.33883e+04   -2.98167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64204e+04   -2.44979e+06    4.79790e+05   -1.97000e+06    2.49858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.07323e+02    2.28011e+01    5.61902e-06


DD  step 234689999 load imb.: force 17.2%  pme mesh/force 0.719
           Step           Time
      234690000   469380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92108e+03    1.95851e+04    1.28872e+04    1.20424e+03   -3.13433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95608e+03    9.25141e+04    3.99320e+05   -2.34064e+04   -2.97416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64703e+04   -2.44585e+06    4.80079e+05   -1.96577e+06    2.49864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11244e+02   -2.07645e+02    4.07478e+01    5.48590e-06


DD  step 234694999 load imb.: force 16.0%  pme mesh/force 0.742
           Step           Time
      234695000   469390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81209e+03    1.92480e+04    1.30381e+04    1.09827e+03   -3.12287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81394e+03    9.38201e+04    4.01722e+05   -2.34080e+04   -2.98145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64373e+04   -2.45000e+06    4.78569e+05   -1.97143e+06    2.49869e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10265e+02   -2.07672e+02    4.53544e+01    5.89343e-06


DD  step 234699999 load imb.: force 17.9%  pme mesh/force 0.744
           Step           Time
      234700000   469400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12857e+03    1.93482e+04    1.31843e+04    1.28440e+03   -3.14978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86810e+03    9.32201e+04    3.98060e+05   -2.33657e+04   -2.97404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67145e+04   -2.44575e+06    4.80986e+05   -1.96476e+06    2.49875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11832e+02   -2.06924e+02   -8.34153e+01    5.55896e-06


DD  step 234704999 load imb.: force 17.3%  pme mesh/force 0.768
           Step           Time
      234705000   469410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96818e+03    1.96354e+04    1.30533e+04    1.13471e+03   -3.17595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76279e+03    9.30160e+04    4.01216e+05   -2.33533e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63132e+04   -2.44615e+06    4.79162e+05   -1.96699e+06    2.49881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10649e+02   -2.06705e+02    2.14641e+01    5.57096e-06


DD  step 234709999 load imb.: force 16.8%  pme mesh/force 0.755
           Step           Time
      234710000   469420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09247e+03    1.95832e+04    1.30209e+04    1.21068e+03   -3.15625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95236e+03    9.27514e+04    4.00376e+05   -2.33514e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62575e+04   -2.44515e+06    4.80723e+05   -1.96443e+06    2.49887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11661e+02   -2.06671e+02   -1.87426e+01    5.55736e-06


DD  step 234714999 load imb.: force 16.6%  pme mesh/force 0.753
           Step           Time
      234715000   469430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11188e+03    1.96501e+04    1.30528e+04    1.20620e+03   -3.11354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74691e+03    9.28357e+04    3.98380e+05   -2.33530e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66993e+04   -2.44687e+06    4.78018e+05   -1.96886e+06    2.49893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09908e+02   -2.06700e+02   -1.07138e+02    5.77185e-06


DD  step 234719999 load imb.: force 18.2%  pme mesh/force 0.761
           Step           Time
      234720000   469440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20775e+03    1.94774e+04    1.32328e+04    1.10556e+03   -3.08619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90879e+03    9.28299e+04    3.96720e+05   -2.33297e+04   -2.96960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65750e+04   -2.44296e+06    4.80311e+05   -1.96265e+06    2.49898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11394e+02   -2.06288e+02   -9.89159e+01    5.71173e-06


DD  step 234724999 load imb.: force 17.6%  pme mesh/force 0.760
           Step           Time
      234725000   469450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12986e+03    1.95988e+04    1.32594e+04    1.20873e+03   -3.15508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83519e+03    9.28470e+04    3.98844e+05   -2.34097e+04   -2.97284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66139e+04   -2.44406e+06    4.79271e+05   -1.96479e+06    2.49904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10720e+02   -2.07703e+02   -2.86318e+01    5.71661e-06


DD  step 234729999 load imb.: force 16.8%  pme mesh/force 0.767
           Step           Time
      234730000   469460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20590e+03    1.98786e+04    1.31041e+04    1.16232e+03   -3.19288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83837e+03    9.28520e+04    3.99061e+05   -2.33342e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64413e+04   -2.44649e+06    4.81164e+05   -1.96532e+06    2.49909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11947e+02   -2.06366e+02   -4.76174e+01    5.64911e-06


DD  step 234734999 load imb.: force 16.4%  pme mesh/force 0.712
           Step           Time
      234735000   469470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93872e+03    1.92762e+04    1.30591e+04    1.11642e+03   -3.03503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78960e+03    9.31746e+04    4.00474e+05   -2.34172e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64959e+04   -2.44859e+06    4.80044e+05   -1.96855e+06    2.49915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11221e+02   -2.07836e+02    3.12356e+01    5.62824e-06


DD  step 234739999 load imb.: force 15.9%  pme mesh/force 0.729
           Step           Time
      234740000   469480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87521e+03    1.95189e+04    1.29501e+04    1.22018e+03   -3.02382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85264e+03    9.31855e+04    4.00388e+05   -2.34276e+04   -2.97999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64552e+04   -2.44999e+06    4.79994e+05   -1.97000e+06    2.49921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.08020e+02   -5.86674e+01    5.64055e-06


DD  step 234744999 load imb.: force 15.9%  pme mesh/force 0.752
           Step           Time
      234745000   469490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99400e+03    1.92765e+04    1.28696e+04    1.20048e+03   -2.95732e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98229e+03    9.32581e+04    4.00248e+05   -2.33882e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63546e+04   -2.44560e+06    4.78650e+05   -1.96695e+06    2.49927e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.07322e+02    5.09837e+01    5.53546e-06


DD  step 234749999 load imb.: force 17.5%  pme mesh/force 0.759
           Step           Time
      234750000   469500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92905e+03    1.93858e+04    1.31907e+04    1.15935e+03   -3.04766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89395e+03    9.34819e+04    4.03575e+05   -2.33706e+04   -2.98008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65283e+04   -2.44636e+06    4.79362e+05   -1.96699e+06    2.49933e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10779e+02   -2.07010e+02    6.83934e+01    5.58679e-06


DD  step 234754999 load imb.: force 17.5%  pme mesh/force 0.767
           Step           Time
      234755000   469510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99990e+03    1.93784e+04    1.30633e+04    1.19067e+03   -3.13725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85532e+03    9.32187e+04    4.00141e+05   -2.34038e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64005e+04   -2.44623e+06    4.79680e+05   -1.96655e+06    2.49938e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10985e+02   -2.07599e+02   -7.66904e+00    5.51871e-06


DD  step 234759999 load imb.: force 17.0%  pme mesh/force 0.728
           Step           Time
      234760000   469520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94909e+03    1.95769e+04    1.30259e+04    1.17605e+03   -3.03230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74095e+03    9.32171e+04    4.03992e+05   -2.33824e+04   -2.98103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66703e+04   -2.44710e+06    4.78642e+05   -1.96846e+06    2.49944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.07220e+02    1.20942e+02    5.42726e-06


DD  step 234764999 load imb.: force 18.9%  pme mesh/force 0.732
           Step           Time
      234765000   469530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12052e+03    1.95785e+04    1.30861e+04    1.22920e+03   -3.07992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82825e+03    9.30371e+04    3.99318e+05   -2.33695e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67830e+04   -2.44534e+06    4.80408e+05   -1.96493e+06    2.49950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11457e+02   -2.06991e+02   -4.28146e-01    5.61146e-06


DD  step 234769999 load imb.: force 18.5%  pme mesh/force 0.730
           Step           Time
      234770000   469540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97800e+03    1.96993e+04    1.30883e+04    1.19229e+03   -3.01388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87178e+03    9.28165e+04    4.01512e+05   -2.33739e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66298e+04   -2.44575e+06    4.80222e+05   -1.96553e+06    2.49956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.07069e+02    6.64993e+01    5.59175e-06


DD  step 234774999 load imb.: force 17.5%  pme mesh/force 0.752
           Step           Time
      234775000   469550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83221e+03    1.92692e+04    1.30558e+04    1.21598e+03   -3.15709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87530e+03    9.34182e+04    4.00615e+05   -2.33838e+04   -2.98041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65234e+04   -2.45015e+06    4.80443e+05   -1.96970e+06    2.49962e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11480e+02   -2.07243e+02   -2.32002e+00    5.53554e-06


DD  step 234779999 load imb.: force 17.7%  pme mesh/force 0.728
           Step           Time
      234780000   469560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15663e+03    1.94540e+04    1.29612e+04    1.19021e+03   -3.09234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96776e+03    9.31869e+04    4.02302e+05   -2.34584e+04   -2.98043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65993e+04   -2.44816e+06    4.79258e+05   -1.96890e+06    2.49968e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10712e+02   -2.08567e+02    1.23365e+02    5.53335e-06


DD  step 234784999 load imb.: force 18.8%  pme mesh/force 0.783
           Step           Time
      234785000   469570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83643e+03    1.94605e+04    1.30642e+04    1.09795e+03   -3.16173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92789e+03    9.31902e+04    4.00275e+05   -2.34029e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63781e+04   -2.44722e+06    4.79688e+05   -1.96753e+06    2.49973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.07583e+02    7.61208e+01    5.62113e-06


DD  step 234789999 load imb.: force 17.4%  pme mesh/force 0.758
           Step           Time
      234790000   469580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88648e+03    1.94213e+04    1.31108e+04    1.22089e+03   -2.93797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86792e+03    9.31755e+04    4.02299e+05   -2.33833e+04   -2.98078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64963e+04   -2.44862e+06    4.79812e+05   -1.96881e+06    2.49979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11071e+02   -2.07236e+02    8.35840e+01    5.79170e-06


DD  step 234794999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      234795000   469590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03168e+03    1.96002e+04    1.30137e+04    1.19641e+03   -3.07330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72164e+03    9.28243e+04    4.03333e+05   -2.33873e+04   -2.98209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65027e+04   -2.44932e+06    4.79486e+05   -1.96984e+06    2.49985e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.07307e+02    2.66808e+01    5.74608e-06


DD  step 234799999 load imb.: force 18.1%  pme mesh/force 0.720
           Step           Time
      234800000   469600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15774e+03    1.89882e+04    1.32675e+04    1.29372e+03   -3.04614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87797e+03    9.31566e+04    4.02059e+05   -2.34303e+04   -2.97989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64669e+04   -2.44809e+06    4.79580e+05   -1.96851e+06    2.49990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.08069e+02    7.70293e+01    5.56064e-06

Writing checkpoint, step 234800350 at Wed Nov  8 06:31:28 2023



DD  step 234804999 load imb.: force 16.5%  pme mesh/force 0.751
           Step           Time
      234805000   469610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98593e+03    1.93475e+04    1.30488e+04    1.17939e+03   -3.02298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79790e+03    9.28087e+04    3.98107e+05   -2.33878e+04   -2.97147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63300e+04   -2.44428e+06    4.79791e+05   -1.96449e+06    2.49996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11057e+02   -2.07315e+02   -2.02653e+01    5.66155e-06


DD  step 234809999 load imb.: force 18.2%  pme mesh/force 0.744
           Step           Time
      234810000   469620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18564e+03    1.96100e+04    1.32268e+04    1.17122e+03   -3.01288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84900e+03    9.28584e+04    4.00358e+05   -2.33324e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63497e+04   -2.44653e+06    4.79549e+05   -1.96698e+06    2.50002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10900e+02   -2.06335e+02   -2.19142e+01    5.54674e-06


DD  step 234814999 load imb.: force 18.7%  pme mesh/force 0.753
           Step           Time
      234815000   469630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92275e+03    1.93250e+04    1.31029e+04    1.13549e+03   -3.00685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85898e+03    9.24403e+04    3.97272e+05   -2.33782e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64577e+04   -2.44756e+06    4.78253e+05   -1.96931e+06    2.50008e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10060e+02   -2.07145e+02   -1.00081e+02    5.45253e-06


DD  step 234819999 load imb.: force 17.5%  pme mesh/force 0.732
           Step           Time
      234820000   469640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10480e+03    1.94953e+04    1.31199e+04    1.11787e+03   -3.08419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84168e+03    9.25185e+04    3.96338e+05   -2.33743e+04   -2.97170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62844e+04   -2.44634e+06    4.79268e+05   -1.96707e+06    2.50014e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10718e+02   -2.07077e+02   -1.02670e+02    5.81382e-06


DD  step 234824999 load imb.: force 16.0%  pme mesh/force 0.746
           Step           Time
      234825000   469650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01747e+03    1.90962e+04    1.32825e+04    1.19746e+03   -3.13430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74443e+03    9.24236e+04    4.02724e+05   -2.34065e+04   -2.98225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66756e+04   -2.45063e+06    4.79643e+05   -1.97099e+06    2.50020e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10961e+02   -2.07647e+02    3.63670e+01    5.86972e-06


DD  step 234829999 load imb.: force 16.1%  pme mesh/force 0.731
           Step           Time
      234830000   469660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33436e+03    1.92165e+04    1.30612e+04    1.19085e+03   -3.03705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72037e+03    9.29795e+04    4.00969e+05   -2.34062e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64376e+04   -2.44784e+06    4.78866e+05   -1.96897e+06    2.50026e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10457e+02   -2.07641e+02   -4.65469e-01    5.72948e-06


DD  step 234834999 load imb.: force 16.1%  pme mesh/force 0.740
           Step           Time
      234835000   469670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82364e+03    1.93106e+04    1.30820e+04    1.27073e+03   -3.06709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80013e+03    9.27950e+04    3.97908e+05   -2.33350e+04   -2.97206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65430e+04   -2.44493e+06    4.77877e+05   -1.96705e+06    2.50032e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09816e+02   -2.06381e+02   -5.82522e+01    5.63168e-06


DD  step 234839999 load imb.: force 15.4%  pme mesh/force 0.756
           Step           Time
      234840000   469680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89218e+03    1.92922e+04    1.31815e+04    1.21377e+03   -3.07348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89077e+03    9.31597e+04    4.00911e+05   -2.34368e+04   -2.98125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63567e+04   -2.45086e+06    4.79797e+05   -1.97106e+06    2.50038e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.08184e+02    2.94638e+01    5.67323e-06


DD  step 234844999 load imb.: force 18.3%  pme mesh/force 0.757
           Step           Time
      234845000   469690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99499e+03    1.93369e+04    1.30782e+04    1.25541e+03   -3.08656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70009e+03    9.31879e+04    4.01493e+05   -2.34021e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65541e+04   -2.44971e+06    4.80710e+05   -1.96900e+06    2.50043e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11653e+02   -2.07569e+02   -2.53262e+01    5.60705e-06


DD  step 234849999 load imb.: force 18.2%  pme mesh/force 0.774
           Step           Time
      234850000   469700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83994e+03    1.91283e+04    1.31819e+04    1.13273e+03   -3.20551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98242e+03    9.40374e+04    4.00614e+05   -2.33482e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64480e+04   -2.44768e+06    4.77843e+05   -1.96984e+06    2.50049e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09794e+02   -2.06615e+02   -1.81404e+01    5.77128e-06


DD  step 234854999 load imb.: force 15.8%  pme mesh/force 0.755
           Step           Time
      234855000   469710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92276e+03    1.97295e+04    1.31503e+04    1.18218e+03   -3.11202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79863e+03    9.33197e+04    4.01617e+05   -2.34376e+04   -2.97857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63534e+04   -2.44705e+06    4.78994e+05   -1.96806e+06    2.50055e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10540e+02   -2.08197e+02    8.98493e+01    5.60190e-06


DD  step 234859999 load imb.: force 20.0%  pme mesh/force 0.774
           Step           Time
      234860000   469720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92562e+03    1.92302e+04    1.30955e+04    1.13782e+03   -3.12326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77050e+03    9.34446e+04    4.00688e+05   -2.33902e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65766e+04   -2.44502e+06    4.81299e+05   -1.96372e+06    2.50061e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12035e+02   -2.07358e+02    4.86945e+01    5.74705e-06


DD  step 234864999 load imb.: force 17.2%  pme mesh/force 0.746
           Step           Time
      234865000   469730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11585e+03    1.95312e+04    1.33202e+04    1.26722e+03   -3.04828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88820e+03    9.33702e+04    4.02120e+05   -2.33710e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66049e+04   -2.44370e+06    4.79099e+05   -1.96460e+06    2.50066e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10609e+02   -2.07018e+02    4.75540e+01    5.77084e-06


DD  step 234869999 load imb.: force 17.6%  pme mesh/force 0.749
           Step           Time
      234870000   469740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15075e+03    1.92652e+04    1.30390e+04    1.10974e+03   -3.06226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83037e+03    9.31542e+04    4.01950e+05   -2.34102e+04   -2.98014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65006e+04   -2.44861e+06    4.79005e+05   -1.96961e+06    2.50072e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10547e+02   -2.07712e+02    2.64415e+01    5.61326e-06


DD  step 234874999 load imb.: force 18.4%  pme mesh/force 0.718
           Step           Time
      234875000   469750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97876e+03    1.94410e+04    1.31710e+04    1.19552e+03   -3.13388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83630e+03    9.32668e+04    4.01929e+05   -2.34288e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64968e+04   -2.44507e+06    4.78892e+05   -1.96618e+06    2.50078e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10474e+02   -2.08042e+02    1.26866e+02    5.75767e-06


DD  step 234879999 load imb.: force 18.2%  pme mesh/force 0.759
           Step           Time
      234880000   469760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91300e+03    1.90800e+04    1.31315e+04    1.23797e+03   -3.12836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87615e+03    9.35490e+04    4.01850e+05   -2.34127e+04   -2.97876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64318e+04   -2.44723e+06    4.79389e+05   -1.96784e+06    2.50083e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10796e+02   -2.07757e+02    6.52132e+01    5.61442e-06


DD  step 234884999 load imb.: force 17.0%  pme mesh/force 0.769
           Step           Time
      234885000   469770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99862e+03    1.96908e+04    1.30391e+04    1.22243e+03   -3.10843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86608e+03    9.34799e+04    3.97480e+05   -2.33831e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65065e+04   -2.44808e+06    4.80393e+05   -1.96769e+06    2.50090e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11448e+02   -2.07232e+02   -7.57348e+01    5.63378e-06


DD  step 234889999 load imb.: force 16.9%  pme mesh/force 0.756
           Step           Time
      234890000   469780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03053e+03    1.92290e+04    1.32120e+04    1.15672e+03   -3.08367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82880e+03    9.34947e+04    3.95338e+05   -2.33475e+04   -2.96817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66182e+04   -2.44269e+06    4.80084e+05   -1.96261e+06    2.50095e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11247e+02   -2.06602e+02   -9.71798e+01    5.61491e-06


DD  step 234894999 load imb.: force 17.2%  pme mesh/force 0.776
           Step           Time
      234895000   469790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97851e+03    1.93189e+04    1.30319e+04    1.21275e+03   -3.19687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75207e+03    9.37138e+04    4.01905e+05   -2.34362e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64805e+04   -2.44836e+06    4.77996e+05   -1.97037e+06    2.50101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09893e+02   -2.08173e+02    7.29621e+01    5.43464e-06


DD  step 234899999 load imb.: force 17.3%  pme mesh/force 0.763
           Step           Time
      234900000   469800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94521e+03    1.95097e+04    1.32566e+04    1.21464e+03   -3.24404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87576e+03    9.35876e+04    4.02456e+05   -2.33850e+04   -2.97875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65963e+04   -2.44594e+06    4.80222e+05   -1.96571e+06    2.50107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11336e+02   -2.07265e+02    5.84095e+01    5.84358e-06


DD  step 234904999 load imb.: force 17.4%  pme mesh/force 0.728
           Step           Time
      234905000   469810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97878e+03    1.94548e+04    1.31256e+04    1.18532e+03   -3.15290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76571e+03    9.33684e+04    4.00380e+05   -2.33976e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63592e+04   -2.44523e+06    4.82224e+05   -1.96300e+06    2.50112e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12634e+02   -2.07489e+02    3.46982e+01    5.77318e-06


DD  step 234909999 load imb.: force 17.9%  pme mesh/force 0.729
           Step           Time
      234910000   469820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04315e+03    1.94120e+04    1.32741e+04    1.20542e+03   -3.17766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86617e+03    9.28854e+04    3.96059e+05   -2.33948e+04   -2.97112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64159e+04   -2.44553e+06    4.77152e+05   -1.96838e+06    2.50118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09346e+02   -2.07438e+02   -1.07738e+02    5.58578e-06


DD  step 234914999 load imb.: force 17.1%  pme mesh/force 0.747
           Step           Time
      234915000   469830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84081e+03    1.94366e+04    1.30097e+04    1.16255e+03   -3.09812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77118e+03    9.36186e+04    4.00009e+05   -2.34003e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65640e+04   -2.44961e+06    4.79142e+05   -1.97047e+06    2.50124e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.07536e+02   -2.69471e+01    5.61653e-06


DD  step 234919999 load imb.: force 16.9%  pme mesh/force 0.765
           Step           Time
      234920000   469840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29446e+03    1.92636e+04    1.30618e+04    1.11310e+03   -3.02052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72297e+03    9.32469e+04    3.99143e+05   -2.33939e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65183e+04   -2.44641e+06    4.78961e+05   -1.96745e+06    2.50130e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.07424e+02   -4.01467e+01    5.83558e-06


DD  step 234924999 load imb.: force 15.9%  pme mesh/force 0.748
           Step           Time
      234925000   469850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17104e+03    1.95896e+04    1.31059e+04    1.19310e+03   -3.12576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00823e+03    9.28373e+04    4.01878e+05   -2.34298e+04   -2.98046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63844e+04   -2.44885e+06    4.80317e+05   -1.96853e+06    2.50136e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11398e+02   -2.08060e+02    1.18783e+02    5.58821e-06


DD  step 234929999 load imb.: force 19.1%  pme mesh/force 0.785
           Step           Time
      234930000   469860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14227e+03    1.96510e+04    1.30542e+04    1.23701e+03   -3.17938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78893e+03    9.34453e+04    3.99200e+05   -2.33679e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64888e+04   -2.44676e+06    4.79451e+05   -1.96731e+06    2.50142e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.06964e+02   -5.14044e+01    5.63542e-06


DD  step 234934999 load imb.: force 16.4%  pme mesh/force 0.771
           Step           Time
      234935000   469870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16755e+03    1.94994e+04    1.31847e+04    1.21929e+03   -3.23453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87272e+03    9.32438e+04    4.04636e+05   -2.34454e+04   -2.98304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63490e+04   -2.44855e+06    4.78933e+05   -1.96961e+06    2.50148e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10501e+02   -2.08336e+02    8.95082e+01    5.47656e-06


DD  step 234939999 load imb.: force 18.6%  pme mesh/force 0.774
           Step           Time
      234940000   469880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93784e+03    1.94898e+04    1.31220e+04    1.20957e+03   -3.17426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00747e+03    9.35064e+04    4.03175e+05   -2.34166e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65226e+04   -2.44489e+06    4.79857e+05   -1.96503e+06    2.50154e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11100e+02   -2.07825e+02    1.49238e+02    5.62951e-06


DD  step 234944999 load imb.: force 17.8%  pme mesh/force 0.747
           Step           Time
      234945000   469890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02908e+03    1.92234e+04    1.30082e+04    1.15929e+03   -3.09089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95506e+03    9.37719e+04    3.99220e+05   -2.33909e+04   -2.97755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64839e+04   -2.44818e+06    4.80731e+05   -1.96745e+06    2.50159e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11667e+02   -2.07369e+02   -4.99516e+01    5.64911e-06


DD  step 234949999 load imb.: force 16.2%  pme mesh/force 0.744
           Step           Time
      234950000   469900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16671e+03    1.94326e+04    1.33133e+04    1.20053e+03   -3.14420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72180e+03    9.29289e+04    3.98193e+05   -2.33529e+04   -2.97445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63160e+04   -2.44668e+06    4.77640e+05   -1.96904e+06    2.50165e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09662e+02   -2.06697e+02   -1.09369e+02    5.72140e-06


DD  step 234954999 load imb.: force 18.2%  pme mesh/force 0.750
           Step           Time
      234955000   469910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10545e+03    1.95244e+04    1.31567e+04    1.14459e+03   -3.14436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72871e+03    9.29943e+04    4.00405e+05   -2.34423e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65188e+04   -2.44848e+06    4.81090e+05   -1.96739e+06    2.50170e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11899e+02   -2.08281e+02   -2.19681e+01    5.71874e-06


DD  step 234959999 load imb.: force 15.6%  pme mesh/force 0.729
           Step           Time
      234960000   469920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23101e+03    1.92496e+04    1.32176e+04    1.19991e+03   -3.05211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87058e+03    9.29355e+04    4.01514e+05   -2.33895e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64921e+04   -2.44771e+06    4.79306e+05   -1.96841e+06    2.50176e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10742e+02   -2.07346e+02   -3.83264e+01    5.51401e-06


DD  step 234964999 load imb.: force 16.2%  pme mesh/force 0.747
           Step           Time
      234965000   469930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27265e+03    1.95552e+04    1.31591e+04    1.16738e+03   -3.09000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75657e+03    9.27506e+04    3.98953e+05   -2.33848e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66395e+04   -2.44766e+06    4.79292e+05   -1.96837e+06    2.50182e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.07262e+02   -7.85595e+01    5.75413e-06


DD  step 234969999 load imb.: force 18.7%  pme mesh/force 0.778
           Step           Time
      234970000   469940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95849e+03    1.94321e+04    1.32260e+04    1.22745e+03   -3.06945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84177e+03    9.33013e+04    4.01383e+05   -2.33505e+04   -2.97931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63553e+04   -2.44801e+06    4.78673e+05   -1.96934e+06    2.50188e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10332e+02   -2.06655e+02    1.08058e+01    5.77250e-06


DD  step 234974999 load imb.: force 16.5%  pme mesh/force 0.785
           Step           Time
      234975000   469950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12936e+03    1.91895e+04    1.30377e+04    1.22262e+03   -3.10235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72620e+03    9.36278e+04    3.96506e+05   -2.33696e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66587e+04   -2.44745e+06    4.79843e+05   -1.96761e+06    2.50194e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11091e+02   -2.06994e+02   -1.47634e+02    5.61519e-06


DD  step 234979999 load imb.: force 16.2%  pme mesh/force 0.743
           Step           Time
      234980000   469960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11415e+03    1.97969e+04    1.31753e+04    1.19530e+03   -3.15815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79944e+03    9.26323e+04    4.00666e+05   -2.33869e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64210e+04   -2.44909e+06    4.79085e+05   -1.97000e+06    2.50200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.07298e+02   -3.75856e+01    5.61189e-06


DD  step 234984999 load imb.: force 15.8%  pme mesh/force 0.719
           Step           Time
      234985000   469970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96584e+03    1.92479e+04    1.31903e+04    1.09398e+03   -3.14420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78987e+03    9.27705e+04    4.05405e+05   -2.33575e+04   -2.98667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63074e+04   -2.45240e+06    4.79358e+05   -1.97304e+06    2.50206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10776e+02   -2.06778e+02    5.24969e+01    5.59916e-06


DD  step 234989999 load imb.: force 15.3%  pme mesh/force 0.756
           Step           Time
      234990000   469980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94410e+03    1.93778e+04    1.29587e+04    1.24206e+03   -3.06281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72535e+03    9.29555e+04    3.98466e+05   -2.33378e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64602e+04   -2.44792e+06    4.79862e+05   -1.96806e+06    2.50211e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11103e+02   -2.06430e+02   -1.36453e+02    5.71941e-06


DD  step 234994999 load imb.: force 15.5%  pme mesh/force 0.728
           Step           Time
      234995000   469990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05381e+03    1.96412e+04    1.32262e+04    1.19730e+03   -3.19210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83533e+03    9.31141e+04    4.01744e+05   -2.34050e+04   -2.97881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66425e+04   -2.44695e+06    4.80893e+05   -1.96606e+06    2.50218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11772e+02   -2.07620e+02    6.47316e+01    5.78113e-06


DD  step 234999999 load imb.: force 18.4%  pme mesh/force 0.737
           Step           Time
      235000000   470000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01455e+03    1.93725e+04    1.31361e+04    1.10945e+03   -3.26559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91534e+03    9.28195e+04    3.98962e+05   -2.33315e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68306e+04   -2.44796e+06    4.79490e+05   -1.96847e+06    2.50224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.06319e+02   -3.38901e+01    5.55788e-06


DD  step 235004999 load imb.: force 15.2%  pme mesh/force 0.750
           Step           Time
      235005000   470010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04185e+03    1.95877e+04    1.29488e+04    1.16352e+03   -3.09692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78912e+03    9.31556e+04    4.01796e+05   -2.33796e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64359e+04   -2.44651e+06    4.82322e+05   -1.96418e+06    2.50229e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12698e+02   -2.07170e+02    8.08395e-01    5.77728e-06


DD  step 235009999 load imb.: force 17.6%  pme mesh/force 0.774
           Step           Time
      235010000   470020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88748e+03    1.94056e+04    1.31709e+04    1.21966e+03   -3.13460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87905e+03    9.26010e+04    4.00820e+05   -2.33683e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65147e+04   -2.44659e+06    4.78597e+05   -1.96799e+06    2.50236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10283e+02   -2.06970e+02   -6.18439e-02    5.53372e-06


DD  step 235014999 load imb.: force 15.9%  pme mesh/force 0.763
           Step           Time
      235015000   470030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97542e+03    1.88928e+04    1.31485e+04    1.19619e+03   -3.00778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89178e+03    9.27035e+04    4.01746e+05   -2.34211e+04   -2.98296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65914e+04   -2.45224e+06    4.79658e+05   -1.97259e+06    2.50241e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.07904e+02    2.11064e+01    5.73168e-06


DD  step 235019999 load imb.: force 14.5%  pme mesh/force 0.737
           Step           Time
      235020000   470040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10035e+03    1.97376e+04    1.31759e+04    1.23846e+03   -3.12805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86665e+03    9.29650e+04    4.01917e+05   -2.34059e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65209e+04   -2.44639e+06    4.80552e+05   -1.96584e+06    2.50247e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11551e+02   -2.07636e+02    7.49165e+01    5.55667e-06


DD  step 235024999 load imb.: force 15.7%  pme mesh/force 0.767
           Step           Time
      235025000   470050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97175e+03    1.92632e+04    1.29786e+04    1.16595e+03   -3.07264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86845e+03    9.29157e+04    4.02267e+05   -2.34255e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64010e+04   -2.44798e+06    4.76861e+05   -1.97112e+06    2.50253e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09157e+02   -2.07982e+02    9.92547e+01    5.81559e-06


DD  step 235029999 load imb.: force 15.1%  pme mesh/force 0.746
           Step           Time
      235030000   470060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01245e+03    1.95735e+04    1.31869e+04    1.23732e+03   -3.10842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87925e+03    9.25362e+04    4.00806e+05   -2.33722e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64519e+04   -2.44774e+06    4.79551e+05   -1.96819e+06    2.50259e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.07039e+02    2.32619e+01    5.82141e-06


DD  step 235034999 load imb.: force 19.5%  pme mesh/force 0.793
           Step           Time
      235035000   470070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98468e+03    1.92557e+04    1.31578e+04    1.10702e+03   -3.10785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85770e+03    9.27960e+04    3.99583e+05   -2.33845e+04   -2.97223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66977e+04   -2.44328e+06    4.79408e+05   -1.96387e+06    2.50264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10809e+02   -2.07257e+02    3.90611e+01    5.63773e-06


DD  step 235039999 load imb.: force 17.6%  pme mesh/force 0.796
           Step           Time
      235040000   470080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12462e+03    1.97727e+04    1.29454e+04    1.28485e+03   -3.10551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80880e+03    9.30277e+04    3.98534e+05   -2.33687e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64959e+04   -2.44736e+06    4.79856e+05   -1.96751e+06    2.50271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11099e+02   -2.06977e+02   -5.74616e+01    5.71136e-06


DD  step 235044999 load imb.: force 16.5%  pme mesh/force 0.805
           Step           Time
      235045000   470090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11759e+03    1.94489e+04    1.32838e+04    1.17363e+03   -3.17451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65094e+03    9.25742e+04    3.99341e+05   -2.33616e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65439e+04   -2.44838e+06    4.81332e+05   -1.96705e+06    2.50276e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12056e+02   -2.06852e+02   -7.74774e+01    5.81292e-06


DD  step 235049999 load imb.: force 15.7%  pme mesh/force 0.760
           Step           Time
      235050000   470100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91746e+03    1.95438e+04    1.31237e+04    1.18407e+03   -3.15147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80136e+03    9.31250e+04    4.00784e+05   -2.33988e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64451e+04   -2.44799e+06    4.79864e+05   -1.96812e+06    2.50282e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11105e+02   -2.07509e+02    7.27937e+00    5.77664e-06


DD  step 235054999 load imb.: force 19.2%  pme mesh/force 0.770
           Step           Time
      235055000   470110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11341e+03    1.93980e+04    1.32515e+04    1.16964e+03   -3.07990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92999e+03    9.36055e+04    4.00497e+05   -2.33966e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63491e+04   -2.44568e+06    4.80066e+05   -1.96561e+06    2.50288e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11235e+02   -2.07472e+02    6.61208e+01    5.67642e-06


DD  step 235059999 load imb.: force 19.7%  pme mesh/force 0.766
           Step           Time
      235060000   470120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19825e+03    1.93897e+04    1.31513e+04    1.15275e+03   -3.17668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81688e+03    9.26579e+04    4.01053e+05   -2.33791e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65181e+04   -2.44785e+06    4.79892e+05   -1.96796e+06    2.50294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11123e+02   -2.07162e+02   -1.24413e+01    5.79282e-06


DD  step 235064999 load imb.: force 15.1%  pme mesh/force 0.766
           Step           Time
      235065000   470130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97509e+03    1.94049e+04    1.31146e+04    1.20404e+03   -3.07894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84888e+03    9.31349e+04    3.99935e+05   -2.34057e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66247e+04   -2.44724e+06    4.79807e+05   -1.96743e+06    2.50300e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11067e+02   -2.07632e+02    3.12287e+01    5.69986e-06


DD  step 235069999 load imb.: force 16.4%  pme mesh/force 0.780
           Step           Time
      235070000   470140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04057e+03    1.95909e+04    1.31692e+04    1.17264e+03   -3.17457e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87032e+03    9.27004e+04    4.00783e+05   -2.33340e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65953e+04   -2.44469e+06    4.80338e+05   -1.96436e+06    2.50306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11412e+02   -2.06363e+02    2.36306e+01    5.70875e-06


DD  step 235074999 load imb.: force 17.0%  pme mesh/force 0.737
           Step           Time
      235075000   470150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34060e+03    1.96311e+04    1.32783e+04    1.22644e+03   -3.24405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77122e+03    9.28285e+04    4.00704e+05   -2.33903e+04   -2.97881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63253e+04   -2.44834e+06    4.81015e+05   -1.96733e+06    2.50312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11850e+02   -2.07360e+02    1.83478e+01    5.61632e-06


DD  step 235079999 load imb.: force 15.7%  pme mesh/force 0.776
           Step           Time
      235080000   470160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90207e+03    1.93901e+04    1.31736e+04    1.22273e+03   -3.09134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91666e+03    9.31297e+04    4.01367e+05   -2.33748e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63627e+04   -2.44674e+06    4.79670e+05   -1.96707e+06    2.50317e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10979e+02   -2.07084e+02    4.27589e+01    5.72794e-06


DD  step 235084999 load imb.: force 14.9%  pme mesh/force 0.729
           Step           Time
      235085000   470170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87955e+03    1.95327e+04    1.30335e+04    1.10822e+03   -3.04540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82110e+03    9.25272e+04    3.99706e+05   -2.33806e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65431e+04   -2.44766e+06    4.78381e+05   -1.96928e+06    2.50323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10143e+02   -2.07188e+02   -2.27869e+01    5.75271e-06


DD  step 235089999 load imb.: force 16.7%  pme mesh/force 0.775
           Step           Time
      235090000   470180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38895e+03    1.95697e+04    1.31500e+04    1.20705e+03   -3.09754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82827e+03    9.23843e+04    3.99187e+05   -2.33485e+04   -2.97423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64288e+04   -2.44553e+06    4.79279e+05   -1.96625e+06    2.50329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10725e+02   -2.06619e+02   -8.74256e+01    5.69889e-06


DD  step 235094999 load imb.: force 15.8%  pme mesh/force 0.769
           Step           Time
      235095000   470190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07327e+03    1.91474e+04    1.31907e+04    1.16037e+03   -3.22644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76969e+03    9.34755e+04    4.00599e+05   -2.33774e+04   -2.97731e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65041e+04   -2.44699e+06    4.79607e+05   -1.96739e+06    2.50335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.07131e+02   -1.56967e+01    5.44195e-06


DD  step 235099999 load imb.: force 15.7%  pme mesh/force 0.752
           Step           Time
      235100000   470200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09688e+03    1.96147e+04    1.30807e+04    1.23657e+03   -3.07729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82438e+03    9.33576e+04    4.00903e+05   -2.33510e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66942e+04   -2.44725e+06    4.80886e+05   -1.96637e+06    2.50341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.06664e+02   -5.65189e+01    5.60765e-06


DD  step 235104999 load imb.: force 17.4%  pme mesh/force 0.759
           Step           Time
      235105000   470210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26361e+03    1.95274e+04    1.33944e+04    1.12899e+03   -3.15568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84483e+03    9.32119e+04    4.01639e+05   -2.33751e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68222e+04   -2.44479e+06    4.80018e+05   -1.96477e+06    2.50346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11204e+02   -2.07089e+02    3.13339e+01    5.71338e-06


DD  step 235109999 load imb.: force 18.0%  pme mesh/force 0.781
           Step           Time
      235110000   470220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93808e+03    1.94495e+04    1.30135e+04    1.19236e+03   -3.07547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79685e+03    9.29741e+04    4.03052e+05   -2.33912e+04   -2.98095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65592e+04   -2.44844e+06    4.81409e+05   -1.96703e+06    2.50352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12106e+02   -2.07375e+02    8.82183e+01    5.76703e-06


DD  step 235114999 load imb.: force 17.1%  pme mesh/force 0.792
           Step           Time
      235115000   470230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88985e+03    1.93522e+04    1.32186e+04    1.17864e+03   -3.05578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97852e+03    9.34429e+04    3.98500e+05   -2.33628e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65378e+04   -2.44746e+06    4.80407e+05   -1.96706e+06    2.50358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.06873e+02   -4.43229e+01    5.63555e-06


DD  step 235119999 load imb.: force 16.2%  pme mesh/force 0.797
           Step           Time
      235120000   470240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89715e+03    1.94937e+04    1.31999e+04    1.13754e+03   -3.17275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89672e+03    9.31578e+04    4.04736e+05   -2.33929e+04   -2.98124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66496e+04   -2.44664e+06    4.78416e+05   -1.96822e+06    2.50364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10166e+02   -2.07405e+02    1.50248e+02    5.58235e-06


DD  step 235124999 load imb.: force 15.6%  pme mesh/force 0.778
           Step           Time
      235125000   470250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93878e+03    1.94385e+04    1.32151e+04    1.13524e+03   -3.10542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92498e+03    9.30311e+04    3.99305e+05   -2.34006e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63774e+04   -2.44745e+06    4.79494e+05   -1.96796e+06    2.50370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10865e+02   -2.07541e+02    1.67922e+01    5.67154e-06


DD  step 235129999 load imb.: force 14.9%  pme mesh/force 0.722
           Step           Time
      235130000   470260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88060e+03    1.93266e+04    1.29492e+04    1.28332e+03   -3.14513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96202e+03    9.28565e+04    3.99827e+05   -2.33352e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64557e+04   -2.44868e+06    4.80220e+05   -1.96846e+06    2.50376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11335e+02   -2.06385e+02   -2.44137e+01    5.60538e-06

Writing checkpoint, step 235130150 at Wed Nov  8 06:46:28 2023



DD  step 235134999 load imb.: force 16.4%  pme mesh/force 0.786
           Step           Time
      235135000   470270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07740e+03    1.92528e+04    1.30463e+04    1.24903e+03   -2.99234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75262e+03    9.28629e+04    4.01745e+05   -2.34329e+04   -2.98001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62821e+04   -2.44917e+06    4.78300e+05   -1.97087e+06    2.50382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10090e+02   -2.08114e+02    5.96363e+01    5.58087e-06


DD  step 235139999 load imb.: force 15.2%  pme mesh/force 0.754
           Step           Time
      235140000   470280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03575e+03    1.92771e+04    1.31589e+04    1.21387e+03   -3.13590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85847e+03    9.35868e+04    3.97263e+05   -2.33744e+04   -2.97094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66087e+04   -2.44345e+06    4.80159e+05   -1.96329e+06    2.50387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11295e+02   -2.07077e+02   -7.18240e+01    5.56820e-06


DD  step 235144999 load imb.: force 17.3%  pme mesh/force 0.768
           Step           Time
      235145000   470290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94476e+03    1.95875e+04    1.30361e+04    1.16812e+03   -3.12934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86497e+03    9.29847e+04    3.98097e+05   -2.34210e+04   -2.97453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64542e+04   -2.44694e+06    4.78894e+05   -1.96805e+06    2.50393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.07903e+02   -3.47855e+01    5.73593e-06


DD  step 235149999 load imb.: force 16.6%  pme mesh/force 0.777
           Step           Time
      235150000   470300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96402e+03    1.95398e+04    1.31336e+04    1.11132e+03   -3.05338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89429e+03    9.29692e+04    4.00506e+05   -2.33743e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66923e+04   -2.44563e+06    4.80211e+05   -1.96542e+06    2.50399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11329e+02   -2.07076e+02    2.76692e+01    5.55169e-06


DD  step 235154999 load imb.: force 16.0%  pme mesh/force 0.766
           Step           Time
      235155000   470310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79537e+03    1.91959e+04    1.30335e+04    1.22927e+03   -3.03352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01685e+03    9.27561e+04    3.97128e+05   -2.33616e+04   -2.97287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66464e+04   -2.44647e+06    4.78885e+05   -1.96758e+06    2.50404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10470e+02   -2.06850e+02   -8.17017e+01    5.70046e-06


DD  step 235159999 load imb.: force 13.8%  pme mesh/force 0.740
           Step           Time
      235160000   470320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98976e+03    1.96043e+04    1.29521e+04    1.09728e+03   -3.14029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77931e+03    9.29290e+04    4.01424e+05   -2.34066e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64100e+04   -2.44717e+06    4.76997e+05   -1.97017e+06    2.50410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09246e+02   -2.07649e+02    3.38181e+01    5.60892e-06


DD  step 235164999 load imb.: force 16.5%  pme mesh/force 0.787
           Step           Time
      235165000   470330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10682e+03    1.95944e+04    1.30470e+04    1.15645e+03   -3.07420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84707e+03    9.26989e+04    4.01065e+05   -2.33599e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65694e+04   -2.44523e+06    4.79949e+05   -1.96528e+06    2.50416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11160e+02   -2.06822e+02    3.90293e+01    5.40582e-06


DD  step 235169999 load imb.: force 15.0%  pme mesh/force 0.756
           Step           Time
      235170000   470340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11945e+03    1.91604e+04    1.33326e+04    1.23559e+03   -3.13048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88357e+03    9.29890e+04    3.99624e+05   -2.33686e+04   -2.97842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64476e+04   -2.44912e+06    4.79862e+05   -1.96926e+06    2.50422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11103e+02   -2.06976e+02   -3.51154e+01    5.62523e-06


DD  step 235174999 load imb.: force 15.4%  pme mesh/force 0.764
           Step           Time
      235175000   470350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17222e+03    1.95827e+04    1.31812e+04    1.16763e+03   -3.04740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77766e+03    9.22165e+04    3.99818e+05   -2.33540e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65725e+04   -2.44825e+06    4.80032e+05   -1.96822e+06    2.50428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.06717e+02   -7.67336e+01    5.73669e-06


DD  step 235179999 load imb.: force 15.2%  pme mesh/force 0.761
           Step           Time
      235180000   470360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15965e+03    1.96182e+04    1.31395e+04    1.20415e+03   -3.18834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77576e+03    9.28305e+04    4.01844e+05   -2.34033e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63543e+04   -2.44704e+06    4.79870e+05   -1.96717e+06    2.50434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11108e+02   -2.07590e+02    6.11882e+01    5.65152e-06


DD  step 235184999 load imb.: force 17.2%  pme mesh/force 0.757
           Step           Time
      235185000   470370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05899e+03    1.93993e+04    1.31589e+04    1.13546e+03   -3.12802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94748e+03    9.31268e+04    4.00808e+05   -2.34011e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63068e+04   -2.44617e+06    4.81843e+05   -1.96433e+06    2.50439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12387e+02   -2.07550e+02    8.09713e+01    5.68564e-06


DD  step 235189999 load imb.: force 14.7%  pme mesh/force 0.732
           Step           Time
      235190000   470380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99090e+03    1.94781e+04    1.30742e+04    1.13222e+03   -3.09632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83094e+03    9.24599e+04    3.98532e+05   -2.33711e+04   -2.97603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64831e+04   -2.44852e+06    4.80086e+05   -1.96843e+06    2.50445e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11249e+02   -2.07020e+02   -5.41438e+01    5.64170e-06


DD  step 235194999 load imb.: force 16.8%  pme mesh/force 0.770
           Step           Time
      235195000   470390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06449e+03    1.96430e+04    1.31217e+04    1.24728e+03   -3.04782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70255e+03    9.27315e+04    4.00791e+05   -2.33909e+04   -2.97701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63141e+04   -2.44683e+06    4.79569e+05   -1.96726e+06    2.50451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10913e+02   -2.07370e+02   -4.79799e+01    5.76404e-06


DD  step 235199999 load imb.: force 15.8%  pme mesh/force 0.757
           Step           Time
      235200000   470400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14432e+03    1.94513e+04    1.32235e+04    1.14134e+03   -3.09573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85414e+03    9.32829e+04    4.01259e+05   -2.33676e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65628e+04   -2.44587e+06    4.79622e+05   -1.96625e+06    2.50458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10948e+02   -2.06958e+02    3.23240e+01    5.58802e-06


DD  step 235204999 load imb.: force 17.4%  pme mesh/force 0.735
           Step           Time
      235205000   470410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32319e+03    1.91916e+04    1.32137e+04    1.19488e+03   -3.11115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90126e+03    9.25612e+04    4.01609e+05   -2.34067e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64076e+04   -2.44798e+06    4.79713e+05   -1.96827e+06    2.50463e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11007e+02   -2.07649e+02    1.80397e+01    5.65081e-06


DD  step 235209999 load imb.: force 18.4%  pme mesh/force 0.768
           Step           Time
      235210000   470420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91120e+03    1.92016e+04    1.30695e+04    1.25625e+03   -3.16323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77347e+03    9.24398e+04    3.99756e+05   -2.33958e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67565e+04   -2.44752e+06    4.78197e+05   -1.96932e+06    2.50469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10024e+02   -2.07457e+02    8.92957e+00    5.67817e-06


DD  step 235214999 load imb.: force 16.0%  pme mesh/force 0.774
           Step           Time
      235215000   470430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07797e+03    1.93276e+04    1.32296e+04    1.24339e+03   -3.10719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92347e+03    9.29162e+04    4.00050e+05   -2.34168e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63927e+04   -2.44609e+06    4.79113e+05   -1.96698e+06    2.50475e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.07829e+02    6.73909e+01    5.58988e-06


DD  step 235219999 load imb.: force 16.4%  pme mesh/force 0.774
           Step           Time
      235220000   470440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07298e+03    1.97005e+04    1.29868e+04    1.09531e+03   -3.05039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89075e+03    9.29419e+04    3.99794e+05   -2.33549e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64729e+04   -2.44596e+06    4.81376e+05   -1.96458e+06    2.50480e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12085e+02   -2.06732e+02    2.57990e+01    5.80234e-06


DD  step 235224999 load imb.: force 14.5%  pme mesh/force 0.736
           Step           Time
      235225000   470450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10870e+03    1.91732e+04    1.32524e+04    1.20554e+03   -3.04977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86968e+03    9.33129e+04    3.99324e+05   -2.33788e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65100e+04   -2.44478e+06    4.79034e+05   -1.96574e+06    2.50486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10567e+02   -2.07155e+02   -1.86702e+01    5.60025e-06


DD  step 235229999 load imb.: force 15.0%  pme mesh/force 0.745
           Step           Time
      235230000   470460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13543e+03    1.95427e+04    1.32986e+04    1.18071e+03   -3.11707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81084e+03    9.30977e+04    3.99188e+05   -2.33920e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63307e+04   -2.44762e+06    4.80240e+05   -1.96738e+06    2.50492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.07389e+02   -4.04907e+01    5.76356e-06


DD  step 235234999 load imb.: force 16.5%  pme mesh/force 0.754
           Step           Time
      235235000   470470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73039e+03    1.91007e+04    1.31509e+04    1.17312e+03   -3.14645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95893e+03    9.34243e+04    4.01508e+05   -2.33777e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65094e+04   -2.44620e+06    4.78101e+05   -1.96810e+06    2.50498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.07136e+02    5.84007e+01    5.48723e-06


DD  step 235239999 load imb.: force 16.4%  pme mesh/force 0.777
           Step           Time
      235240000   470480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87023e+03    1.91372e+04    1.30644e+04    1.15943e+03   -3.17217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94470e+03    9.25852e+04    4.01668e+05   -2.33866e+04   -2.98103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64639e+04   -2.45069e+06    4.80107e+05   -1.97058e+06    2.50503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11262e+02   -2.07294e+02    1.28169e+01    5.82589e-06


DD  step 235244999 load imb.: force 16.7%  pme mesh/force 0.749
           Step           Time
      235245000   470490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09261e+03    1.93653e+04    1.30877e+04    1.20288e+03   -3.08704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82749e+03    9.27620e+04    4.03132e+05   -2.34026e+04   -2.98316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65973e+04   -2.45058e+06    4.78048e+05   -1.97253e+06    2.50510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09927e+02   -2.07577e+02    5.36467e+01    5.53847e-06


DD  step 235249999 load imb.: force 17.4%  pme mesh/force 0.779
           Step           Time
      235250000   470500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97428e+03    1.92097e+04    1.31243e+04    1.24726e+03   -3.09776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90438e+03    9.28892e+04    4.00123e+05   -2.34112e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64430e+04   -2.44846e+06    4.77465e+05   -1.97100e+06    2.50515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09549e+02   -2.07729e+02   -1.02153e+00    5.61038e-06


DD  step 235254999 load imb.: force 16.7%  pme mesh/force 0.805
           Step           Time
      235255000   470510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09606e+03    1.91478e+04    1.30437e+04    1.20880e+03   -3.10590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85068e+03    9.24829e+04    4.00248e+05   -2.33954e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65610e+04   -2.44931e+06    4.79822e+05   -1.96948e+06    2.50521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.07449e+02   -1.45775e+01    5.67701e-06


DD  step 235259999 load imb.: force 16.6%  pme mesh/force 0.783
           Step           Time
      235260000   470520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29506e+03    1.92990e+04    1.32670e+04    1.14241e+03   -3.09163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90565e+03    9.32342e+04    3.99404e+05   -2.34283e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66102e+04   -2.44551e+06    4.78855e+05   -1.96666e+06    2.50528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10450e+02   -2.08033e+02    2.15114e+01    5.65341e-06


DD  step 235264999 load imb.: force 16.3%  pme mesh/force 0.774
           Step           Time
      235265000   470530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08471e+03    1.90909e+04    1.31483e+04    1.13866e+03   -2.94130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93040e+03    9.24753e+04    4.00274e+05   -2.33485e+04   -2.97452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65120e+04   -2.44515e+06    4.80184e+05   -1.96497e+06    2.50533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11312e+02   -2.06619e+02   -3.19662e+01    5.71483e-06


DD  step 235269999 load imb.: force 16.2%  pme mesh/force 0.808
           Step           Time
      235270000   470540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11179e+03    1.95514e+04    1.31809e+04    1.07892e+03   -2.99743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74084e+03    9.23009e+04    3.98259e+05   -2.33363e+04   -2.97263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64472e+04   -2.44529e+06    4.80457e+05   -1.96484e+06    2.50539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11489e+02   -2.06405e+02   -8.25060e+01    5.82547e-06


DD  step 235274999 load imb.: force 16.2%  pme mesh/force 0.786
           Step           Time
      235275000   470550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87657e+03    1.92589e+04    1.31991e+04    1.17739e+03   -3.08610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84126e+03    9.25607e+04    4.00629e+05   -2.33426e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65276e+04   -2.44835e+06    4.79869e+05   -1.96849e+06    2.50544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11108e+02   -2.06516e+02   -2.23050e+01    5.65842e-06


DD  step 235279999 load imb.: force 16.6%  pme mesh/force 0.745
           Step           Time
      235280000   470560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92540e+03    1.97171e+04    1.31052e+04    1.21671e+03   -3.07361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83766e+03    9.23947e+04    3.99399e+05   -2.33786e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67352e+04   -2.44622e+06    4.81224e+05   -1.96499e+06    2.50550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11986e+02   -2.07152e+02    4.97791e+00    5.66587e-06


DD  step 235284999 load imb.: force 16.9%  pme mesh/force 0.770
           Step           Time
      235285000   470570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20355e+03    1.96900e+04    1.31316e+04    1.23448e+03   -2.98338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87244e+03    9.23010e+04    4.00965e+05   -2.33505e+04   -2.97249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63702e+04   -2.44206e+06    4.81094e+05   -1.96096e+06    2.50556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11902e+02   -2.06655e+02    5.73697e+01    5.64094e-06


DD  step 235289999 load imb.: force 16.3%  pme mesh/force 0.768
           Step           Time
      235290000   470580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13560e+03    1.89472e+04    1.31079e+04    1.16509e+03   -3.02236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78538e+03    9.28889e+04    4.01117e+05   -2.33851e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64592e+04   -2.44757e+06    4.79487e+05   -1.96809e+06    2.50562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.07266e+02   -4.94342e+00    5.60333e-06


DD  step 235294999 load imb.: force 16.3%  pme mesh/force 0.762
           Step           Time
      235295000   470590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58616e+03    1.93577e+04    1.29586e+04    1.16201e+03   -3.09023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.03173e+03    9.24517e+04    4.00396e+05   -2.33810e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66278e+04   -2.44922e+06    4.81137e+05   -1.96808e+06    2.50567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11930e+02   -2.07195e+02   -1.55881e+01    5.59096e-06


DD  step 235299999 load imb.: force 19.8%  pme mesh/force 0.800
           Step           Time
      235300000   470600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88285e+03    1.98936e+04    1.31524e+04    1.25376e+03   -3.17496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88341e+03    9.28005e+04    3.99877e+05   -2.34259e+04   -2.97392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63733e+04   -2.44441e+06    4.79117e+05   -1.96529e+06    2.50574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10620e+02   -2.07990e+02    1.25755e+02    5.56649e-06


DD  step 235304999 load imb.: force 18.0%  pme mesh/force 0.762
           Step           Time
      235305000   470610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15798e+03    1.97795e+04    1.32808e+04    1.27293e+03   -3.19727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74403e+03    9.31160e+04    4.02908e+05   -2.33979e+04   -2.97965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63436e+04   -2.44664e+06    4.81087e+05   -1.96555e+06    2.50580e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11897e+02   -2.07493e+02    8.91039e+01    5.61261e-06


DD  step 235309999 load imb.: force 15.7%  pme mesh/force 0.716
           Step           Time
      235310000   470620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85548e+03    1.94836e+04    1.31447e+04    1.21364e+03   -3.08579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85738e+03    9.28872e+04    4.00270e+05   -2.33983e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65289e+04   -2.44796e+06    4.79622e+05   -1.96834e+06    2.50586e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10948e+02   -2.07501e+02    2.49747e+01    5.75648e-06


DD  step 235314999 load imb.: force 15.3%  pme mesh/force 0.737
           Step           Time
      235315000   470630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98824e+03    1.95191e+04    1.32082e+04    1.20017e+03   -3.16080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82637e+03    9.26553e+04    3.99793e+05   -2.33705e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66200e+04   -2.44954e+06    4.80241e+05   -1.96930e+06    2.50591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.07009e+02   -1.05377e+02    5.61854e-06


DD  step 235319999 load imb.: force 18.7%  pme mesh/force 0.794
           Step           Time
      235320000   470640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01371e+03    1.93371e+04    1.31491e+04    1.16300e+03   -3.12740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93297e+03    9.27247e+04    3.99944e+05   -2.34127e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64493e+04   -2.44639e+06    4.79714e+05   -1.96668e+06    2.50597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11007e+02   -2.07756e+02   -2.82303e+01    5.53736e-06


DD  step 235324999 load imb.: force 16.4%  pme mesh/force 0.774
           Step           Time
      235325000   470650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80556e+03    1.94646e+04    1.32176e+04    1.22713e+03   -3.16464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91270e+03    9.27350e+04    4.02144e+05   -2.33771e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65305e+04   -2.44792e+06    4.79349e+05   -1.96858e+06    2.50603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.07125e+02    1.74217e+01    5.53243e-06


DD  step 235329999 load imb.: force 16.4%  pme mesh/force 0.764
           Step           Time
      235330000   470660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95436e+03    1.90149e+04    1.31937e+04    1.24643e+03   -3.06384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85347e+03    9.29518e+04    3.97921e+05   -2.34048e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65422e+04   -2.44914e+06    4.79169e+05   -1.96997e+06    2.50608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10654e+02   -2.07616e+02   -1.08496e+02    5.65346e-06


DD  step 235334999 load imb.: force 17.0%  pme mesh/force 0.774
           Step           Time
      235335000   470670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93399e+03    1.93148e+04    1.30677e+04    1.26308e+03   -3.04432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85145e+03    9.25469e+04    4.00669e+05   -2.33811e+04   -2.98003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62666e+04   -2.45055e+06    4.78551e+05   -1.97200e+06    2.50614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.07196e+02   -5.08911e+01    5.80989e-06


DD  step 235339999 load imb.: force 16.9%  pme mesh/force 0.786
           Step           Time
      235340000   470680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08766e+03    1.95762e+04    1.32018e+04    1.19104e+03   -3.14431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82316e+03    9.18185e+04    4.00841e+05   -2.33709e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63925e+04   -2.44770e+06    4.78420e+05   -1.96928e+06    2.50620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.07016e+02    1.70569e+00    5.47602e-06


DD  step 235344999 load imb.: force 16.5%  pme mesh/force 0.787
           Step           Time
      235345000   470690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01937e+03    1.94581e+04    1.32454e+04    1.23934e+03   -3.20044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74234e+03    9.30807e+04    3.99341e+05   -2.33721e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65714e+04   -2.44508e+06    4.79543e+05   -1.96554e+06    2.50626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10896e+02   -2.07037e+02   -4.09648e+01    5.61372e-06


DD  step 235349999 load imb.: force 17.1%  pme mesh/force 0.786
           Step           Time
      235350000   470700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99049e+03    1.95791e+04    1.31622e+04    1.14022e+03   -3.19704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79447e+03    9.27247e+04    3.99336e+05   -2.33919e+04   -2.97858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63252e+04   -2.45011e+06    4.81007e+05   -1.96911e+06    2.50631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11846e+02   -2.07388e+02   -7.76814e+01    5.56833e-06


DD  step 235354999 load imb.: force 14.6%  pme mesh/force 0.738
           Step           Time
      235355000   470710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04226e+03    1.92929e+04    1.32837e+04    1.25962e+03   -3.09034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84140e+03    9.31335e+04    4.02263e+05   -2.34008e+04   -2.98165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66530e+04   -2.44937e+06    4.81159e+05   -1.96821e+06    2.50637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11944e+02   -2.07546e+02    4.67117e+01    5.64115e-06


DD  step 235359999 load imb.: force 16.0%  pme mesh/force 0.744
           Step           Time
      235360000   470720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08849e+03    1.98179e+04    1.32313e+04    1.20498e+03   -3.03369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88030e+03    9.27733e+04    4.01405e+05   -2.33868e+04   -2.97443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65609e+04   -2.44289e+06    4.81922e+05   -1.96097e+06    2.50643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12439e+02   -2.07298e+02    5.69932e+01    5.76612e-06


DD  step 235364999 load imb.: force 15.6%  pme mesh/force 0.729
           Step           Time
      235365000   470730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89649e+03    1.92758e+04    1.31268e+04    1.19423e+03   -3.06618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94014e+03    9.34533e+04    3.99949e+05   -2.34162e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67251e+04   -2.44883e+06    4.80405e+05   -1.96842e+06    2.50649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11455e+02   -2.07817e+02    1.51768e+00    5.69118e-06


DD  step 235369999 load imb.: force 18.4%  pme mesh/force 0.782
           Step           Time
      235370000   470740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74404e+03    1.94522e+04    1.30881e+04    1.16377e+03   -2.98342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91808e+03    9.26235e+04    4.00633e+05   -2.34274e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66300e+04   -2.44903e+06    4.81774e+05   -1.96726e+06    2.50654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12343e+02   -2.08017e+02    3.72901e+01    5.57953e-06


DD  step 235374999 load imb.: force 15.9%  pme mesh/force 0.734
           Step           Time
      235375000   470750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03541e+03    1.97666e+04    1.31155e+04    1.17301e+03   -3.09980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79050e+03    9.27773e+04    4.00436e+05   -2.33833e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65795e+04   -2.44693e+06    4.79460e+05   -1.96747e+06    2.50661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07236e+02    1.60652e+00    5.59080e-06


DD  step 235379999 load imb.: force 17.2%  pme mesh/force 0.778
           Step           Time
      235380000   470760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00609e+03    1.98629e+04    1.32260e+04    1.17574e+03   -3.15962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81016e+03    9.20335e+04    3.99784e+05   -2.33354e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66482e+04   -2.44792e+06    4.81597e+05   -1.96632e+06    2.50666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12228e+02   -2.06388e+02   -7.12896e+01    5.73732e-06


DD  step 235384999 load imb.: force 17.8%  pme mesh/force 0.773
           Step           Time
      235385000   470770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03246e+03    1.96605e+04    1.32322e+04    1.27635e+03   -3.22280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72223e+03    9.30058e+04    4.02002e+05   -2.33807e+04   -2.97866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64934e+04   -2.44684e+06    4.79367e+05   -1.96747e+06    2.50672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10782e+02   -2.07189e+02    3.12218e+01    5.64738e-06


DD  step 235389999 load imb.: force 15.9%  pme mesh/force 0.774
           Step           Time
      235390000   470780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04862e+03    1.94982e+04    1.31214e+04    1.21283e+03   -3.09236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74638e+03    9.20714e+04    4.00046e+05   -2.33681e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63320e+04   -2.44762e+06    4.77761e+05   -1.96986e+06    2.50678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09741e+02   -2.06967e+02   -6.66565e+01    5.74142e-06


DD  step 235394999 load imb.: force 17.0%  pme mesh/force 0.754
           Step           Time
      235395000   470790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00179e+03    1.95718e+04    1.33008e+04    1.17166e+03   -3.10226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76922e+03    9.27690e+04    3.98130e+05   -2.34127e+04   -2.97273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64504e+04   -2.44508e+06    4.79760e+05   -1.96532e+06    2.50684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11037e+02   -2.07756e+02   -3.98410e+01    5.67694e-06


DD  step 235399999 load imb.: force 18.0%  pme mesh/force 0.826
           Step           Time
      235400000   470800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01761e+03    1.90974e+04    1.31767e+04    1.12078e+03   -3.12054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75031e+03    9.27161e+04    4.02496e+05   -2.33887e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64360e+04   -2.45041e+06    4.77524e+05   -1.97289e+06    2.50689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09587e+02   -2.07332e+02    1.06720e+01    5.54395e-06


DD  step 235404999 load imb.: force 16.6%  pme mesh/force 0.765
           Step           Time
      235405000   470810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81648e+03    1.93031e+04    1.31655e+04    1.12569e+03   -3.08657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78165e+03    9.24402e+04    4.01103e+05   -2.34015e+04   -2.97950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62892e+04   -2.44996e+06    4.78489e+05   -1.97148e+06    2.50694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10213e+02   -2.07557e+02   -9.34830e-01    5.48299e-06


DD  step 235409999 load imb.: force 18.5%  pme mesh/force 0.759
           Step           Time
      235410000   470820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12999e+03    1.96539e+04    1.30174e+04    1.25027e+03   -3.17506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82117e+03    9.25436e+04    4.00923e+05   -2.34152e+04   -2.97775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63793e+04   -2.44763e+06    4.79641e+05   -1.96798e+06    2.50701e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.07800e+02    9.11266e+00    5.59120e-06


DD  step 235414999 load imb.: force 18.9%  pme mesh/force 0.780
           Step           Time
      235415000   470830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06592e+03    1.93899e+04    1.32000e+04    1.22906e+03   -3.13718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91374e+03    9.30247e+04    4.02964e+05   -2.34347e+04   -2.98087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63742e+04   -2.44828e+06    4.81353e+05   -1.96693e+06    2.50706e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12070e+02   -2.08145e+02    9.93744e+01    5.57519e-06


DD  step 235419999 load imb.: force 19.0%  pme mesh/force 0.780
           Step           Time
      235420000   470840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80468e+03    1.95959e+04    1.32396e+04    1.19181e+03   -3.06946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94073e+03    9.28782e+04    3.97930e+05   -2.33496e+04   -2.96960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65615e+04   -2.44187e+06    4.79197e+05   -1.96268e+06    2.50711e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10672e+02   -2.06639e+02    2.30353e+01    5.51442e-06


DD  step 235424999 load imb.: force 17.9%  pme mesh/force 0.743
           Step           Time
      235425000   470850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91184e+03    1.95808e+04    1.32425e+04    1.21633e+03   -3.06518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93310e+03    9.28334e+04    3.97671e+05   -2.33670e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65211e+04   -2.44709e+06    4.79969e+05   -1.96712e+06    2.50717e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11173e+02   -2.06946e+02   -2.07012e+01    5.39221e-06


DD  step 235429999 load imb.: force 16.9%  pme mesh/force 0.775
           Step           Time
      235430000   470860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06820e+03    1.96475e+04    1.32036e+04    1.16652e+03   -3.11386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75446e+03    9.27647e+04    3.98893e+05   -2.33832e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65141e+04   -2.44669e+06    4.78031e+05   -1.96866e+06    2.50724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09916e+02   -2.07234e+02   -6.90650e+01    5.56914e-06


DD  step 235434999 load imb.: force 17.2%  pme mesh/force 0.744
           Step           Time
      235435000   470870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15024e+03    1.93173e+04    1.31180e+04    1.13614e+03   -3.06710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86556e+03    9.28474e+04    3.99105e+05   -2.33913e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65811e+04   -2.44606e+06    4.78503e+05   -1.96755e+06    2.50729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10222e+02   -2.07377e+02   -3.02770e+01    5.60058e-06


DD  step 235439999 load imb.: force 17.0%  pme mesh/force 0.727
           Step           Time
      235440000   470880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18053e+03    1.95962e+04    1.31521e+04    1.19022e+03   -3.09191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80683e+03    9.23268e+04    3.96326e+05   -2.33575e+04   -2.97337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65439e+04   -2.44769e+06    4.80831e+05   -1.96686e+06    2.50735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11731e+02   -2.06779e+02   -1.19961e+02    5.58417e-06


DD  step 235444999 load imb.: force 15.6%  pme mesh/force 0.734
           Step           Time
      235445000   470890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85775e+03    1.94906e+04    1.30604e+04    1.23034e+03   -3.03430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83461e+03    9.29646e+04    4.01390e+05   -2.34073e+04   -2.97989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65482e+04   -2.44896e+06    4.80146e+05   -1.96881e+06    2.50740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11287e+02   -2.07660e+02    7.85911e+01    5.73843e-06


DD  step 235449999 load imb.: force 18.2%  pme mesh/force 0.784
           Step           Time
      235450000   470900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29813e+03    1.91840e+04    1.30161e+04    1.20035e+03   -3.09136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92446e+03    9.28139e+04    4.01802e+05   -2.33557e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66446e+04   -2.44505e+06    4.79680e+05   -1.96537e+06    2.50746e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10985e+02   -2.06748e+02    4.16710e+01    5.67099e-06


DD  step 235454999 load imb.: force 18.3%  pme mesh/force 0.740
           Step           Time
      235455000   470910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92034e+03    1.96755e+04    1.32022e+04    1.18177e+03   -3.05424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00195e+03    9.27599e+04    4.00319e+05   -2.33850e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65559e+04   -2.44536e+06    4.78728e+05   -1.96663e+06    2.50752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.07266e+02    7.14628e+01    5.61944e-06


DD  step 235459999 load imb.: force 16.3%  pme mesh/force 0.743
           Step           Time
      235460000   470920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78862e+03    1.94985e+04    1.31771e+04    1.23498e+03   -3.04894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77206e+03    9.24751e+04    4.02325e+05   -2.33627e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65560e+04   -2.44717e+06    4.81532e+05   -1.96564e+06    2.50757e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12186e+02   -2.06871e+02    3.75892e+01    5.75023e-06

Writing checkpoint, step 235461200 at Wed Nov  8 07:01:28 2023



DD  step 235464999 load imb.: force 16.5%  pme mesh/force 0.720
           Step           Time
      235465000   470930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03876e+03    1.95825e+04    1.29008e+04    1.12622e+03   -3.00523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89674e+03    9.24675e+04    4.01513e+05   -2.34121e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64839e+04   -2.44757e+06    4.80127e+05   -1.96744e+06    2.50763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07746e+02    5.37604e+01    5.60995e-06


DD  step 235469999 load imb.: force 16.9%  pme mesh/force 0.720
           Step           Time
      235470000   470940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09237e+03    1.93565e+04    1.30758e+04    1.08673e+03   -3.09993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84519e+03    9.28295e+04    4.00970e+05   -2.33897e+04   -2.97905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65230e+04   -2.44876e+06    4.78551e+05   -1.97021e+06    2.50769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.07348e+02   -4.76382e+01    5.70226e-06


DD  step 235474999 load imb.: force 17.6%  pme mesh/force 0.761
           Step           Time
      235475000   470950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02035e+03    1.96156e+04    1.31288e+04    1.19334e+03   -3.06235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92878e+03    9.24159e+04    3.99367e+05   -2.33756e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64222e+04   -2.44625e+06    4.80630e+05   -1.96562e+06    2.50775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11601e+02   -2.07098e+02   -4.65665e+00    5.64533e-06


DD  step 235479999 load imb.: force 17.3%  pme mesh/force 0.775
           Step           Time
      235480000   470960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88335e+03    1.97046e+04    1.31230e+04    1.11517e+03   -3.05264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97671e+03    9.32432e+04    4.02104e+05   -2.34084e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64407e+04   -2.44630e+06    4.79254e+05   -1.96704e+06    2.50781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.07680e+02    1.02174e+02    5.63416e-06


DD  step 235484999 load imb.: force 16.6%  pme mesh/force 0.757
           Step           Time
      235485000   470970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84714e+03    1.97897e+04    1.32132e+04    1.23574e+03   -3.12360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89445e+03    9.25403e+04    3.97799e+05   -2.33621e+04   -2.97228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63425e+04   -2.44510e+06    4.79911e+05   -1.96519e+06    2.50787e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.06860e+02   -7.93777e+01    5.59865e-06


DD  step 235489999 load imb.: force 16.2%  pme mesh/force 0.739
           Step           Time
      235490000   470980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99055e+03    1.96273e+04    1.31123e+04    1.10164e+03   -3.17249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78108e+03    9.29543e+04    4.02309e+05   -2.34164e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61233e+04   -2.44836e+06    4.81248e+05   -1.96711e+06    2.50793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12001e+02   -2.07821e+02    9.56939e+01    5.79806e-06


DD  step 235494999 load imb.: force 18.1%  pme mesh/force 0.751
           Step           Time
      235495000   470990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83200e+03    1.94034e+04    1.31918e+04    1.21767e+03   -3.13581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85665e+03    9.25177e+04    4.02258e+05   -2.34062e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63428e+04   -2.44671e+06    4.81962e+05   -1.96475e+06    2.50798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12465e+02   -2.07641e+02    1.02395e+02    5.75099e-06


DD  step 235499999 load imb.: force 17.1%  pme mesh/force 0.758
           Step           Time
      235500000   471000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86214e+03    1.94454e+04    1.30041e+04    1.18720e+03   -3.12611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90588e+03    9.28106e+04    3.98579e+05   -2.33769e+04   -2.97300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65480e+04   -2.44516e+06    4.78486e+05   -1.96668e+06    2.50804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.07122e+02    7.48351e+00    5.62119e-06


DD  step 235504999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      235505000   471010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09728e+03    1.92650e+04    1.30744e+04    1.22593e+03   -3.10662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00319e+03    9.24050e+04    4.00843e+05   -2.33916e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64836e+04   -2.44454e+06    4.79707e+05   -1.96484e+06    2.50810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11003e+02   -2.07381e+02    4.56039e+01    5.68467e-06


DD  step 235509999 load imb.: force 15.8%  pme mesh/force 0.708
           Step           Time
      235510000   471020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04028e+03    1.96749e+04    1.29586e+04    1.27529e+03   -3.06783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72121e+03    9.21119e+04    3.98975e+05   -2.33468e+04   -2.97373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62080e+04   -2.44618e+06    4.80226e+05   -1.96595e+06    2.50816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11339e+02   -2.06590e+02   -7.37541e+01    5.57252e-06


DD  step 235514999 load imb.: force 16.1%  pme mesh/force 0.723
           Step           Time
      235515000   471030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20499e+03    1.95809e+04    1.31285e+04    1.13640e+03   -3.08392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78558e+03    9.18335e+04    3.99336e+05   -2.34399e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62989e+04   -2.44823e+06    4.80964e+05   -1.96727e+06    2.50822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.08239e+02    3.14806e+00    5.66736e-06


DD  step 235519999 load imb.: force 15.8%  pme mesh/force 0.742
           Step           Time
      235520000   471040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79386e+03    1.96916e+04    1.29741e+04    1.13314e+03   -2.89900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98159e+03    9.30928e+04    3.98140e+05   -2.33572e+04   -2.97381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65364e+04   -2.44572e+06    4.81125e+05   -1.96460e+06    2.50828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11922e+02   -2.06773e+02   -4.91243e+00    5.70266e-06


DD  step 235524999 load imb.: force 16.4%  pme mesh/force 0.727
           Step           Time
      235525000   471050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82176e+03    1.94959e+04    1.31231e+04    1.18597e+03   -3.15136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83634e+03    9.27663e+04    3.99730e+05   -2.33127e+04   -2.97461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67682e+04   -2.44535e+06    4.77817e+05   -1.96753e+06    2.50834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09777e+02   -2.05988e+02   -4.47023e+01    5.81703e-06


DD  step 235529999 load imb.: force 17.8%  pme mesh/force 0.724
           Step           Time
      235530000   471060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98519e+03    1.97356e+04    1.31540e+04    1.24273e+03   -3.08900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77133e+03    9.26196e+04    4.00533e+05   -2.33946e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65212e+04   -2.44780e+06    4.79903e+05   -1.96789e+06    2.50839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11130e+02   -2.07435e+02   -3.14219e+01    5.82787e-06


DD  step 235534999 load imb.: force 16.8%  pme mesh/force 0.765
           Step           Time
      235535000   471070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89581e+03    1.95427e+04    1.30151e+04    1.21467e+03   -3.08455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86848e+03    9.31491e+04    3.99732e+05   -2.34157e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66919e+04   -2.44912e+06    4.81442e+05   -1.96767e+06    2.50845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12127e+02   -2.07810e+02   -2.37981e+01    5.74164e-06


DD  step 235539999 load imb.: force 16.9%  pme mesh/force 0.724
           Step           Time
      235540000   471080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92010e+03    1.93353e+04    1.30453e+04    1.24487e+03   -3.14082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85940e+03    9.28318e+04    4.00909e+05   -2.34007e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65906e+04   -2.44865e+06    4.79375e+05   -1.96927e+06    2.50851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.07544e+02    4.22131e+00    5.75465e-06


DD  step 235544999 load imb.: force 15.3%  pme mesh/force 0.711
           Step           Time
      235545000   471090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15552e+03    1.92476e+04    1.29996e+04    1.10682e+03   -3.10942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75184e+03    9.27339e+04    3.99484e+05   -2.33857e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65889e+04   -2.44820e+06    4.78423e+05   -1.96977e+06    2.50857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10170e+02   -2.07278e+02   -8.34468e+00    5.72931e-06


DD  step 235549999 load imb.: force 20.7%  pme mesh/force 0.743
           Step           Time
      235550000   471100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16114e+03    1.95270e+04    1.32658e+04    1.14794e+03   -3.19853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85749e+03    9.23373e+04    3.98149e+05   -2.33270e+04   -2.97307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66204e+04   -2.44553e+06    4.81686e+05   -1.96384e+06    2.50862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12285e+02   -2.06240e+02   -1.29075e+02    5.74367e-06


DD  step 235554999 load imb.: force 15.5%  pme mesh/force 0.720
           Step           Time
      235555000   471110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09028e+03    1.95881e+04    1.31331e+04    1.15010e+03   -3.08167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94144e+03    9.22394e+04    4.00700e+05   -2.33827e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66276e+04   -2.44599e+06    4.81099e+05   -1.96489e+06    2.50868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11905e+02   -2.07225e+02    3.64977e+01    5.60103e-06


DD  step 235559999 load imb.: force 18.0%  pme mesh/force 0.766
           Step           Time
      235560000   471120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98204e+03    1.97956e+04    1.32665e+04    1.23775e+03   -3.32907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85853e+03    9.20931e+04    3.99021e+05   -2.33747e+04   -2.97302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64973e+04   -2.44497e+06    4.81845e+05   -1.96312e+06    2.50874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12389e+02   -2.07083e+02   -1.05935e+01    5.67937e-06


DD  step 235564999 load imb.: force 17.1%  pme mesh/force 0.729
           Step           Time
      235565000   471130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08539e+03    1.94662e+04    1.31040e+04    1.16179e+03   -3.15448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77688e+03    9.27494e+04    3.99267e+05   -2.32905e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66565e+04   -2.44679e+06    4.79405e+05   -1.96738e+06    2.50880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10807e+02   -2.05596e+02   -1.27662e+02    5.69409e-06


DD  step 235569999 load imb.: force 16.7%  pme mesh/force 0.729
           Step           Time
      235570000   471140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85947e+03    1.95385e+04    1.31638e+04    1.22425e+03   -3.11367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94418e+03    9.28153e+04    3.98514e+05   -2.33668e+04   -2.97040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68415e+04   -2.44198e+06    4.81357e+05   -1.96062e+06    2.50885e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12072e+02   -2.06944e+02   -4.62099e+00    5.63505e-06


DD  step 235574999 load imb.: force 15.1%  pme mesh/force 0.714
           Step           Time
      235575000   471150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93352e+03    1.94929e+04    1.31472e+04    1.18667e+03   -3.09192e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79872e+03    9.27073e+04    4.02272e+05   -2.33944e+04   -2.98295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64003e+04   -2.45150e+06    4.79143e+05   -1.97235e+06    2.50891e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10637e+02   -2.07433e+02    1.29591e+01    5.75370e-06


DD  step 235579999 load imb.: force 18.4%  pme mesh/force 0.762
           Step           Time
      235580000   471160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87433e+03    1.97522e+04    1.30975e+04    1.15522e+03   -3.00423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80152e+03    9.27433e+04    3.99477e+05   -2.33955e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64329e+04   -2.44658e+06    4.78861e+05   -1.96772e+06    2.50897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10454e+02   -2.07452e+02   -2.43725e+01    5.79257e-06


DD  step 235584999 load imb.: force 18.8%  pme mesh/force 0.752
           Step           Time
      235585000   471170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77147e+03    1.90939e+04    1.31168e+04    1.27917e+03   -3.02306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80433e+03    9.32621e+04    3.98972e+05   -2.33716e+04   -2.97319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65388e+04   -2.44475e+06    4.80284e+05   -1.96447e+06    2.50902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11377e+02   -2.07028e+02   -3.74883e+00    5.63630e-06


DD  step 235589999 load imb.: force 16.7%  pme mesh/force 0.744
           Step           Time
      235590000   471180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.45104e+03    1.92971e+04    1.30359e+04    1.17443e+03   -3.02749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.56634e+03    9.25841e+04    3.96899e+05   -2.33739e+04   -2.97139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63131e+04   -2.44547e+06    4.78153e+05   -1.96732e+06    2.50908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09995e+02   -2.07068e+02   -1.55429e+02    5.66356e-06


DD  step 235594999 load imb.: force 18.0%  pme mesh/force 0.754
           Step           Time
      235595000   471190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02956e+03    1.95269e+04    1.30458e+04    1.14920e+03   -2.99287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86326e+03    9.24058e+04    4.02202e+05   -2.33695e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63852e+04   -2.44785e+06    4.78485e+05   -1.96936e+06    2.50914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10210e+02   -2.06991e+02    4.51526e+01    5.72969e-06


DD  step 235599999 load imb.: force 17.8%  pme mesh/force 0.727
           Step           Time
      235600000   471200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98940e+03    1.93028e+04    1.32318e+04    1.13704e+03   -3.04569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84149e+03    9.25136e+04    4.00370e+05   -2.34567e+04   -2.97904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64807e+04   -2.44968e+06    4.78665e+05   -1.97101e+06    2.50920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10327e+02   -2.08536e+02    2.21953e+01    5.73440e-06


DD  step 235604999 load imb.: force 18.1%  pme mesh/force 0.766
           Step           Time
      235605000   471210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75676e+03    1.92520e+04    1.30652e+04    1.11825e+03   -3.11220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91356e+03    9.27985e+04    3.99370e+05   -2.33726e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64598e+04   -2.45074e+06    4.79322e+05   -1.97141e+06    2.50925e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.07046e+02   -5.01748e+01    5.72710e-06


DD  step 235609999 load imb.: force 16.1%  pme mesh/force 0.751
           Step           Time
      235610000   471220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98033e+03    1.96992e+04    1.31079e+04    1.14581e+03   -3.06116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91902e+03    9.30987e+04    3.99966e+05   -2.34079e+04   -2.97508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.60274e+04   -2.44560e+06    4.78065e+05   -1.96754e+06    2.50931e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.07671e+02    6.48155e+00    5.54648e-06


DD  step 235614999 load imb.: force 16.8%  pme mesh/force 0.768
           Step           Time
      235615000   471230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84134e+03    1.94963e+04    1.30933e+04    1.18813e+03   -3.14002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82893e+03    9.24007e+04    4.01920e+05   -2.34076e+04   -2.98072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64341e+04   -2.45006e+06    4.77239e+05   -1.97282e+06    2.50937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09403e+02   -2.07665e+02    4.03181e+01    5.63135e-06


DD  step 235619999 load imb.: force 18.5%  pme mesh/force 0.773
           Step           Time
      235620000   471240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13937e+03    1.94017e+04    1.30415e+04    1.14107e+03   -3.18977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80806e+03    9.20814e+04    3.98377e+05   -2.33850e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63395e+04   -2.45034e+06    4.77425e+05   -1.97292e+06    2.50943e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09523e+02   -2.07266e+02   -1.02792e+02    5.61011e-06


DD  step 235624999 load imb.: force 15.8%  pme mesh/force 0.720
           Step           Time
      235625000   471250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99311e+03    1.94931e+04    1.30767e+04    1.18944e+03   -3.05420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75176e+03    9.25384e+04    4.01399e+05   -2.34208e+04   -2.98056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64270e+04   -2.45016e+06    4.79607e+05   -1.97056e+06    2.50948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.07900e+02    1.57258e+01    5.57011e-06


DD  step 235629999 load imb.: force 19.3%  pme mesh/force 0.799
           Step           Time
      235630000   471260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93760e+03    1.96810e+04    1.32715e+04    1.14047e+03   -3.08565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88415e+03    9.25962e+04    3.99589e+05   -2.33953e+04   -2.97372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64796e+04   -2.44462e+06    4.81727e+05   -1.96289e+06    2.50954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12312e+02   -2.07448e+02    3.42053e+01    5.63664e-06


DD  step 235634999 load imb.: force 17.9%  pme mesh/force 0.745
           Step           Time
      235635000   471270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95581e+03    1.92766e+04    1.31519e+04    1.27559e+03   -3.15762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98451e+03    9.23743e+04    4.01505e+05   -2.33302e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67121e+04   -2.44532e+06    4.79343e+05   -1.96597e+06    2.50960e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10767e+02   -2.06296e+02   -4.21413e+00    5.71750e-06


DD  step 235639999 load imb.: force 19.6%  pme mesh/force 0.775
           Step           Time
      235640000   471280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05084e+03    1.93298e+04    1.29646e+04    1.21935e+03   -3.10551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92561e+03    9.26632e+04    3.98746e+05   -2.33527e+04   -2.97308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66261e+04   -2.44501e+06    4.79777e+05   -1.96523e+06    2.50966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11048e+02   -2.06694e+02   -1.78297e+01    5.56015e-06


DD  step 235644999 load imb.: force 15.9%  pme mesh/force 0.736
           Step           Time
      235645000   471290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00046e+03    1.89602e+04    1.31729e+04    1.31800e+03   -3.09923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92834e+03    9.24912e+04    4.02855e+05   -2.34107e+04   -2.97997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63850e+04   -2.44837e+06    4.81711e+05   -1.96666e+06    2.50971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12302e+02   -2.07721e+02    9.25719e+01    5.65574e-06


DD  step 235649999 load imb.: force 17.2%  pme mesh/force 0.781
           Step           Time
      235650000   471300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03268e+03    1.95225e+04    1.31139e+04    1.09890e+03   -3.05534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69350e+03    9.25417e+04    3.98124e+05   -2.33531e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67258e+04   -2.44656e+06    4.79310e+05   -1.96725e+06    2.50977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10745e+02   -2.06701e+02   -9.87498e+01    5.85377e-06


DD  step 235654999 load imb.: force 18.8%  pme mesh/force 0.747
           Step           Time
      235655000   471310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04609e+03    1.92855e+04    1.32956e+04    1.16993e+03   -3.17388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78104e+03    9.20900e+04    4.00669e+05   -2.33984e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64073e+04   -2.44689e+06    4.81199e+05   -1.96569e+06    2.50983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11970e+02   -2.07502e+02   -5.16602e+00    5.59116e-06


DD  step 235659999 load imb.: force 15.6%  pme mesh/force 0.718
           Step           Time
      235660000   471320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01655e+03    1.93658e+04    1.28848e+04    1.19077e+03   -3.05729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92995e+03    9.27767e+04    4.01341e+05   -2.33937e+04   -2.98038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65077e+04   -2.44982e+06    4.81532e+05   -1.96828e+06    2.50989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12186e+02   -2.07420e+02    2.81790e+01    5.65950e-06


DD  step 235664999 load imb.: force 17.8%  pme mesh/force 0.772
           Step           Time
      235665000   471330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10873e+03    1.98538e+04    1.32085e+04    1.21599e+03   -3.18871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87913e+03    9.24915e+04    3.99383e+05   -2.33407e+04   -2.97079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67281e+04   -2.44145e+06    4.81002e+05   -1.96045e+06    2.50995e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11842e+02   -2.06481e+02   -3.07158e+01    5.79994e-06


DD  step 235669999 load imb.: force 17.2%  pme mesh/force 0.730
           Step           Time
      235670000   471340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79138e+03    1.94678e+04    1.31287e+04    1.20047e+03   -3.12282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64014e+03    9.27086e+04    3.99915e+05   -2.33288e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65776e+04   -2.44823e+06    4.78482e+05   -1.96975e+06    2.51000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10208e+02   -2.06271e+02   -2.38387e+01    5.62133e-06


DD  step 235674999 load imb.: force 14.9%  pme mesh/force 0.729
           Step           Time
      235675000   471350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23779e+03    1.94868e+04    1.32062e+04    1.19397e+03   -3.12733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84051e+03    9.26734e+04    4.02997e+05   -2.33522e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66285e+04   -2.44489e+06    4.81945e+05   -1.96295e+06    2.51006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12453e+02   -2.06685e+02    6.91010e+01    5.72288e-06


DD  step 235679999 load imb.: force 15.9%  pme mesh/force 0.735
           Step           Time
      235680000   471360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94284e+03    1.91096e+04    1.33686e+04    1.17810e+03   -3.07639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82081e+03    9.30913e+04    4.03409e+05   -2.33987e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64852e+04   -2.44505e+06    4.78630e+05   -1.96642e+06    2.51012e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10304e+02   -2.07508e+02    8.80387e+01    5.63202e-06


DD  step 235684999 load imb.: force 16.4%  pme mesh/force 0.727
           Step           Time
      235685000   471370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96556e+03    1.92698e+04    1.29335e+04    1.12131e+03   -3.04390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85503e+03    9.28421e+04    4.03251e+05   -2.33857e+04   -2.98089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63309e+04   -2.44875e+06    4.81246e+05   -1.96750e+06    2.51017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12000e+02   -2.07277e+02    4.41076e+01    5.44396e-06


DD  step 235689999 load imb.: force 17.4%  pme mesh/force 0.755
           Step           Time
      235690000   471380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14866e+03    1.91897e+04    1.29218e+04    1.30934e+03   -3.05672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82760e+03    9.28759e+04    4.00206e+05   -2.34238e+04   -2.97961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66333e+04   -2.44998e+06    4.79819e+05   -1.97016e+06    2.51024e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11075e+02   -2.07952e+02   -1.98000e+01    5.43597e-06


DD  step 235694999 load imb.: force 18.7%  pme mesh/force 0.768
           Step           Time
      235695000   471390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85489e+03    1.95308e+04    1.29555e+04    1.19512e+03   -2.94506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88372e+03    9.27492e+04    4.02351e+05   -2.34032e+04   -2.97896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65682e+04   -2.44722e+06    4.77289e+05   -1.96993e+06    2.51030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09435e+02   -2.07588e+02    7.03762e+01    5.52084e-06


DD  step 235699999 load imb.: force 16.7%  pme mesh/force 0.733
           Step           Time
      235700000   471400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81448e+03    1.93297e+04    1.30564e+04    1.20742e+03   -3.12892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93742e+03    9.27839e+04    4.03020e+05   -2.34407e+04   -2.98202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64050e+04   -2.45004e+06    4.80065e+05   -1.96997e+06    2.51035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11234e+02   -2.08253e+02    1.18750e+02    5.45989e-06


DD  step 235704999 load imb.: force 16.5%  pme mesh/force 0.748
           Step           Time
      235705000   471410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01646e+03    1.92112e+04    1.29419e+04    1.17576e+03   -2.98223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89994e+03    9.21997e+04    3.99118e+05   -2.33583e+04   -2.97435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65628e+04   -2.44657e+06    4.78654e+05   -1.96791e+06    2.51041e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10320e+02   -2.06793e+02   -4.77496e+00    5.50324e-06


DD  step 235709999 load imb.: force 15.4%  pme mesh/force 0.710
           Step           Time
      235710000   471420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91104e+03    1.92883e+04    1.30846e+04    1.20243e+03   -3.01695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78607e+03    9.26385e+04    4.03160e+05   -2.33940e+04   -2.98164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64635e+04   -2.44952e+06    4.80391e+05   -1.96913e+06    2.51047e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11446e+02   -2.07424e+02    2.49516e+01    5.55160e-06


DD  step 235714999 load imb.: force 16.9%  pme mesh/force 0.724
           Step           Time
      235715000   471430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08725e+03    1.91975e+04    1.31873e+04    1.25611e+03   -3.05730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91247e+03    9.23458e+04    3.98746e+05   -2.33928e+04   -2.97396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65757e+04   -2.44610e+06    4.80325e+05   -1.96578e+06    2.51052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11403e+02   -2.07404e+02    4.09827e+01    5.37919e-06


DD  step 235719999 load imb.: force 16.0%  pme mesh/force 0.756
           Step           Time
      235720000   471440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96771e+03    1.96696e+04    1.31200e+04    1.20355e+03   -2.99626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89441e+03    9.27555e+04    3.97063e+05   -2.33566e+04   -2.97244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64144e+04   -2.44570e+06    4.80992e+05   -1.96471e+06    2.51058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11836e+02   -2.06763e+02   -1.00336e+02    5.50415e-06


DD  step 235724999 load imb.: force 16.3%  pme mesh/force 0.762
           Step           Time
      235725000   471450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17662e+03    1.98448e+04    1.28613e+04    1.23041e+03   -3.01993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76114e+03    9.22847e+04    3.96958e+05   -2.33587e+04   -2.96946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66271e+04   -2.44310e+06    4.81552e+05   -1.96154e+06    2.51064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12199e+02   -2.06800e+02   -5.27952e+01    5.44439e-06


DD  step 235729999 load imb.: force 17.5%  pme mesh/force 0.772
           Step           Time
      235730000   471460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07621e+03    1.96014e+04    1.32291e+04    1.16099e+03   -3.10264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91209e+03    9.29243e+04    3.99365e+05   -2.34161e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65358e+04   -2.44573e+06    4.82084e+05   -1.96365e+06    2.51070e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12544e+02   -2.07816e+02   -9.00897e+00    5.54161e-06


DD  step 235734999 load imb.: force 17.7%  pme mesh/force 0.759
           Step           Time
      235735000   471470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01736e+03    1.94523e+04    1.31958e+04    1.19940e+03   -3.18910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85468e+03    9.27661e+04    4.00692e+05   -2.34153e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63038e+04   -2.44668e+06    4.78305e+05   -1.96838e+06    2.51076e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10094e+02   -2.07801e+02    2.11779e+01    5.59039e-06


DD  step 235739999 load imb.: force 18.1%  pme mesh/force 0.723
           Step           Time
      235740000   471480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21963e+03    1.93477e+04    1.31144e+04    1.26491e+03   -3.10072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74899e+03    9.25212e+04    3.98999e+05   -2.33965e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64220e+04   -2.44640e+06    4.78285e+05   -1.96812e+06    2.51082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10081e+02   -2.07469e+02   -8.47757e+01    5.62613e-06


DD  step 235744999 load imb.: force 17.3%  pme mesh/force 0.714
           Step           Time
      235745000   471490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03522e+03    1.95107e+04    1.32434e+04    1.14891e+03   -3.08264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70339e+03    9.25618e+04    4.00535e+05   -2.33789e+04   -2.97684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65664e+04   -2.44700e+06    4.77844e+05   -1.96915e+06    2.51088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09795e+02   -2.07157e+02   -1.64112e+01    5.52549e-06


DD  step 235749999 load imb.: force 17.8%  pme mesh/force 0.742
           Step           Time
      235750000   471500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11706e+03    1.96557e+04    1.28897e+04    1.17261e+03   -3.12532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82203e+03    9.28899e+04    4.03930e+05   -2.33841e+04   -2.98329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64542e+04   -2.44987e+06    4.80034e+05   -1.96984e+06    2.51093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11214e+02   -2.07249e+02    7.39548e+01    5.61170e-06


DD  step 235754999 load imb.: force 16.1%  pme mesh/force 0.759
           Step           Time
      235755000   471510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95345e+03    1.96811e+04    1.28874e+04    1.16455e+03   -2.99858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94404e+03    9.26681e+04    3.98873e+05   -2.33412e+04   -2.97201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65691e+04   -2.44361e+06    4.78292e+05   -1.96532e+06    2.51100e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10085e+02   -2.06491e+02    1.39471e+01    5.59389e-06


DD  step 235759999 load imb.: force 16.1%  pme mesh/force 0.760
           Step           Time
      235760000   471520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02278e+03    1.92270e+04    1.31744e+04    1.14794e+03   -3.06272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85415e+03    9.26733e+04    4.00813e+05   -2.33846e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64956e+04   -2.44843e+06    4.80049e+05   -1.96838e+06    2.51104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.07259e+02   -3.16142e+01    5.53444e-06


DD  step 235764999 load imb.: force 16.4%  pme mesh/force 0.729
           Step           Time
      235765000   471530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05294e+03    1.95386e+04    1.30554e+04    1.14768e+03   -2.94256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77461e+03    9.24655e+04    4.00105e+05   -2.33968e+04   -2.97517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63414e+04   -2.44602e+06    4.80932e+05   -1.96509e+06    2.51110e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11797e+02   -2.07474e+02   -1.64158e+01    5.66244e-06


DD  step 235769999 load imb.: force 17.5%  pme mesh/force 0.737
           Step           Time
      235770000   471540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76398e+03    1.99010e+04    1.28088e+04    1.22940e+03   -2.98265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79326e+03    9.25307e+04    4.02673e+05   -2.33545e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64493e+04   -2.44641e+06    4.81550e+05   -1.96486e+06    2.51116e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12198e+02   -2.06727e+02    5.87111e+01    5.57485e-06


DD  step 235774999 load imb.: force 16.3%  pme mesh/force 0.715
           Step           Time
      235775000   471550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01035e+03    1.93036e+04    1.32264e+04    1.22684e+03   -3.09154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86193e+03    9.22998e+04    4.00704e+05   -2.34171e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63620e+04   -2.44486e+06    4.78961e+05   -1.96590e+06    2.51122e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.07834e+02    7.04458e+01    5.71361e-06


DD  step 235779999 load imb.: force 17.3%  pme mesh/force 0.725
           Step           Time
      235780000   471560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01214e+03    1.96606e+04    1.30142e+04    1.16155e+03   -3.06202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86292e+03    9.25289e+04    3.99502e+05   -2.33386e+04   -2.97361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66042e+04   -2.44467e+06    4.82395e+05   -1.96227e+06    2.51128e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12745e+02   -2.06445e+02   -6.81595e-01    5.53598e-06


DD  step 235784999 load imb.: force 17.4%  pme mesh/force 0.749
           Step           Time
      235785000   471570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77572e+03    1.92156e+04    1.30104e+04    1.12722e+03   -3.08705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92495e+03    9.29976e+04    4.01559e+05   -2.34130e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63143e+04   -2.44934e+06    4.78225e+05   -1.97111e+06    2.51133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10042e+02   -2.07762e+02    4.66335e+01    5.80636e-06


DD  step 235789999 load imb.: force 17.6%  pme mesh/force 0.782
           Step           Time
      235790000   471580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05854e+03    1.98578e+04    1.32992e+04    1.18738e+03   -3.19713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75256e+03    9.19465e+04    4.00146e+05   -2.33666e+04   -2.97416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66219e+04   -2.44485e+06    4.81784e+05   -1.96307e+06    2.51139e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12349e+02   -2.06940e+02   -2.91723e+01    5.68141e-06

Writing checkpoint, step 235792750 at Wed Nov  8 07:16:28 2023



DD  step 235794999 load imb.: force 18.1%  pme mesh/force 0.726
           Step           Time
      235795000   471590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99744e+03    1.94309e+04    1.30390e+04    1.18603e+03   -3.05482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80976e+03    9.25402e+04    4.00147e+05   -2.33622e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64953e+04   -2.44710e+06    4.78620e+05   -1.96848e+06    2.51145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.06861e+02    6.62582e-01    5.68286e-06


DD  step 235799999 load imb.: force 17.4%  pme mesh/force 0.763
           Step           Time
      235800000   471600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09227e+03    1.96466e+04    1.31318e+04    1.12909e+03   -3.09644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95987e+03    9.26715e+04    4.02926e+05   -2.33885e+04   -2.98137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66231e+04   -2.44867e+06    4.79418e+05   -1.96925e+06    2.51151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10815e+02   -2.07327e+02    5.24182e+01    5.63999e-06


DD  step 235804999 load imb.: force 18.7%  pme mesh/force 0.734
           Step           Time
      235805000   471610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84776e+03    1.96192e+04    1.30596e+04    1.27912e+03   -3.13193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84503e+03    9.29417e+04    4.01313e+05   -2.33934e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65192e+04   -2.44583e+06    4.80129e+05   -1.96571e+06    2.51156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11276e+02   -2.07413e+02    5.45588e+01    5.48246e-06


DD  step 235809999 load imb.: force 19.2%  pme mesh/force 0.761
           Step           Time
      235810000   471620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99415e+03    1.94995e+04    1.27752e+04    1.13321e+03   -2.99796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86196e+03    9.26978e+04    4.01933e+05   -2.33919e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63599e+04   -2.44833e+06    4.78335e+05   -1.97000e+06    2.51163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10113e+02   -2.07388e+02    3.76445e+01    5.53076e-06


DD  step 235814999 load imb.: force 17.7%  pme mesh/force 0.745
           Step           Time
      235815000   471630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97438e+03    1.95388e+04    1.30407e+04    1.22647e+03   -3.13906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81058e+03    9.24290e+04    4.00356e+05   -2.33424e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63236e+04   -2.44844e+06    4.78407e+05   -1.97004e+06    2.51168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10160e+02   -2.06512e+02   -5.39133e+01    5.45556e-06


DD  step 235819999 load imb.: force 20.2%  pme mesh/force 0.783
           Step           Time
      235820000   471640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86473e+03    1.96913e+04    1.30177e+04    1.13384e+03   -3.10140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83138e+03    9.27217e+04    3.97081e+05   -2.33461e+04   -2.97164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64386e+04   -2.44530e+06    4.79620e+05   -1.96568e+06    2.51174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.06576e+02   -9.18098e+01    5.46436e-06


DD  step 235824999 load imb.: force 19.5%  pme mesh/force 0.790
           Step           Time
      235825000   471650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09452e+03    1.93740e+04    1.29831e+04    1.21683e+03   -3.13292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90044e+03    9.25140e+04    3.98582e+05   -2.33719e+04   -2.97676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65164e+04   -2.44909e+06    4.79172e+05   -1.96992e+06    2.51180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10656e+02   -2.07033e+02   -6.65405e+01    5.50582e-06


DD  step 235829999 load imb.: force 17.4%  pme mesh/force 0.783
           Step           Time
      235830000   471660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81857e+03    1.94008e+04    1.31761e+04    1.14400e+03   -3.17397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97758e+03    9.29704e+04    3.99010e+05   -2.33362e+04   -2.97315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64686e+04   -2.44470e+06    4.80301e+05   -1.96440e+06    2.51185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11388e+02   -2.06402e+02    9.31386e+00    5.55545e-06


DD  step 235834999 load imb.: force 14.4%  pme mesh/force 0.714
           Step           Time
      235835000   471670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02556e+03    1.87449e+04    1.32925e+04    1.21107e+03   -3.06187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90519e+03    9.28936e+04    3.99223e+05   -2.34279e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63109e+04   -2.44960e+06    4.80158e+05   -1.96944e+06    2.51191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11295e+02   -2.08026e+02   -5.54399e+01    5.33022e-06


DD  step 235839999 load imb.: force 17.6%  pme mesh/force 0.745
           Step           Time
      235840000   471680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93962e+03    1.91646e+04    1.30702e+04    1.13358e+03   -3.05427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82315e+03    9.27089e+04    4.02069e+05   -2.33884e+04   -2.98271e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64777e+04   -2.45176e+06    4.80411e+05   -1.97135e+06    2.51196e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11459e+02   -2.07325e+02    8.12361e+00    5.47415e-06


DD  step 235844999 load imb.: force 18.8%  pme mesh/force 0.752
           Step           Time
      235845000   471690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97909e+03    1.93877e+04    1.29612e+04    1.15321e+03   -2.99984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80166e+03    9.25300e+04    4.04060e+05   -2.33902e+04   -2.98075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64986e+04   -2.44777e+06    4.80516e+05   -1.96725e+06    2.51202e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11527e+02   -2.07357e+02    4.84953e+01    5.39803e-06


DD  step 235849999 load imb.: force 17.3%  pme mesh/force 0.762
           Step           Time
      235850000   471700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81495e+03    1.94634e+04    1.30920e+04    1.16980e+03   -3.13056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96281e+03    9.29907e+04    3.97455e+05   -2.33792e+04   -2.97150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65012e+04   -2.44456e+06    4.79600e+05   -1.96496e+06    2.51208e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.07163e+02   -2.61464e+00    5.41189e-06


DD  step 235854999 load imb.: force 18.6%  pme mesh/force 0.723
           Step           Time
      235855000   471710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14390e+03    1.95607e+04    1.30315e+04    1.14165e+03   -2.98348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72421e+03    9.27897e+04    4.00599e+05   -2.33972e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65390e+04   -2.44826e+06    4.79690e+05   -1.96857e+06    2.51213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10992e+02   -2.07481e+02   -3.96537e+01    5.48695e-06


DD  step 235859999 load imb.: force 16.2%  pme mesh/force 0.740
           Step           Time
      235860000   471720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12048e+03    1.96034e+04    1.34000e+04    1.16653e+03   -3.12718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85108e+03    9.22281e+04    4.02074e+05   -2.33844e+04   -2.97927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67056e+04   -2.44763e+06    4.81383e+05   -1.96624e+06    2.51219e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12089e+02   -2.07255e+02    4.59273e+01    5.50770e-06


DD  step 235864999 load imb.: force 17.4%  pme mesh/force 0.747
           Step           Time
      235865000   471730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90999e+03    2.00555e+04    1.29001e+04    1.03977e+03   -3.09151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83375e+03    9.27295e+04    4.03448e+05   -2.34371e+04   -2.98060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63629e+04   -2.44785e+06    4.82100e+05   -1.96575e+06    2.51225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12554e+02   -2.08188e+02    1.39377e+02    5.36728e-06


DD  step 235869999 load imb.: force 18.5%  pme mesh/force 0.726
           Step           Time
      235870000   471740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10840e+03    1.95674e+04    1.30206e+04    1.25386e+03   -3.14050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88069e+03    9.22801e+04    4.00775e+05   -2.33938e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66455e+04   -2.44643e+06    4.79710e+05   -1.96672e+06    2.51231e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11005e+02   -2.07421e+02    1.94257e+01    5.42178e-06


DD  step 235874999 load imb.: force 18.5%  pme mesh/force 0.769
           Step           Time
      235875000   471750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16490e+03    1.96829e+04    1.29103e+04    1.27679e+03   -3.09301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83478e+03    9.27337e+04    4.01315e+05   -2.34257e+04   -2.97819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64168e+04   -2.44737e+06    4.80358e+05   -1.96701e+06    2.51237e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11425e+02   -2.07986e+02    3.36450e+01    5.67017e-06


DD  step 235879999 load imb.: force 16.8%  pme mesh/force 0.742
           Step           Time
      235880000   471760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82247e+03    1.92563e+04    1.31442e+04    1.16655e+03   -3.15793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91708e+03    9.27596e+04    4.01176e+05   -2.34257e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64935e+04   -2.44869e+06    4.78884e+05   -1.96980e+06    2.51242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.07987e+02    2.62364e+01    5.80355e-06


DD  step 235884999 load imb.: force 19.7%  pme mesh/force 0.783
           Step           Time
      235885000   471770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16910e+03    1.93116e+04    1.32074e+04    1.17533e+03   -3.08445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87173e+03    9.21984e+04    4.01295e+05   -2.33937e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64446e+04   -2.44756e+06    4.80139e+05   -1.96742e+06    2.51248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.07419e+02    1.52716e+01    5.49749e-06


DD  step 235889999 load imb.: force 16.3%  pme mesh/force 0.697
           Step           Time
      235890000   471780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94649e+03    1.95377e+04    1.32200e+04    1.27866e+03   -3.07090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89851e+03    9.26043e+04    4.03864e+05   -2.33949e+04   -2.98145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66989e+04   -2.44787e+06    4.78543e+05   -1.96933e+06    2.51254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10248e+02   -2.07442e+02    1.17757e+02    5.50668e-06


DD  step 235894999 load imb.: force 17.1%  pme mesh/force 0.755
           Step           Time
      235895000   471790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.39764e+03    1.96718e+04    1.31843e+04    1.26329e+03   -3.07554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73912e+03    9.23411e+04    3.98098e+05   -2.33821e+04   -2.97263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64707e+04   -2.44492e+06    4.79958e+05   -1.96496e+06    2.51260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11165e+02   -2.07214e+02   -7.92523e+01    5.52004e-06


DD  step 235899999 load imb.: force 17.0%  pme mesh/force 0.706
           Step           Time
      235900000   471800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78952e+03    1.95483e+04    1.31904e+04    1.17322e+03   -3.11250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94397e+03    9.27344e+04    4.01774e+05   -2.33824e+04   -2.97927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63971e+04   -2.44822e+06    4.79787e+05   -1.96843e+06    2.51265e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11055e+02   -2.07220e+02    7.05558e+01    5.35945e-06


DD  step 235904999 load imb.: force 15.7%  pme mesh/force 0.714
           Step           Time
      235905000   471810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00037e+03    1.96046e+04    1.30399e+04    1.14254e+03   -3.06978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88980e+03    9.26965e+04    4.01421e+05   -2.34274e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66733e+04   -2.44730e+06    4.80772e+05   -1.96653e+06    2.51272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11693e+02   -2.08016e+02    7.29519e+01    5.43348e-06


DD  step 235909999 load imb.: force 17.7%  pme mesh/force 0.748
           Step           Time
      235910000   471820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01334e+03    1.98468e+04    1.30393e+04    1.20710e+03   -3.03536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78168e+03    9.27898e+04    4.00110e+05   -2.33436e+04   -2.97158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66260e+04   -2.44154e+06    4.77276e+05   -1.96427e+06    2.51278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09427e+02   -2.06533e+02   -1.27643e+01    5.33326e-06


DD  step 235914999 load imb.: force 19.9%  pme mesh/force 0.748
           Step           Time
      235915000   471830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88406e+03    1.92908e+04    1.30430e+04    1.13456e+03   -3.10047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92914e+03    9.29943e+04    4.01211e+05   -2.33676e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64677e+04   -2.44450e+06    4.79908e+05   -1.96459e+06    2.51283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11133e+02   -2.06958e+02    9.51040e+01    5.62990e-06


DD  step 235919999 load imb.: force 16.2%  pme mesh/force 0.729
           Step           Time
      235920000   471840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96741e+03    1.93831e+04    1.30443e+04    1.14091e+03   -3.15520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83007e+03    9.23735e+04    4.01184e+05   -2.33904e+04   -2.97840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64843e+04   -2.44854e+06    4.80068e+05   -1.96847e+06    2.51289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11237e+02   -2.07361e+02    4.31171e+01    5.59533e-06


DD  step 235924999 load imb.: force 18.4%  pme mesh/force 0.726
           Step           Time
      235925000   471850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79158e+03    1.93698e+04    1.31954e+04    1.14847e+03   -3.09665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88742e+03    9.26537e+04    4.03521e+05   -2.33707e+04   -2.97982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65395e+04   -2.44718e+06    4.80267e+05   -1.96691e+06    2.51295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11365e+02   -2.07013e+02    9.51189e+01    5.44523e-06


DD  step 235929999 load imb.: force 18.8%  pme mesh/force 0.736
           Step           Time
      235930000   471860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10764e+03    1.91256e+04    1.33180e+04    1.14064e+03   -3.10509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93572e+03    9.25986e+04    4.01152e+05   -2.34437e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67750e+04   -2.44750e+06    4.79479e+05   -1.96803e+06    2.51301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10855e+02   -2.08306e+02    5.17952e+01    5.69213e-06


DD  step 235934999 load imb.: force 17.7%  pme mesh/force 0.712
           Step           Time
      235935000   471870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91836e+03    1.93224e+04    1.30870e+04    1.22091e+03   -3.07295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82104e+03    9.22884e+04    3.98804e+05   -2.33782e+04   -2.97278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64670e+04   -2.44531e+06    4.80315e+05   -1.96499e+06    2.51306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11397e+02   -2.07146e+02    1.47823e+01    5.52918e-06


DD  step 235939999 load imb.: force 18.6%  pme mesh/force 0.758
           Step           Time
      235940000   471880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91107e+03    1.94429e+04    1.30254e+04    1.21910e+03   -2.98294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71085e+03    9.25942e+04    4.00228e+05   -2.33991e+04   -2.97840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65565e+04   -2.44909e+06    4.79606e+05   -1.96949e+06    2.51312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10937e+02   -2.07514e+02   -4.02360e+01    5.48405e-06


DD  step 235944999 load imb.: force 17.9%  pme mesh/force 0.731
           Step           Time
      235945000   471890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02119e+03    2.00705e+04    1.31038e+04    1.12666e+03   -3.18721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73958e+03    9.23721e+04    4.00748e+05   -2.33844e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65436e+04   -2.44656e+06    4.80033e+05   -1.96653e+06    2.51318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11214e+02   -2.07254e+02    2.22168e+01    5.50886e-06


DD  step 235949999 load imb.: force 16.6%  pme mesh/force 0.751
           Step           Time
      235950000   471900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08954e+03    1.93305e+04    1.31573e+04    1.23482e+03   -3.10006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91476e+03    9.29001e+04    3.99589e+05   -2.33814e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64672e+04   -2.44948e+06    4.79550e+05   -1.96993e+06    2.51324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.07202e+02   -5.56635e+01    5.47722e-06


DD  step 235954999 load imb.: force 18.3%  pme mesh/force 0.732
           Step           Time
      235955000   471910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06170e+03    1.96695e+04    1.30784e+04    1.22809e+03   -3.04126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79664e+03    9.20677e+04    3.98170e+05   -2.33695e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65503e+04   -2.44734e+06    4.81568e+05   -1.96577e+06    2.51330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12209e+02   -2.06992e+02   -5.93671e+01    5.25382e-06


DD  step 235959999 load imb.: force 16.4%  pme mesh/force 0.713
           Step           Time
      235960000   471920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00492e+03    1.94501e+04    1.30899e+04    1.16625e+03   -3.08611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79773e+03    9.28635e+04    3.99565e+05   -2.34229e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65171e+04   -2.44727e+06    4.78283e+05   -1.96899e+06    2.51336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10079e+02   -2.07938e+02   -1.02637e+01    5.44156e-06


DD  step 235964999 load imb.: force 17.2%  pme mesh/force 0.744
           Step           Time
      235965000   471930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94546e+03    1.96143e+04    1.32441e+04    1.22834e+03   -3.22209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84180e+03    9.25179e+04    4.03637e+05   -2.34079e+04   -2.98126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62844e+04   -2.44858e+06    4.80284e+05   -1.96829e+06    2.51342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11376e+02   -2.07671e+02    1.31420e+02    5.43862e-06


DD  step 235969999 load imb.: force 18.0%  pme mesh/force 0.736
           Step           Time
      235970000   471940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94850e+03    1.95071e+04    1.32011e+04    1.14616e+03   -3.05616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83376e+03    9.22579e+04    4.00440e+05   -2.33211e+04   -2.97476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66202e+04   -2.44518e+06    4.81373e+05   -1.96381e+06    2.51348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12083e+02   -2.06136e+02   -2.50024e+01    5.58905e-06


DD  step 235974999 load imb.: force 18.3%  pme mesh/force 0.738
           Step           Time
      235975000   471950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07866e+03    1.97150e+04    1.31861e+04    1.15839e+03   -3.06382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73059e+03    9.18815e+04    4.02061e+05   -2.33898e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64771e+04   -2.44741e+06    4.81438e+05   -1.96598e+06    2.51353e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12125e+02   -2.07351e+02    1.49579e+01    5.55913e-06


DD  step 235979999 load imb.: force 19.6%  pme mesh/force 0.785
           Step           Time
      235980000   471960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72864e+03    1.88134e+04    1.31806e+04    1.13884e+03   -2.99578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84126e+03    9.24072e+04    4.01381e+05   -2.33988e+04   -2.98062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63596e+04   -2.45116e+06    4.77859e+05   -1.97330e+06    2.51359e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09805e+02   -2.07509e+02    1.16241e+01    5.56537e-06


DD  step 235984999 load imb.: force 16.5%  pme mesh/force 0.750
           Step           Time
      235985000   471970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93495e+03    1.92526e+04    1.32124e+04    1.22676e+03   -3.10381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83596e+03    9.27279e+04    4.00604e+05   -2.33303e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63145e+04   -2.44834e+06    4.79598e+05   -1.96874e+06    2.51365e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10932e+02   -2.06298e+02   -1.45989e+01    5.43029e-06


DD  step 235989999 load imb.: force 17.6%  pme mesh/force 0.750
           Step           Time
      235990000   471980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89479e+03    1.95683e+04    1.31365e+04    1.19699e+03   -3.08402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00074e+03    9.24318e+04    3.98713e+05   -2.33812e+04   -2.97287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62980e+04   -2.44510e+06    4.78302e+05   -1.96680e+06    2.51371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10092e+02   -2.07198e+02    6.52251e+00    5.32790e-06


DD  step 235994999 load imb.: force 18.1%  pme mesh/force 0.739
           Step           Time
      235995000   471990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06609e+03    1.93220e+04    1.31690e+04    1.13380e+03   -3.11219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95485e+03    9.19086e+04    4.00311e+05   -2.33731e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65901e+04   -2.44856e+06    4.76598e+05   -1.97196e+06    2.51376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08987e+02   -2.07055e+02   -5.99311e+01    5.40380e-06


DD  step 235999999 load imb.: force 17.3%  pme mesh/force 0.737
           Step           Time
      236000000   472000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79796e+03    1.91110e+04    1.32452e+04    1.18044e+03   -3.07010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94333e+03    9.26043e+04    4.03694e+05   -2.34218e+04   -2.98355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63663e+04   -2.45110e+06    4.77913e+05   -1.97318e+06    2.51382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.07918e+02    8.09893e+01    5.34848e-06


DD  step 236004999 load imb.: force 16.7%  pme mesh/force 0.747
           Step           Time
      236005000   472010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05820e+03    1.92763e+04    1.30406e+04    1.15074e+03   -3.17637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89848e+03    9.22836e+04    3.98681e+05   -2.34305e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63355e+04   -2.44902e+06    4.78894e+05   -1.97012e+06    2.51388e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10475e+02   -2.08072e+02   -2.52802e+01    5.41955e-06


DD  step 236009999 load imb.: force 16.9%  pme mesh/force 0.720
           Step           Time
      236010000   472020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02528e+03    1.92819e+04    1.29680e+04    1.11500e+03   -3.10430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85630e+03    9.26535e+04    3.99803e+05   -2.33719e+04   -2.97501e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64202e+04   -2.44636e+06    4.79490e+05   -1.96688e+06    2.51394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.07034e+02    1.59328e+00    5.50410e-06


DD  step 236014999 load imb.: force 16.7%  pme mesh/force 0.706
           Step           Time
      236015000   472030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04298e+03    1.94629e+04    1.32750e+04    1.20543e+03   -3.11274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92792e+03    9.18601e+04    4.01702e+05   -2.33963e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65122e+04   -2.44817e+06    4.80090e+05   -1.96808e+06    2.51400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11251e+02   -2.07465e+02    3.92465e+01    5.44315e-06


DD  step 236019999 load imb.: force 16.6%  pme mesh/force 0.742
           Step           Time
      236020000   472040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74958e+03    1.94319e+04    1.30805e+04    1.19849e+03   -3.12596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91244e+03    9.22705e+04    3.98535e+05   -2.33848e+04   -2.97378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64730e+04   -2.44664e+06    4.79475e+05   -1.96716e+06    2.51406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.07262e+02   -4.47827e+01    5.45833e-06


DD  step 236024999 load imb.: force 17.5%  pme mesh/force 0.735
           Step           Time
      236025000   472050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90184e+03    1.92125e+04    1.30813e+04    1.24303e+03   -3.12274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89896e+03    9.21511e+04    3.98729e+05   -2.34292e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65191e+04   -2.45023e+06    4.79171e+05   -1.97106e+06    2.51411e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10655e+02   -2.08048e+02   -6.44946e+01    5.42459e-06


DD  step 236029999 load imb.: force 17.8%  pme mesh/force 0.734
           Step           Time
      236030000   472060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13655e+03    1.91381e+04    1.30211e+04    1.17313e+03   -3.01797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91734e+03    9.22858e+04    4.03491e+05   -2.34309e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64732e+04   -2.44707e+06    4.79964e+05   -1.96710e+06    2.51417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11169e+02   -2.08078e+02    1.34237e+02    5.57498e-06


DD  step 236034999 load imb.: force 17.1%  pme mesh/force 0.743
           Step           Time
      236035000   472070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79304e+03    1.92832e+04    1.31452e+04    1.18063e+03   -3.06599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91145e+03    9.19674e+04    3.98626e+05   -2.32858e+04   -2.97395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66754e+04   -2.44672e+06    4.79307e+05   -1.96741e+06    2.51423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.05512e+02   -1.09058e+02    5.32264e-06


DD  step 236039999 load imb.: force 15.8%  pme mesh/force 0.738
           Step           Time
      236040000   472080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68429e+03    1.94781e+04    1.31919e+04    1.17667e+03   -3.05824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98894e+03    9.21119e+04    3.98324e+05   -2.34082e+04   -2.97189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66137e+04   -2.44479e+06    4.81785e+05   -1.96300e+06    2.51429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12350e+02   -2.07675e+02    4.11916e+01    5.64438e-06


DD  step 236044999 load imb.: force 18.3%  pme mesh/force 0.733
           Step           Time
      236045000   472090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79783e+03    1.96078e+04    1.31425e+04    1.24627e+03   -3.09553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83297e+03    9.21422e+04    4.00386e+05   -2.33675e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65215e+04   -2.44665e+06    4.78948e+05   -1.96770e+06    2.51435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10511e+02   -2.06955e+02    1.98090e+01    5.32371e-06


DD  step 236049999 load imb.: force 18.6%  pme mesh/force 0.735
           Step           Time
      236050000   472100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.41659e+03    1.93641e+04    1.31618e+04    1.17688e+03   -3.05402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85728e+03    9.16997e+04    4.01187e+05   -2.34179e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62644e+04   -2.44961e+06    4.81075e+05   -1.96853e+06    2.51441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11889e+02   -2.07847e+02   -6.55518e-01    5.49293e-06


DD  step 236054999 load imb.: force 17.9%  pme mesh/force 0.767
           Step           Time
      236055000   472110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00152e+03    1.93071e+04    1.30999e+04    1.26912e+03   -3.15970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80764e+03    9.25928e+04    3.99366e+05   -2.33750e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64140e+04   -2.44642e+06    4.78624e+05   -1.96780e+06    2.51447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10300e+02   -2.07088e+02   -3.29382e+01    5.66344e-06


DD  step 236059999 load imb.: force 14.7%  pme mesh/force 0.718
           Step           Time
      236060000   472120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95391e+03    1.93590e+04    1.31330e+04    1.31770e+03   -3.15483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89627e+03    9.23161e+04    4.01885e+05   -2.33935e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65755e+04   -2.44748e+06    4.79174e+05   -1.96831e+06    2.51452e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10657e+02   -2.07416e+02    7.35180e+01    5.54517e-06


DD  step 236064999 load imb.: force 17.0%  pme mesh/force 0.769
           Step           Time
      236065000   472130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00168e+03    1.93142e+04    1.29852e+04    1.16461e+03   -3.00470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85203e+03    9.24553e+04    3.99725e+05   -2.33937e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64247e+04   -2.44849e+06    4.79850e+05   -1.96864e+06    2.51458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11096e+02   -2.07419e+02   -3.59503e+01    5.54383e-06


DD  step 236069999 load imb.: force 18.3%  pme mesh/force 0.746
           Step           Time
      236070000   472140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15556e+03    1.94906e+04    1.30931e+04    1.22094e+03   -3.08291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82364e+03    9.26438e+04    3.99650e+05   -2.34081e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64791e+04   -2.44724e+06    4.79964e+05   -1.96728e+06    2.51464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11169e+02   -2.07675e+02    1.06596e+01    5.60629e-06


DD  step 236074999 load imb.: force 18.0%  pme mesh/force 0.750
           Step           Time
      236075000   472150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97174e+03    1.94155e+04    1.32252e+04    1.16438e+03   -3.04180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82380e+03    9.25554e+04    4.02271e+05   -2.33810e+04   -2.98241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63574e+04   -2.45105e+06    4.78860e+05   -1.97219e+06    2.51470e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10454e+02   -2.07194e+02   -1.66343e+01    5.54072e-06


DD  step 236079999 load imb.: force 17.2%  pme mesh/force 0.732
           Step           Time
      236080000   472160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82831e+03    1.94500e+04    1.30757e+04    1.22799e+03   -3.13752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86985e+03    9.23215e+04    3.99389e+05   -2.33793e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64406e+04   -2.44706e+06    4.80239e+05   -1.96682e+06    2.51476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.07164e+02    3.95508e-02    5.68198e-06


DD  step 236084999 load imb.: force 17.9%  pme mesh/force 0.729
           Step           Time
      236085000   472170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01671e+03    1.91227e+04    1.30374e+04    1.13938e+03   -2.98237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68581e+03    9.22701e+04    4.02886e+05   -2.34145e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63925e+04   -2.44855e+06    4.78195e+05   -1.97035e+06    2.51481e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10022e+02   -2.07788e+02    7.86685e+01    5.62963e-06


DD  step 236089999 load imb.: force 19.0%  pme mesh/force 0.708
           Step           Time
      236090000   472180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07832e+03    1.95922e+04    1.31007e+04    1.25238e+03   -2.96309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79837e+03    9.24146e+04    4.01929e+05   -2.34295e+04   -2.97649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65204e+04   -2.44520e+06    4.79084e+05   -1.96611e+06    2.51488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.08054e+02    8.12403e+01    5.41249e-06


DD  step 236094999 load imb.: force 17.1%  pme mesh/force 0.734
           Step           Time
      236095000   472190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63606e+03    1.96081e+04    1.29963e+04    1.18681e+03   -3.10371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.10222e+03    9.23371e+04    3.95383e+05   -2.33578e+04   -2.96975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64726e+04   -2.44549e+06    4.80461e+05   -1.96503e+06    2.51493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11492e+02   -2.06783e+02   -8.25508e+01    5.60405e-06


DD  step 236099999 load imb.: force 17.6%  pme mesh/force 0.748
           Step           Time
      236100000   472200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78580e+03    1.93383e+04    1.29852e+04    1.25451e+03   -3.06552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96917e+03    9.23400e+04    3.99814e+05   -2.33844e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64490e+04   -2.44781e+06    4.79526e+05   -1.96828e+06    2.51499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.07254e+02    1.24935e+01    5.45378e-06


DD  step 236104999 load imb.: force 16.5%  pme mesh/force 0.735
           Step           Time
      236105000   472210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85633e+03    1.94151e+04    1.30496e+04    1.18543e+03   -2.98807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92195e+03    9.25150e+04    3.96141e+05   -2.33623e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64370e+04   -2.44866e+06    4.80804e+05   -1.96786e+06    2.51504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11714e+02   -2.06863e+02   -1.24903e+02    5.29543e-06


DD  step 236109999 load imb.: force 17.9%  pme mesh/force 0.712
           Step           Time
      236110000   472220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09147e+03    1.92744e+04    1.29357e+04    1.19090e+03   -3.08308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90909e+03    9.23455e+04    4.00574e+05   -2.33753e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64464e+04   -2.44777e+06    4.79461e+05   -1.96831e+06    2.51510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07093e+02   -3.03812e+01    5.67340e-06


DD  step 236114999 load imb.: force 16.9%  pme mesh/force 0.732
           Step           Time
      236115000   472230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87143e+03    1.91904e+04    1.29833e+04    1.11962e+03   -3.00680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86927e+03    9.22336e+04    3.99089e+05   -2.33706e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63706e+04   -2.44844e+06    4.80377e+05   -1.96806e+06    2.51516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11437e+02   -2.07010e+02   -7.72510e+01    5.53213e-06


DD  step 236119999 load imb.: force 17.0%  pme mesh/force 0.727
           Step           Time
      236120000   472240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95482e+03    1.93079e+04    1.29928e+04    1.14590e+03   -3.02294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93438e+03    9.23390e+04    3.98613e+05   -2.33491e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66867e+04   -2.44653e+06    4.80684e+05   -1.96584e+06    2.51522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11636e+02   -2.06630e+02   -5.81691e+01    5.50892e-06

Writing checkpoint, step 236121250 at Wed Nov  8 07:31:28 2023



DD  step 236124999 load imb.: force 16.9%  pme mesh/force 0.758
           Step           Time
      236125000   472250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95169e+03    1.95172e+04    1.31849e+04    1.21037e+03   -3.16274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90326e+03    9.19870e+04    4.01804e+05   -2.34236e+04   -2.98057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63435e+04   -2.45025e+06    4.80049e+05   -1.97020e+06    2.51528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11225e+02   -2.07949e+02    6.87063e+01    5.43990e-06


DD  step 236129999 load imb.: force 18.7%  pme mesh/force 0.757
           Step           Time
      236130000   472260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96386e+03    1.89398e+04    1.28764e+04    1.22349e+03   -2.99453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99445e+03    9.25131e+04    3.99626e+05   -2.33707e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65742e+04   -2.44708e+06    4.78927e+05   -1.96815e+06    2.51534e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.07012e+02   -9.85413e-02    5.49162e-06


DD  step 236134999 load imb.: force 18.6%  pme mesh/force 0.752
           Step           Time
      236135000   472270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84968e+03    1.95447e+04    1.30633e+04    1.06683e+03   -3.06197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82074e+03    9.25096e+04    3.98474e+05   -2.33736e+04   -2.97327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63740e+04   -2.44600e+06    4.81444e+05   -1.96456e+06    2.51539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12129e+02   -2.07063e+02   -6.24483e+01    5.46534e-06


DD  step 236139999 load imb.: force 18.4%  pme mesh/force 0.721
           Step           Time
      236140000   472280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00921e+03    1.97393e+04    1.31699e+04    1.18916e+03   -3.09865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79987e+03    9.26402e+04    4.02522e+05   -2.33824e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65910e+04   -2.44644e+06    4.80431e+05   -1.96601e+06    2.51545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11472e+02   -2.07219e+02    9.98364e+01    5.45086e-06


DD  step 236144999 load imb.: force 19.1%  pme mesh/force 0.731
           Step           Time
      236145000   472290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17144e+03    1.93582e+04    1.30724e+04    1.20075e+03   -3.06637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98238e+03    9.24994e+04    3.96984e+05   -2.33527e+04   -2.97021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62547e+04   -2.44411e+06    4.80351e+05   -1.96376e+06    2.51550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11420e+02   -2.06694e+02   -9.85366e+01    5.43819e-06


DD  step 236149999 load imb.: force 17.3%  pme mesh/force 0.726
           Step           Time
      236150000   472300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02188e+03    1.93151e+04    1.30416e+04    1.12438e+03   -2.96482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81250e+03    9.24456e+04    4.00935e+05   -2.33822e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65083e+04   -2.44660e+06    4.77675e+05   -1.96892e+06    2.51556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09685e+02   -2.07215e+02   -4.42444e-01    5.36797e-06


DD  step 236154999 load imb.: force 17.9%  pme mesh/force 0.744
           Step           Time
      236155000   472310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83053e+03    1.93455e+04    1.30923e+04    1.30760e+03   -3.04750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93553e+03    9.29610e+04    3.99268e+05   -2.34138e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64828e+04   -2.44777e+06    4.81375e+05   -1.96640e+06    2.51562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12084e+02   -2.07775e+02    4.41515e+01    5.61213e-06


DD  step 236159999 load imb.: force 17.5%  pme mesh/force 0.732
           Step           Time
      236160000   472320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03010e+03    1.96011e+04    1.30371e+04    1.20013e+03   -2.90149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83375e+03    9.23969e+04    3.99727e+05   -2.33410e+04   -2.97409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64740e+04   -2.44503e+06    4.80824e+05   -1.96421e+06    2.51568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11727e+02   -2.06488e+02    2.21767e+00    5.44968e-06


DD  step 236164999 load imb.: force 19.6%  pme mesh/force 0.732
           Step           Time
      236165000   472330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20270e+03    1.91712e+04    1.30413e+04    1.13965e+03   -3.06074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86970e+03    9.20688e+04    3.99906e+05   -2.33767e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64998e+04   -2.44768e+06    4.78459e+05   -1.96922e+06    2.51574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10194e+02   -2.07118e+02   -2.03440e+01    5.40901e-06


DD  step 236169999 load imb.: force 18.5%  pme mesh/force 0.688
           Step           Time
      236170000   472340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83549e+03    1.94529e+04    1.32747e+04    1.16844e+03   -3.09389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92851e+03    9.22295e+04    4.01624e+05   -2.33748e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65384e+04   -2.44759e+06    4.77543e+05   -1.97005e+06    2.51579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09600e+02   -2.07084e+02    3.25312e+01    5.33365e-06


DD  step 236174999 load imb.: force 17.9%  pme mesh/force 0.759
           Step           Time
      236175000   472350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90188e+03    1.96745e+04    1.30305e+04    1.19840e+03   -3.08517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95049e+03    9.25861e+04    4.02169e+05   -2.34134e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64430e+04   -2.44764e+06    4.79270e+05   -1.96837e+06    2.51585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10720e+02   -2.07769e+02    9.92470e+01    5.33429e-06


DD  step 236179999 load imb.: force 17.6%  pme mesh/force 0.725
           Step           Time
      236180000   472360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26915e+03    1.92715e+04    1.31870e+04    1.22897e+03   -3.01284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83924e+03    9.21406e+04    4.00790e+05   -2.33752e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63296e+04   -2.44688e+06    4.78249e+05   -1.96863e+06    2.51591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10057e+02   -2.07092e+02   -1.32591e+00    5.20015e-06


DD  step 236184999 load imb.: force 19.3%  pme mesh/force 0.710
           Step           Time
      236185000   472370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21544e+03    1.92572e+04    1.31541e+04    1.12757e+03   -2.99897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92490e+03    9.22160e+04    4.01756e+05   -2.33989e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65000e+04   -2.44763e+06    4.82112e+05   -1.96552e+06    2.51596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12562e+02   -2.07512e+02    3.46317e+01    5.22814e-06


DD  step 236189999 load imb.: force 16.3%  pme mesh/force 0.701
           Step           Time
      236190000   472380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96147e+03    1.98321e+04    1.31015e+04    1.15697e+03   -2.98467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73822e+03    9.23669e+04    3.96373e+05   -2.33897e+04   -2.97303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67217e+04   -2.44715e+06    4.80216e+05   -1.96694e+06    2.51602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.07349e+02   -1.20968e+02    5.25557e-06


DD  step 236194999 load imb.: force 17.3%  pme mesh/force 0.748
           Step           Time
      236195000   472390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16275e+03    1.91777e+04    1.30963e+04    1.17060e+03   -2.98227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81241e+03    9.25372e+04    4.00320e+05   -2.33625e+04   -2.97503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62777e+04   -2.44582e+06    4.79380e+05   -1.96644e+06    2.51608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10790e+02   -2.06868e+02   -4.33631e+01    5.38791e-06


DD  step 236199999 load imb.: force 17.2%  pme mesh/force 0.741
           Step           Time
      236200000   472400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85702e+03    1.93656e+04    1.32545e+04    1.25203e+03   -3.04607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83586e+03    9.22041e+04    3.98444e+05   -2.34135e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63574e+04   -2.44689e+06    4.80073e+05   -1.96682e+06    2.51613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11240e+02   -2.07770e+02   -4.39364e+01    5.37692e-06


DD  step 236204999 load imb.: force 18.1%  pme mesh/force 0.716
           Step           Time
      236205000   472410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00806e+03    1.96287e+04    1.30399e+04    1.07624e+03   -3.04000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89389e+03    9.23585e+04    3.99888e+05   -2.34022e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63381e+04   -2.44764e+06    4.79961e+05   -1.96767e+06    2.51620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11167e+02   -2.07569e+02   -4.56001e+01    5.35722e-06


DD  step 236209999 load imb.: force 19.2%  pme mesh/force 0.750
           Step           Time
      236210000   472420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67852e+03    1.95102e+04    1.31011e+04    1.22445e+03   -3.08831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02285e+03    9.27392e+04    3.99268e+05   -2.33853e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64569e+04   -2.44783e+06    4.80013e+05   -1.96781e+06    2.51625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11201e+02   -2.07271e+02    1.55540e+01    5.27872e-06


DD  step 236214999 load imb.: force 18.8%  pme mesh/force 0.760
           Step           Time
      236215000   472430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12908e+03    1.94220e+04    1.30656e+04    1.24680e+03   -3.08670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91355e+03    9.25667e+04    4.01900e+05   -2.33865e+04   -2.97819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64481e+04   -2.44697e+06    4.77956e+05   -1.96902e+06    2.51631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09867e+02   -2.07292e+02    2.16920e+01    5.37762e-06


DD  step 236219999 load imb.: force 18.9%  pme mesh/force 0.738
           Step           Time
      236220000   472440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13265e+03    1.93449e+04    1.30185e+04    1.14067e+03   -3.12675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00872e+03    9.23371e+04    4.02167e+05   -2.33864e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65333e+04   -2.44685e+06    4.79718e+05   -1.96713e+06    2.51637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11010e+02   -2.07291e+02    6.03203e+01    5.51217e-06


DD  step 236224999 load imb.: force 16.6%  pme mesh/force 0.729
           Step           Time
      236225000   472450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15457e+03    1.93550e+04    1.28731e+04    1.15963e+03   -2.99107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78846e+03    9.25412e+04    4.00704e+05   -2.33520e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62517e+04   -2.44874e+06    4.80471e+05   -1.96827e+06    2.51643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11498e+02   -2.06682e+02   -3.61268e+01    5.28023e-06


DD  step 236229999 load imb.: force 17.1%  pme mesh/force 0.758
           Step           Time
      236230000   472460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06541e+03    1.94285e+04    1.28977e+04    1.20200e+03   -3.11577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90814e+03    9.26798e+04    4.01039e+05   -2.33463e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63923e+04   -2.44796e+06    4.80679e+05   -1.96729e+06    2.51649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11633e+02   -2.06580e+02   -1.84235e+01    5.30693e-06


DD  step 236234999 load imb.: force 17.6%  pme mesh/force 0.720
           Step           Time
      236235000   472470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83526e+03    1.94666e+04    1.29858e+04    1.11631e+03   -3.08617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78381e+03    9.24499e+04    3.98202e+05   -2.32965e+04   -2.96898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66137e+04   -2.44191e+06    4.77927e+05   -1.96398e+06    2.51654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09849e+02   -2.05701e+02   -4.99632e+01    5.29240e-06


DD  step 236239999 load imb.: force 19.0%  pme mesh/force 0.719
           Step           Time
      236240000   472480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91758e+03    1.93296e+04    1.32263e+04    1.29584e+03   -3.10842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93377e+03    9.24619e+04    4.03395e+05   -2.34217e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66175e+04   -2.44517e+06    4.80334e+05   -1.96483e+06    2.51660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.07915e+02    1.18307e+02    5.22105e-06


DD  step 236244999 load imb.: force 17.9%  pme mesh/force 0.754
           Step           Time
      236245000   472490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97404e+03    1.93402e+04    1.29756e+04    1.18401e+03   -2.98060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83387e+03    9.25545e+04    4.00443e+05   -2.33760e+04   -2.97521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63765e+04   -2.44588e+06    4.80560e+05   -1.96532e+06    2.51666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11556e+02   -2.07107e+02   -2.12159e+01    5.41418e-06


DD  step 236249999 load imb.: force 19.0%  pme mesh/force 0.738
           Step           Time
      236250000   472500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05423e+03    1.93027e+04    1.30739e+04    1.21229e+03   -2.94576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80385e+03    9.26348e+04    4.02011e+05   -2.33603e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66574e+04   -2.44723e+06    4.80898e+05   -1.96633e+06    2.51672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.06827e+02    2.88917e+01    5.48745e-06


DD  step 236254999 load imb.: force 17.0%  pme mesh/force 0.740
           Step           Time
      236255000   472510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99046e+03    1.92614e+04    1.29983e+04    1.14297e+03   -2.98405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84484e+03    9.24505e+04    3.99415e+05   -2.34012e+04   -2.97571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62901e+04   -2.44771e+06    4.78755e+05   -1.96895e+06    2.51678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.07552e+02   -1.19368e+01    5.39908e-06


DD  step 236259999 load imb.: force 18.0%  pme mesh/force 0.736
           Step           Time
      236260000   472520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.56673e+03    1.90892e+04    1.31318e+04    1.19682e+03   -3.05420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89872e+03    9.26689e+04    4.02629e+05   -2.34016e+04   -2.98403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64791e+04   -2.45282e+06    4.80060e+05   -1.97276e+06    2.51684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11232e+02   -2.07559e+02    6.36084e+01    5.47449e-06


DD  step 236264999 load imb.: force 18.6%  pme mesh/force 0.732
           Step           Time
      236265000   472530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96832e+03    1.92815e+04    1.30526e+04    1.23786e+03   -3.17083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92736e+03    9.25757e+04    4.01780e+05   -2.33784e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68119e+04   -2.44769e+06    4.80009e+05   -1.96768e+06    2.51690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.07149e+02    7.49641e+01    5.36587e-06


DD  step 236269999 load imb.: force 17.1%  pme mesh/force 0.714
           Step           Time
      236270000   472540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02840e+03    1.92820e+04    1.31474e+04    1.14468e+03   -3.19113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87693e+03    9.24858e+04    4.00231e+05   -2.33737e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63443e+04   -2.44727e+06    4.79192e+05   -1.96808e+06    2.51696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10669e+02   -2.07066e+02   -3.11811e+01    5.31610e-06


DD  step 236274999 load imb.: force 17.8%  pme mesh/force 0.723
           Step           Time
      236275000   472550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13047e+03    1.92353e+04    1.30914e+04    1.17161e+03   -3.11086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98600e+03    9.25187e+04    4.01248e+05   -2.34074e+04   -2.98117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64248e+04   -2.45088e+06    4.80774e+05   -1.97011e+06    2.51702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11694e+02   -2.07662e+02   -2.35452e+01    5.25018e-06


DD  step 236279999 load imb.: force 18.3%  pme mesh/force 0.730
           Step           Time
      236280000   472560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99923e+03    1.94848e+04    1.30770e+04    1.27297e+03   -3.03640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85619e+03    9.22174e+04    4.00547e+05   -2.33889e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66398e+04   -2.44582e+06    4.81317e+05   -1.96450e+06    2.51707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12046e+02   -2.07335e+02    3.40893e+01    5.40625e-06


DD  step 236284999 load imb.: force 19.5%  pme mesh/force 0.718
           Step           Time
      236285000   472570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88088e+03    1.95270e+04    1.30731e+04    1.21973e+03   -3.15615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82837e+03    9.20533e+04    4.02036e+05   -2.34416e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63586e+04   -2.44821e+06    4.80886e+05   -1.96733e+06    2.51713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.08269e+02    6.23343e+01    5.49013e-06


DD  step 236289999 load imb.: force 17.8%  pme mesh/force 0.732
           Step           Time
      236290000   472580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01744e+03    1.93143e+04    1.31531e+04    1.15752e+03   -3.07263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91843e+03    9.26311e+04    4.03054e+05   -2.34270e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67682e+04   -2.44625e+06    4.79462e+05   -1.96679e+06    2.51719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.08010e+02    1.28191e+02    5.24304e-06


DD  step 236294999 load imb.: force 18.5%  pme mesh/force 0.736
           Step           Time
      236295000   472590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95699e+03    1.95787e+04    1.30907e+04    1.23361e+03   -3.05738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75426e+03    9.27373e+04    4.01814e+05   -2.33886e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62818e+04   -2.44873e+06    4.81550e+05   -1.96718e+06    2.51725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12198e+02   -2.07329e+02    6.72180e+00    5.36183e-06


DD  step 236299999 load imb.: force 20.8%  pme mesh/force 0.753
           Step           Time
      236300000   472600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00432e+03    1.93140e+04    1.29208e+04    1.09515e+03   -3.00484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69677e+03    9.24118e+04    3.98953e+05   -2.33621e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62479e+04   -2.44802e+06    4.79207e+05   -1.96881e+06    2.51730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.06861e+02   -1.00033e+02    5.37006e-06


DD  step 236304999 load imb.: force 19.5%  pme mesh/force 0.720
           Step           Time
      236305000   472610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18477e+03    1.92999e+04    1.28345e+04    1.22974e+03   -3.15324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75320e+03    9.23454e+04    3.99383e+05   -2.33818e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65879e+04   -2.44764e+06    4.79135e+05   -1.96850e+06    2.51736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.07209e+02   -6.26663e+01    5.35227e-06


DD  step 236309999 load imb.: force 19.2%  pme mesh/force 0.783
           Step           Time
      236310000   472620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88457e+03    1.93077e+04    1.31639e+04    1.15971e+03   -3.05444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83413e+03    9.27142e+04    4.00567e+05   -2.33804e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61727e+04   -2.45033e+06    4.78060e+05   -1.97227e+06    2.51742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09935e+02   -2.07184e+02   -1.44674e+01    5.42274e-06


DD  step 236314999 load imb.: force 19.2%  pme mesh/force 0.734
           Step           Time
      236315000   472630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99491e+03    1.90655e+04    1.31987e+04    1.18314e+03   -3.11499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90112e+03    9.29853e+04    4.00873e+05   -2.33924e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63308e+04   -2.44598e+06    4.79147e+05   -1.96684e+06    2.51747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.07396e+02    9.19405e+01    5.46701e-06


DD  step 236319999 load imb.: force 17.0%  pme mesh/force 0.773
           Step           Time
      236320000   472640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02717e+03    1.93970e+04    1.33059e+04    1.19987e+03   -3.20377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81657e+03    9.25095e+04    3.99596e+05   -2.34012e+04   -2.97267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65766e+04   -2.44385e+06    4.79304e+05   -1.96454e+06    2.51753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10741e+02   -2.07551e+02    2.22860e+01    5.34225e-06


DD  step 236324999 load imb.: force 19.5%  pme mesh/force 0.752
           Step           Time
      236325000   472650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80316e+03    1.93361e+04    1.32326e+04    1.20744e+03   -3.13878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90276e+03    9.29246e+04    3.97992e+05   -2.34134e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64738e+04   -2.44821e+06    4.77934e+05   -1.97028e+06    2.51759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09853e+02   -2.07769e+02   -8.35057e+01    5.09407e-06


DD  step 236329999 load imb.: force 19.2%  pme mesh/force 0.762
           Step           Time
      236330000   472660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90158e+03    1.93415e+04    1.30453e+04    1.20356e+03   -2.99083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97411e+03    9.30447e+04    3.97212e+05   -2.33502e+04   -2.97284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67484e+04   -2.44571e+06    4.82217e+05   -1.96349e+06    2.51765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12630e+02   -2.06650e+02   -7.04547e+01    5.38634e-06


DD  step 236334999 load imb.: force 19.5%  pme mesh/force 0.758
           Step           Time
      236335000   472670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91394e+03    1.93065e+04    1.31398e+04    1.20494e+03   -3.13941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85545e+03    9.26251e+04    4.02432e+05   -2.34153e+04   -2.97896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65423e+04   -2.44750e+06    4.78902e+05   -1.96860e+06    2.51771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10481e+02   -2.07802e+02    5.31394e+01    5.57616e-06


DD  step 236339999 load imb.: force 18.7%  pme mesh/force 0.762
           Step           Time
      236340000   472680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95579e+03    1.94920e+04    1.29802e+04    1.14239e+03   -3.19639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92277e+03    9.23132e+04    3.99130e+05   -2.33430e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64160e+04   -2.44898e+06    4.77859e+05   -1.97112e+06    2.51777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09804e+02   -2.06523e+02   -7.88758e+01    5.44357e-06


DD  step 236344999 load imb.: force 17.4%  pme mesh/force 0.725
           Step           Time
      236345000   472690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91839e+03    1.93295e+04    1.29939e+04    1.21146e+03   -3.02982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95078e+03    9.29175e+04    3.97084e+05   -2.33895e+04   -2.97321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64418e+04   -2.44679e+06    4.78698e+05   -1.96809e+06    2.51782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10348e+02   -2.07344e+02   -1.04157e+02    5.47927e-06


DD  step 236349999 load imb.: force 18.8%  pme mesh/force 0.758
           Step           Time
      236350000   472700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18017e+03    1.90075e+04    1.32572e+04    1.15161e+03   -3.03561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85567e+03    9.23929e+04    4.00139e+05   -2.33368e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64152e+04   -2.44820e+06    4.77368e+05   -1.97083e+06    2.51788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09486e+02   -2.06412e+02   -3.85293e+01    5.32437e-06


DD  step 236354999 load imb.: force 21.3%  pme mesh/force 0.778
           Step           Time
      236355000   472710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92905e+03    1.96519e+04    1.31362e+04    1.20341e+03   -2.97160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87358e+03    9.25738e+04    4.04744e+05   -2.34396e+04   -2.98447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64539e+04   -2.45032e+06    4.81288e+05   -1.96903e+06    2.51794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12028e+02   -2.08232e+02    1.36441e+02    5.46152e-06


DD  step 236359999 load imb.: force 17.0%  pme mesh/force 0.715
           Step           Time
      236360000   472720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91759e+03    1.94664e+04    1.30739e+04    1.16326e+03   -3.08009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93744e+03    9.25997e+04    4.01802e+05   -2.34457e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62371e+04   -2.44828e+06    4.78581e+05   -1.96970e+06    2.51800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10273e+02   -2.08342e+02    1.47680e+02    5.37190e-06


DD  step 236364999 load imb.: force 17.2%  pme mesh/force 0.743
           Step           Time
      236365000   472730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89907e+03    1.96531e+04    1.30022e+04    1.18988e+03   -2.99398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80452e+03    9.21741e+04    4.01887e+05   -2.34256e+04   -2.98158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65022e+04   -2.45089e+06    4.78090e+05   -1.97280e+06    2.51805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09954e+02   -2.07985e+02    3.42438e+01    5.37172e-06


DD  step 236369999 load imb.: force 16.4%  pme mesh/force 0.737
           Step           Time
      236370000   472740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15487e+03    1.93951e+04    1.31581e+04    1.18794e+03   -3.02784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74390e+03    9.22456e+04    3.98270e+05   -2.33760e+04   -2.96903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66331e+04   -2.44164e+06    4.80973e+05   -1.96067e+06    2.51811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11823e+02   -2.07106e+02   -7.21463e+00    5.48062e-06


DD  step 236374999 load imb.: force 19.0%  pme mesh/force 0.765
           Step           Time
      236375000   472750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33016e+03    1.96369e+04    1.32317e+04    1.16176e+03   -3.07558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65099e+03    9.19000e+04    4.01400e+05   -2.34179e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62731e+04   -2.44909e+06    4.79394e+05   -1.96970e+06    2.51817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10800e+02   -2.07848e+02   -2.28765e+01    5.28917e-06


DD  step 236379999 load imb.: force 17.5%  pme mesh/force 0.742
           Step           Time
      236380000   472760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33447e+03    1.97051e+04    1.28713e+04    1.14579e+03   -3.02162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85615e+03    9.14532e+04    4.00922e+05   -2.33365e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64676e+04   -2.44706e+06    4.80862e+05   -1.96620e+06    2.51823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11751e+02   -2.06408e+02   -4.29788e+00    5.46532e-06


DD  step 236384999 load imb.: force 19.8%  pme mesh/force 0.803
           Step           Time
      236385000   472770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99368e+03    1.91735e+04    1.31710e+04    1.15126e+03   -2.93252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93998e+03    9.31944e+04    4.00329e+05   -2.34353e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65612e+04   -2.44802e+06    4.80676e+05   -1.96735e+06    2.51828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11631e+02   -2.08157e+02    3.29007e+01    5.62317e-06


DD  step 236389999 load imb.: force 16.2%  pme mesh/force 0.694
           Step           Time
      236390000   472780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06662e+03    1.91307e+04    1.31191e+04    1.24826e+03   -3.12272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91874e+03    9.25823e+04    3.99743e+05   -2.33353e+04   -2.97138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67077e+04   -2.44232e+06    4.78492e+05   -1.96383e+06    2.51834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10215e+02   -2.06386e+02   -2.72782e+01    5.42793e-06


DD  step 236394999 load imb.: force 20.6%  pme mesh/force 0.705
           Step           Time
      236395000   472790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06945e+03    1.97762e+04    1.31452e+04    1.15057e+03   -3.14163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76316e+03    9.20713e+04    4.01617e+05   -2.34266e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64286e+04   -2.44802e+06    4.78670e+05   -1.96935e+06    2.51840e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10330e+02   -2.08002e+02    4.34729e+01    5.41568e-06


DD  step 236399999 load imb.: force 19.2%  pme mesh/force 0.745
           Step           Time
      236400000   472800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72161e+03    1.94236e+04    1.28307e+04    1.20683e+03   -2.98244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92183e+03    9.25952e+04    4.00390e+05   -2.34407e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65689e+04   -2.44766e+06    4.79091e+05   -1.96857e+06    2.51845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10603e+02   -2.08253e+02    5.34691e+01    5.44176e-06


DD  step 236404999 load imb.: force 19.5%  pme mesh/force 0.766
           Step           Time
      236405000   472810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83629e+03    1.94244e+04    1.32948e+04    1.12831e+03   -3.17333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90554e+03    9.21662e+04    4.01073e+05   -2.33786e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64810e+04   -2.44579e+06    4.79905e+05   -1.96589e+06    2.51851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.07151e+02    2.76489e+01    5.35557e-06


DD  step 236409999 load imb.: force 18.9%  pme mesh/force 0.757
           Step           Time
      236410000   472820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03170e+03    1.92752e+04    1.30009e+04    1.09733e+03   -3.18811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79754e+03    9.22990e+04    4.00007e+05   -2.33872e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68151e+04   -2.44929e+06    4.76839e+05   -1.97245e+06    2.51858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09143e+02   -2.07304e+02   -3.24605e+01    5.39381e-06


DD  step 236414999 load imb.: force 17.8%  pme mesh/force 0.767
           Step           Time
      236415000   472830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01556e+03    1.96868e+04    1.30933e+04    1.30531e+03   -3.02401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72403e+03    9.26632e+04    3.99419e+05   -2.34064e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65210e+04   -2.44652e+06    4.80355e+05   -1.96617e+06    2.51863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11423e+02   -2.07645e+02   -5.85809e+01    5.54339e-06


DD  step 236419999 load imb.: force 19.0%  pme mesh/force 0.767
           Step           Time
      236420000   472840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89096e+03    1.96215e+04    1.28619e+04    1.17797e+03   -3.17757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91798e+03    9.27023e+04    4.00869e+05   -2.33596e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64271e+04   -2.44590e+06    4.82248e+05   -1.96366e+06    2.51868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12650e+02   -2.06816e+02    5.63524e+01    5.71944e-06


DD  step 236424999 load imb.: force 17.7%  pme mesh/force 0.768
           Step           Time
      236425000   472850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13079e+03    1.94736e+04    1.27822e+04    1.12950e+03   -3.05977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69416e+03    9.20033e+04    3.98358e+05   -2.33908e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64860e+04   -2.44790e+06    4.80360e+05   -1.96754e+06    2.51874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.07369e+02   -8.56254e+01    5.64764e-06


DD  step 236429999 load imb.: force 18.9%  pme mesh/force 0.736
           Step           Time
      236430000   472860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86110e+03    1.95519e+04    1.31339e+04    1.27011e+03   -3.03547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79315e+03    9.21693e+04    3.98656e+05   -2.33292e+04   -2.97110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65671e+04   -2.44346e+06    4.81097e+05   -1.96236e+06    2.51880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11904e+02   -2.06279e+02   -5.34441e+01    5.54159e-06


DD  step 236434999 load imb.: force 18.9%  pme mesh/force 0.778
           Step           Time
      236435000   472870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06375e+03    1.94540e+04    1.30248e+04    1.17783e+03   -3.11514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90097e+03    9.23523e+04    4.00622e+05   -2.33680e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65416e+04   -2.44540e+06    4.79678e+05   -1.96572e+06    2.51886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10984e+02   -2.06964e+02    4.52480e+01    5.46516e-06


DD  step 236439999 load imb.: force 20.7%  pme mesh/force 0.755
           Step           Time
      236440000   472880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97507e+03    1.97310e+04    1.31291e+04    1.20439e+03   -3.08516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87715e+03    9.23704e+04    4.00765e+05   -2.33759e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66305e+04   -2.44527e+06    4.81200e+05   -1.96407e+06    2.51892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11970e+02   -2.07105e+02    4.63696e+01    5.20538e-06


DD  step 236444999 load imb.: force 16.8%  pme mesh/force 0.721
           Step           Time
      236445000   472890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92677e+03    1.95466e+04    1.32851e+04    1.13993e+03   -3.12898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78745e+03    9.23555e+04    4.00755e+05   -2.33658e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64740e+04   -2.44588e+06    4.81246e+05   -1.96464e+06    2.51898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12001e+02   -2.06925e+02    4.00254e+01    5.46504e-06

Writing checkpoint, step 236448550 at Wed Nov  8 07:46:28 2023



DD  step 236449999 load imb.: force 17.8%  pme mesh/force 0.754
           Step           Time
      236450000   472900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03812e+03    1.96172e+04    1.31456e+04    1.15797e+03   -3.19693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85075e+03    9.16823e+04    4.01056e+05   -2.33500e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66373e+04   -2.44705e+06    4.78625e+05   -1.96843e+06    2.51904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10301e+02   -2.06646e+02    3.83426e+01    5.34636e-06


DD  step 236454999 load imb.: force 18.3%  pme mesh/force 0.709
           Step           Time
      236455000   472910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12970e+03    1.96824e+04    1.31038e+04    1.18082e+03   -3.08962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76544e+03    9.16121e+04    3.98917e+05   -2.33830e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65609e+04   -2.44762e+06    4.79996e+05   -1.96762e+06    2.51909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11190e+02   -2.07231e+02   -6.19513e+01    5.42827e-06


DD  step 236459999 load imb.: force 18.6%  pme mesh/force 0.732
           Step           Time
      236460000   472920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.43533e+03    1.93731e+04    1.29058e+04    1.18001e+03   -3.00532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78031e+03    9.24132e+04    4.00020e+05   -2.33412e+04   -2.97264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64728e+04   -2.44340e+06    4.82482e+05   -1.96092e+06    2.51914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12801e+02   -2.06490e+02    1.31768e+01    5.48969e-06


DD  step 236464999 load imb.: force 18.6%  pme mesh/force 0.722
           Step           Time
      236465000   472930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94118e+03    1.94453e+04    1.29915e+04    1.17271e+03   -3.11234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74407e+03    9.27801e+04    3.99749e+05   -2.33576e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64414e+04   -2.44864e+06    4.78788e+05   -1.96986e+06    2.51920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10406e+02   -2.06781e+02   -3.95252e+01    5.23712e-06


DD  step 236469999 load imb.: force 19.1%  pme mesh/force 0.729
           Step           Time
      236470000   472940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89603e+03    1.98771e+04    1.32300e+04    1.20707e+03   -3.06130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91214e+03    9.25821e+04    3.99869e+05   -2.33736e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64768e+04   -2.44461e+06    4.82423e+05   -1.96219e+06    2.51926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12763e+02   -2.07063e+02    1.64111e+01    5.25501e-06


DD  step 236474999 load imb.: force 19.4%  pme mesh/force 0.715
           Step           Time
      236475000   472950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07095e+03    1.97303e+04    1.28848e+04    1.12565e+03   -3.01811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83456e+03    9.31907e+04    3.97636e+05   -2.33742e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65725e+04   -2.44604e+06    4.80731e+05   -1.96531e+06    2.51932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11666e+02   -2.07074e+02   -4.19989e+01    5.29604e-06


DD  step 236479999 load imb.: force 17.3%  pme mesh/force 0.718
           Step           Time
      236480000   472960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24313e+03    1.95002e+04    1.30942e+04    1.19436e+03   -3.09412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88503e+03    9.26317e+04    3.98165e+05   -2.33605e+04   -2.97202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63133e+04   -2.44445e+06    4.81153e+05   -1.96330e+06    2.51937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11940e+02   -2.06832e+02   -6.68268e+01    5.26266e-06


DD  step 236484999 load imb.: force 21.3%  pme mesh/force 0.756
           Step           Time
      236485000   472970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07806e+03    1.93462e+04    1.28971e+04    1.14237e+03   -3.03354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76760e+03    9.18836e+04    4.03657e+05   -2.33639e+04   -2.98207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64225e+04   -2.45027e+06    4.81281e+05   -1.96899e+06    2.51943e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12023e+02   -2.06892e+02    3.62962e+01    5.24619e-06


DD  step 236489999 load imb.: force 18.4%  pme mesh/force 0.734
           Step           Time
      236490000   472980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95222e+03    1.93034e+04    1.31053e+04    1.17770e+03   -3.10694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85445e+03    9.25212e+04    3.98828e+05   -2.33712e+04   -2.97162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67176e+04   -2.44364e+06    4.80482e+05   -1.96316e+06    2.51948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11505e+02   -2.07022e+02    3.97781e-01    5.14562e-06


DD  step 236494999 load imb.: force 18.4%  pme mesh/force 0.742
           Step           Time
      236495000   472990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93332e+03    1.92667e+04    1.29937e+04    1.20832e+03   -3.04383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88694e+03    9.25525e+04    4.02296e+05   -2.34258e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64965e+04   -2.44846e+06    4.79406e+05   -1.96905e+06    2.51954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10808e+02   -2.07989e+02    5.81551e+01    5.33105e-06


DD  step 236499999 load imb.: force 18.2%  pme mesh/force 0.707
           Step           Time
      236500000   473000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06297e+03    1.94819e+04    1.28940e+04    1.20053e+03   -2.89284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75115e+03    9.25831e+04    3.99972e+05   -2.34155e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66376e+04   -2.44683e+06    4.78247e+05   -1.96859e+06    2.51961e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10056e+02   -2.07805e+02   -7.13971e+00    5.21025e-06


DD  step 236504999 load imb.: force 19.1%  pme mesh/force 0.736
           Step           Time
      236505000   473010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77582e+03    1.95041e+04    1.31758e+04    1.15926e+03   -3.07809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76271e+03    9.23960e+04    3.98671e+05   -2.33969e+04   -2.97443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64577e+04   -2.44700e+06    4.77888e+05   -1.96912e+06    2.51966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09823e+02   -2.07476e+02   -6.86201e+01    5.20387e-06


DD  step 236509999 load imb.: force 19.3%  pme mesh/force 0.710
           Step           Time
      236510000   473020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01037e+03    1.91179e+04    1.31351e+04    1.18203e+03   -2.94183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70660e+03    9.25650e+04    3.99991e+05   -2.33957e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65353e+04   -2.45161e+06    4.77805e+05   -1.97380e+06    2.51972e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09770e+02   -2.07455e+02   -1.03294e+02    5.09688e-06


DD  step 236514999 load imb.: force 16.9%  pme mesh/force 0.707
           Step           Time
      236515000   473030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91292e+03    1.97619e+04    1.30390e+04    1.12152e+03   -3.10821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87066e+03    9.22470e+04    4.01800e+05   -2.33250e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65771e+04   -2.44494e+06    4.78350e+05   -1.96659e+06    2.51978e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10123e+02   -2.06204e+02    5.92493e+01    5.12803e-06


DD  step 236519999 load imb.: force 18.4%  pme mesh/force 0.752
           Step           Time
      236520000   473040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99115e+03    1.93361e+04    1.31199e+04    1.20916e+03   -2.96493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02513e+03    9.35115e+04    4.02353e+05   -2.33761e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65499e+04   -2.44605e+06    4.81283e+05   -1.96477e+06    2.51983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12024e+02   -2.07108e+02    1.42971e+02    5.37072e-06


DD  step 236524999 load imb.: force 19.0%  pme mesh/force 0.732
           Step           Time
      236525000   473050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02299e+03    1.97959e+04    1.30517e+04    1.17262e+03   -3.09051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84017e+03    9.26014e+04    3.99500e+05   -2.33962e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66496e+04   -2.44704e+06    4.79680e+05   -1.96736e+06    2.51990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10985e+02   -2.07464e+02   -2.78302e+00    5.19309e-06


DD  step 236529999 load imb.: force 18.7%  pme mesh/force 0.746
           Step           Time
      236530000   473060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94130e+03    1.93999e+04    1.31298e+04    1.16176e+03   -3.08936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89559e+03    9.28247e+04    4.01097e+05   -2.33732e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65435e+04   -2.44712e+06    4.79318e+05   -1.96781e+06    2.51995e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.07057e+02    3.20520e+01    5.28892e-06


DD  step 236534999 load imb.: force 16.2%  pme mesh/force 0.724
           Step           Time
      236535000   473070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88012e+03    1.95501e+04    1.29597e+04    1.22159e+03   -3.08508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80911e+03    9.29767e+04    3.99125e+05   -2.33909e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62813e+04   -2.44872e+06    4.79245e+05   -1.96947e+06    2.52001e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.07371e+02   -9.47757e+01    5.26023e-06


DD  step 236539999 load imb.: force 18.1%  pme mesh/force 0.746
           Step           Time
      236540000   473080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81248e+03    1.95823e+04    1.32431e+04    1.23647e+03   -3.07050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80024e+03    9.23551e+04    3.99277e+05   -2.33510e+04   -2.97432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65030e+04   -2.44593e+06    4.80785e+05   -1.96515e+06    2.52006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11701e+02   -2.06664e+02   -1.10762e+01    5.26900e-06


DD  step 236544999 load imb.: force 19.9%  pme mesh/force 0.751
           Step           Time
      236545000   473090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89527e+03    1.95421e+04    1.28985e+04    1.15571e+03   -2.90784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89952e+03    9.23519e+04    4.00288e+05   -2.33853e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63631e+04   -2.44714e+06    4.78195e+05   -1.96895e+06    2.52012e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10022e+02   -2.07270e+02    3.06124e+01    5.17496e-06


DD  step 236549999 load imb.: force 17.9%  pme mesh/force 0.715
           Step           Time
      236550000   473100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06596e+03    1.95590e+04    1.29867e+04    1.23605e+03   -2.95928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84642e+03    9.24154e+04    4.01227e+05   -2.33892e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65355e+04   -2.44888e+06    4.80286e+05   -1.96859e+06    2.52018e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.07339e+02   -1.85871e+01    5.22712e-06


DD  step 236554999 load imb.: force 19.4%  pme mesh/force 0.727
           Step           Time
      236555000   473110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23178e+03    1.96396e+04    1.30433e+04    1.19325e+03   -3.13869e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90560e+03    9.20397e+04    3.99772e+05   -2.33344e+04   -2.97291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63213e+04   -2.44424e+06    4.80031e+05   -1.96421e+06    2.52024e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11212e+02   -2.06371e+02   -1.27481e+01    5.23012e-06


DD  step 236559999 load imb.: force 19.0%  pme mesh/force 0.755
           Step           Time
      236560000   473120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21114e+03    1.96013e+04    1.30082e+04    1.19795e+03   -2.97716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81219e+03    9.23999e+04    3.98943e+05   -2.33332e+04   -2.97300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65888e+04   -2.44455e+06    4.81505e+05   -1.96305e+06    2.52030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12168e+02   -2.06349e+02   -1.68125e+01    5.08813e-06


DD  step 236564999 load imb.: force 18.4%  pme mesh/force 0.736
           Step           Time
      236565000   473130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92553e+03    1.90313e+04    1.29165e+04    1.22509e+03   -3.01591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98889e+03    9.22614e+04    3.99478e+05   -2.33712e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65631e+04   -2.44671e+06    4.79274e+05   -1.96743e+06    2.52035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10722e+02   -2.07022e+02   -1.79707e+01    5.29183e-06


DD  step 236569999 load imb.: force 19.6%  pme mesh/force 0.776
           Step           Time
      236570000   473140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98248e+03    1.93558e+04    1.31766e+04    1.17561e+03   -2.98383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81173e+03    9.24590e+04    3.98560e+05   -2.33797e+04   -2.97334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64511e+04   -2.44573e+06    4.79794e+05   -1.96594e+06    2.52040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11059e+02   -2.07171e+02    4.56723e+00    5.38467e-06


DD  step 236574999 load imb.: force 18.7%  pme mesh/force 0.733
           Step           Time
      236575000   473150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20782e+03    1.92483e+04    1.31312e+04    1.18637e+03   -3.08490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79714e+03    9.18997e+04    4.00845e+05   -2.33679e+04   -2.97580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66041e+04   -2.44633e+06    4.77387e+05   -1.96895e+06    2.52047e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09499e+02   -2.06963e+02   -3.68966e+01    5.34004e-06


DD  step 236579999 load imb.: force 18.2%  pme mesh/force 0.734
           Step           Time
      236580000   473160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20180e+03    1.95769e+04    1.30489e+04    1.18247e+03   -3.03559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71871e+03    9.21958e+04    4.01651e+05   -2.34406e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66593e+04   -2.44793e+06    4.79793e+05   -1.96814e+06    2.52052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11059e+02   -2.08250e+02    6.74831e+01    5.29069e-06


DD  step 236584999 load imb.: force 17.4%  pme mesh/force 0.715
           Step           Time
      236585000   473170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09711e+03    1.93238e+04    1.29867e+04    1.18495e+03   -3.07189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83695e+03    9.26609e+04    3.98667e+05   -2.33842e+04   -2.97475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62999e+04   -2.44715e+06    4.80340e+05   -1.96681e+06    2.52058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.07252e+02   -6.51777e+01    5.29424e-06


DD  step 236589999 load imb.: force 18.4%  pme mesh/force 0.760
           Step           Time
      236590000   473180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99607e+03    1.94454e+04    1.32540e+04    1.15886e+03   -3.07144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76974e+03    9.21587e+04    3.97873e+05   -2.33104e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63741e+04   -2.44781e+06    4.79774e+05   -1.96804e+06    2.52064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11046e+02   -2.05947e+02   -1.42555e+02    5.13027e-06


DD  step 236594999 load imb.: force 19.5%  pme mesh/force 0.769
           Step           Time
      236595000   473190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97800e+03    1.93223e+04    1.29527e+04    1.22266e+03   -3.09856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96620e+03    9.24508e+04    4.00790e+05   -2.33989e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65385e+04   -2.44671e+06    4.79261e+05   -1.96745e+06    2.52069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.07511e+02    6.63994e+01    5.33210e-06


DD  step 236599999 load imb.: force 17.7%  pme mesh/force 0.746
           Step           Time
      236600000   473200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77748e+03    1.98856e+04    1.29843e+04    1.13480e+03   -3.00127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78847e+03    9.27468e+04    4.02240e+05   -2.33941e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65945e+04   -2.44553e+06    4.83374e+05   -1.96216e+06    2.52075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13380e+02   -2.07426e+02    1.09142e+02    5.15407e-06


DD  step 236604999 load imb.: force 19.2%  pme mesh/force 0.750
           Step           Time
      236605000   473210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99348e+03    1.97638e+04    1.31783e+04    1.17199e+03   -3.07744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87018e+03    9.23803e+04    4.00585e+05   -2.33646e+04   -2.97469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64596e+04   -2.44473e+06    4.80300e+05   -1.96443e+06    2.52081e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11387e+02   -2.06905e+02   -9.72487e+00    5.28387e-06


DD  step 236609999 load imb.: force 16.5%  pme mesh/force 0.714
           Step           Time
      236610000   473220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04621e+03    1.93956e+04    1.30558e+04    1.30121e+03   -3.15345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89964e+03    9.19586e+04    4.00890e+05   -2.33492e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64504e+04   -2.44482e+06    4.80386e+05   -1.96443e+06    2.52087e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11443e+02   -2.06632e+02   -1.43187e+01    4.99411e-06


DD  step 236614999 load imb.: force 17.6%  pme mesh/force 0.727
           Step           Time
      236615000   473230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09411e+03    1.94530e+04    1.29310e+04    1.14108e+03   -3.13560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82204e+03    9.23207e+04    4.01742e+05   -2.34048e+04   -2.97961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62889e+04   -2.44936e+06    4.78526e+05   -1.97083e+06    2.52093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.07617e+02   -4.38927e+00    5.27858e-06


DD  step 236619999 load imb.: force 21.2%  pme mesh/force 0.791
           Step           Time
      236620000   473240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17472e+03    1.94729e+04    1.30185e+04    1.05134e+03   -3.02547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70973e+03    9.18816e+04    4.02076e+05   -2.33521e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67319e+04   -2.44757e+06    4.80099e+05   -1.96747e+06    2.52098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11257e+02   -2.06683e+02   -2.82776e+01    5.17043e-06


DD  step 236624999 load imb.: force 19.9%  pme mesh/force 0.753
           Step           Time
      236625000   473250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89609e+03    1.94403e+04    1.30750e+04    1.17826e+03   -3.10463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83022e+03    9.28864e+04    4.02160e+05   -2.33758e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64534e+04   -2.44706e+06    4.80317e+05   -1.96675e+06    2.52104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11398e+02   -2.07103e+02    5.14304e+01    5.36471e-06


DD  step 236629999 load imb.: force 16.9%  pme mesh/force 0.738
           Step           Time
      236630000   473260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88937e+03    1.98165e+04    1.30721e+04    1.16707e+03   -3.13025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86176e+03    9.20391e+04    4.00240e+05   -2.33422e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65898e+04   -2.44518e+06    4.79958e+05   -1.96522e+06    2.52109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11165e+02   -2.06508e+02   -8.68683e-01    5.16700e-06


DD  step 236634999 load imb.: force 17.5%  pme mesh/force 0.758
           Step           Time
      236635000   473270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85972e+03    1.96902e+04    1.32142e+04    1.14915e+03   -2.97295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73714e+03    9.24308e+04    3.98846e+05   -2.33646e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65188e+04   -2.44812e+06    4.79571e+05   -1.96855e+06    2.52115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10914e+02   -2.06904e+02   -6.64505e+01    5.33879e-06


DD  step 236639999 load imb.: force 18.1%  pme mesh/force 0.747
           Step           Time
      236640000   473280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01310e+03    1.98532e+04    1.30246e+04    1.11952e+03   -3.03541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83353e+03    9.22910e+04    3.99912e+05   -2.33858e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65573e+04   -2.44659e+06    4.79724e+05   -1.96687e+06    2.52121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11014e+02   -2.07279e+02    1.76766e+01    5.25150e-06


DD  step 236644999 load imb.: force 16.8%  pme mesh/force 0.726
           Step           Time
      236645000   473290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32422e+03    1.97309e+04    1.30309e+04    1.20367e+03   -3.07738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71840e+03    9.20953e+04    3.98462e+05   -2.33824e+04   -2.97223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66608e+04   -2.44446e+06    4.79450e+05   -1.96501e+06    2.52127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10836e+02   -2.07219e+02   -3.79750e+01    5.06932e-06


DD  step 236649999 load imb.: force 18.1%  pme mesh/force 0.757
           Step           Time
      236650000   473300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23107e+03    1.97039e+04    1.29615e+04    1.21486e+03   -2.98630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81347e+03    9.21229e+04    4.02446e+05   -2.33993e+04   -2.97915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65716e+04   -2.44747e+06    4.80127e+05   -1.96735e+06    2.52133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07518e+02    8.61335e+01    4.96335e-06


DD  step 236654999 load imb.: force 16.9%  pme mesh/force 0.731
           Step           Time
      236655000   473310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83865e+03    1.94800e+04    1.30816e+04    1.28389e+03   -3.07873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87108e+03    9.24665e+04    4.00249e+05   -2.33814e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65907e+04   -2.44670e+06    4.78795e+05   -1.96791e+06    2.52138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10411e+02   -2.07202e+02    2.35564e+01    5.18488e-06


DD  step 236659999 load imb.: force 18.6%  pme mesh/force 0.721
           Step           Time
      236660000   473320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02970e+03    1.96016e+04    1.30743e+04    1.19797e+03   -3.21966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72026e+03    9.19504e+04    3.98912e+05   -2.34346e+04   -2.97289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64797e+04   -2.44558e+06    4.80194e+05   -1.96539e+06    2.52143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11318e+02   -2.08145e+02   -1.40382e+01    5.21263e-06


DD  step 236664999 load imb.: force 17.3%  pme mesh/force 0.765
           Step           Time
      236665000   473330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05787e+03    1.92676e+04    1.31265e+04    1.20670e+03   -3.19804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91089e+03    9.22426e+04    3.98745e+05   -2.34200e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64255e+04   -2.44925e+06    4.77884e+05   -1.97137e+06    2.52149e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09821e+02   -2.07886e+02   -2.77584e+01    5.08478e-06


DD  step 236669999 load imb.: force 17.3%  pme mesh/force 0.729
           Step           Time
      236670000   473340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95482e+03    2.00175e+04    1.31245e+04    1.19357e+03   -3.17278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77766e+03    9.17039e+04    4.01614e+05   -2.33928e+04   -2.97706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65858e+04   -2.44665e+06    4.81216e+05   -1.96543e+06    2.52155e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11981e+02   -2.07403e+02    3.47258e+01    5.26344e-06


DD  step 236674999 load imb.: force 18.0%  pme mesh/force 0.753
           Step           Time
      236675000   473350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95396e+03    1.97642e+04    1.31705e+04    1.23106e+03   -3.13418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89846e+03    9.23006e+04    4.04026e+05   -2.34070e+04   -2.98139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64616e+04   -2.44813e+06    4.79462e+05   -1.96866e+06    2.52161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.07655e+02    1.18595e+02    5.37845e-06


DD  step 236679999 load imb.: force 17.5%  pme mesh/force 0.750
           Step           Time
      236680000   473360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15758e+03    1.92199e+04    1.31758e+04    1.15064e+03   -3.13709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86471e+03    9.25511e+04    4.01517e+05   -2.34063e+04   -2.97825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65781e+04   -2.44758e+06    4.79348e+05   -1.96823e+06    2.52167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.07643e+02    1.75693e+01    5.27502e-06


DD  step 236684999 load imb.: force 19.6%  pme mesh/force 0.771
           Step           Time
      236685000   473370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86885e+03    1.93928e+04    1.30400e+04    1.16878e+03   -3.18886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76573e+03    9.25193e+04    3.99825e+05   -2.33640e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66411e+04   -2.44752e+06    4.79181e+05   -1.96834e+06    2.52172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10661e+02   -2.06894e+02   -6.35641e+01    5.24006e-06


DD  step 236689999 load imb.: force 16.9%  pme mesh/force 0.712
           Step           Time
      236690000   473380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00772e+03    1.96147e+04    1.30054e+04    1.31342e+03   -3.05451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95048e+03    9.30823e+04    3.99581e+05   -2.33929e+04   -2.97306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66165e+04   -2.44333e+06    4.82498e+05   -1.96083e+06    2.52178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12812e+02   -2.07405e+02    8.35235e+01    5.33498e-06


DD  step 236694999 load imb.: force 18.6%  pme mesh/force 0.747
           Step           Time
      236695000   473390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17479e+03    1.92138e+04    1.29511e+04    1.18588e+03   -2.97674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79990e+03    9.27926e+04    3.99443e+05   -2.34338e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63031e+04   -2.45083e+06    4.78085e+05   -1.97275e+06    2.52184e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09951e+02   -2.08130e+02   -8.44039e+01    5.25968e-06


DD  step 236699999 load imb.: force 17.8%  pme mesh/force 0.746
           Step           Time
      236700000   473400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86252e+03    1.94085e+04    1.31043e+04    1.21863e+03   -3.06942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87422e+03    9.24749e+04    3.99203e+05   -2.33587e+04   -2.97459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64208e+04   -2.44646e+06    4.76615e+05   -1.96984e+06    2.52189e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08998e+02   -2.06800e+02   -5.17613e+01    5.28441e-06


DD  step 236704999 load imb.: force 18.5%  pme mesh/force 0.736
           Step           Time
      236705000   473410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92287e+03    1.95146e+04    1.31031e+04    1.18912e+03   -2.99424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73498e+03    9.24893e+04    4.00516e+05   -2.33688e+04   -2.97983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62838e+04   -2.45043e+06    4.78036e+05   -1.97240e+06    2.52195e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09920e+02   -2.06979e+02   -4.91590e+01    5.35344e-06


DD  step 236709999 load imb.: force 18.6%  pme mesh/force 0.741
           Step           Time
      236710000   473420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14963e+03    1.90321e+04    1.31108e+04    1.13490e+03   -3.08131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80699e+03    9.31965e+04    4.00452e+05   -2.34174e+04   -2.97939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65440e+04   -2.44946e+06    4.79318e+05   -1.97014e+06    2.52200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.07840e+02   -1.64851e+00    5.51538e-06


DD  step 236714999 load imb.: force 18.3%  pme mesh/force 0.766
           Step           Time
      236715000   473430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88507e+03    1.93396e+04    1.30952e+04    1.14512e+03   -3.07023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98346e+03    9.29368e+04    4.00153e+05   -2.34449e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61948e+04   -2.44846e+06    4.79282e+05   -1.96918e+06    2.52206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10727e+02   -2.08328e+02    3.50238e+01    5.42793e-06


DD  step 236719999 load imb.: force 19.2%  pme mesh/force 0.755
           Step           Time
      236720000   473440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14966e+03    1.96881e+04    1.31704e+04    1.19489e+03   -3.01868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77407e+03    9.23831e+04    3.99293e+05   -2.33898e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65381e+04   -2.44560e+06    4.81740e+05   -1.96386e+06    2.52212e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12321e+02   -2.07350e+02   -3.04566e+01    5.31237e-06


DD  step 236724999 load imb.: force 19.9%  pme mesh/force 0.770
           Step           Time
      236725000   473450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22140e+03    1.93025e+04    1.30978e+04    1.17731e+03   -3.06500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90309e+03    9.29590e+04    4.00732e+05   -2.34084e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64397e+04   -2.44778e+06    4.79365e+05   -1.96842e+06    2.52218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10781e+02   -2.07680e+02    1.57510e+01    5.31522e-06


DD  step 236729999 load imb.: force 17.5%  pme mesh/force 0.755
           Step           Time
      236730000   473460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72850e+03    1.90725e+04    1.30373e+04    1.13369e+03   -3.14432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98623e+03    9.29693e+04    4.02404e+05   -2.34103e+04   -2.98124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65994e+04   -2.44986e+06    4.79580e+05   -1.97028e+06    2.52224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.07713e+02    5.78339e+01    5.25304e-06


DD  step 236734999 load imb.: force 18.4%  pme mesh/force 0.749
           Step           Time
      236735000   473470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09338e+03    1.92743e+04    1.31368e+04    1.20718e+03   -3.09354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89376e+03    9.24428e+04    3.99284e+05   -2.33791e+04   -2.97417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65086e+04   -2.44581e+06    4.79693e+05   -1.96611e+06    2.52229e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.07161e+02   -5.14690e+00    5.26132e-06


DD  step 236739999 load imb.: force 21.1%  pme mesh/force 0.752
           Step           Time
      236740000   473480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70298e+03    1.96340e+04    1.31361e+04    1.22667e+03   -3.14444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90905e+03    9.25953e+04    4.02510e+05   -2.33654e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65382e+04   -2.44539e+06    4.81451e+05   -1.96393e+06    2.52235e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12134e+02   -2.06918e+02    8.58227e+01    5.40009e-06


DD  step 236744999 load imb.: force 18.7%  pme mesh/force 0.748
           Step           Time
      236745000   473490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15062e+03    1.98073e+04    1.30874e+04    1.18025e+03   -3.08784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82257e+03    9.18174e+04    4.01969e+05   -2.34045e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63612e+04   -2.44864e+06    4.81704e+05   -1.96694e+06    2.52241e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12297e+02   -2.07610e+02    8.34191e+01    5.17836e-06


DD  step 236749999 load imb.: force 18.3%  pme mesh/force 0.760
           Step           Time
      236750000   473500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92726e+03    1.91163e+04    1.32948e+04    1.19065e+03   -3.08904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01590e+03    9.25547e+04    4.01344e+05   -2.33791e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64999e+04   -2.44766e+06    4.77034e+05   -1.97062e+06    2.52247e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09270e+02   -2.07161e+02    4.01972e+01    5.13565e-06


DD  step 236754999 load imb.: force 17.9%  pme mesh/force 0.758
           Step           Time
      236755000   473510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11888e+03    1.97262e+04    1.30588e+04    1.20534e+03   -3.06792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81638e+03    9.23137e+04    3.99672e+05   -2.33859e+04   -2.97273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64380e+04   -2.44384e+06    4.81354e+05   -1.96248e+06    2.52252e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12070e+02   -2.07281e+02    1.47934e+01    5.25317e-06


DD  step 236759999 load imb.: force 19.8%  pme mesh/force 0.758
           Step           Time
      236760000   473520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14747e+03    1.93278e+04    1.31063e+04    1.18736e+03   -3.20076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90618e+03    9.22890e+04    4.00989e+05   -2.33859e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64597e+04   -2.44783e+06    4.79533e+05   -1.96830e+06    2.52258e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10890e+02   -2.07282e+02    1.51945e+01    5.39255e-06


DD  step 236764999 load imb.: force 18.6%  pme mesh/force 0.749
           Step           Time
      236765000   473530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94243e+03    1.92809e+04    1.30276e+04    1.16711e+03   -3.12383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76613e+03    9.20964e+04    3.99510e+05   -2.33542e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64530e+04   -2.44796e+06    4.78828e+05   -1.96913e+06    2.52264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10433e+02   -2.06720e+02   -4.59748e+01    5.46322e-06


DD  step 236769999 load imb.: force 18.2%  pme mesh/force 0.767
           Step           Time
      236770000   473540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03677e+03    1.91909e+04    1.31058e+04    1.21624e+03   -3.06021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80932e+03    9.23762e+04    4.00288e+05   -2.33688e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65625e+04   -2.44873e+06    4.80957e+05   -1.96777e+06    2.52269e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.06979e+02   -2.86008e+01    5.25323e-06


DD  step 236774999 load imb.: force 17.4%  pme mesh/force 0.760
           Step           Time
      236775000   473550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92006e+03    1.95523e+04    1.31679e+04    1.24220e+03   -3.16593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92516e+03    9.25451e+04    3.99132e+05   -2.33707e+04   -2.97240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65692e+04   -2.44388e+06    4.77698e+05   -1.96619e+06    2.52276e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09700e+02   -2.07013e+02   -9.81032e+00    5.27236e-06

Writing checkpoint, step 236776100 at Wed Nov  8 08:01:28 2023



DD  step 236779999 load imb.: force 18.5%  pme mesh/force 0.762
           Step           Time
      236780000   473560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05377e+03    1.98001e+04    1.32921e+04    1.26633e+03   -3.07665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81904e+03    9.24447e+04    3.99850e+05   -2.33559e+04   -2.97306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65720e+04   -2.44340e+06    4.81197e+05   -1.96220e+06    2.52281e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11969e+02   -2.06751e+02    3.86300e+01    5.37630e-06


DD  step 236784999 load imb.: force 18.1%  pme mesh/force 0.746
           Step           Time
      236785000   473570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08312e+03    1.91983e+04    1.30864e+04    1.14453e+03   -3.20400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79590e+03    9.21259e+04    3.99535e+05   -2.34092e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63600e+04   -2.44970e+06    4.77764e+05   -1.97194e+06    2.52287e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09743e+02   -2.07694e+02   -3.10999e+01    5.23759e-06


DD  step 236789999 load imb.: force 19.8%  pme mesh/force 0.742
           Step           Time
      236790000   473580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78106e+03    1.94318e+04    1.30677e+04    1.18877e+03   -3.07935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81924e+03    9.26268e+04    4.02521e+05   -2.33837e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64033e+04   -2.44742e+06    4.79716e+05   -1.96770e+06    2.52293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11009e+02   -2.07243e+02    6.90158e+01    5.40428e-06


DD  step 236794999 load imb.: force 19.5%  pme mesh/force 0.733
           Step           Time
      236795000   473590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79262e+03    1.93312e+04    1.30820e+04    1.16887e+03   -3.05391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87350e+03    9.24236e+04    3.99820e+05   -2.33859e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64849e+04   -2.44812e+06    4.79009e+05   -1.96911e+06    2.52299e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10550e+02   -2.07280e+02   -3.05136e+00    5.23281e-06


DD  step 236799999 load imb.: force 18.7%  pme mesh/force 0.723
           Step           Time
      236800000   473600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02118e+03    1.90997e+04    1.31313e+04    1.18993e+03   -3.06529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88540e+03    9.25262e+04    3.96884e+05   -2.33845e+04   -2.97028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66558e+04   -2.44433e+06    4.79806e+05   -1.96453e+06    2.52304e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11067e+02   -2.07257e+02   -9.17867e+01    5.39619e-06


DD  step 236804999 load imb.: force 17.7%  pme mesh/force 0.712
           Step           Time
      236805000   473610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00194e+03    1.92261e+04    1.30750e+04    1.16186e+03   -3.00315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87313e+03    9.27465e+04    4.01294e+05   -2.34293e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64260e+04   -2.44862e+06    4.79726e+05   -1.96889e+06    2.52310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11015e+02   -2.08050e+02    5.44969e+01    5.48844e-06


DD  step 236809999 load imb.: force 16.4%  pme mesh/force 0.724
           Step           Time
      236810000   473620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04111e+03    1.93287e+04    1.30601e+04    1.20060e+03   -3.11734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84911e+03    9.23535e+04    4.00577e+05   -2.33924e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63414e+04   -2.44708e+06    4.80214e+05   -1.96687e+06    2.52316e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11331e+02   -2.07396e+02    2.73119e+00    5.35129e-06


DD  step 236814999 load imb.: force 18.3%  pme mesh/force 0.734
           Step           Time
      236815000   473630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99799e+03    1.96754e+04    1.30228e+04    1.22795e+03   -3.11266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86162e+03    9.24347e+04    3.97874e+05   -2.33689e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66351e+04   -2.44852e+06    4.80801e+05   -1.96772e+06    2.52322e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11712e+02   -2.06980e+02   -1.23253e+02    5.40194e-06


DD  step 236819999 load imb.: force 18.7%  pme mesh/force 0.740
           Step           Time
      236820000   473640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04594e+03    1.95833e+04    1.30281e+04    1.18792e+03   -3.08955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87368e+03    9.23521e+04    4.02582e+05   -2.33503e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66750e+04   -2.44579e+06    4.81557e+05   -1.96424e+06    2.52327e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12202e+02   -2.06651e+02    2.19825e+01    5.45932e-06


DD  step 236824999 load imb.: force 18.3%  pme mesh/force 0.736
           Step           Time
      236825000   473650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34286e+03    1.91536e+04    1.30533e+04    1.08477e+03   -3.05387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94740e+03    9.26214e+04    4.02204e+05   -2.34234e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63924e+04   -2.44732e+06    4.80826e+05   -1.96649e+06    2.52333e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11728e+02   -2.07945e+02    7.11546e+01    5.45807e-06


DD  step 236829999 load imb.: force 16.1%  pme mesh/force 0.718
           Step           Time
      236830000   473660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08821e+03    1.94525e+04    1.31222e+04    1.19602e+03   -3.08223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01205e+03    9.30493e+04    3.99477e+05   -2.33828e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65373e+04   -2.44580e+06    4.78401e+05   -1.96740e+06    2.52339e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10156e+02   -2.07227e+02    1.07990e+01    5.34436e-06


DD  step 236834999 load imb.: force 17.3%  pme mesh/force 0.756
           Step           Time
      236835000   473670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87386e+03    1.96619e+04    1.31688e+04    1.15998e+03   -3.10375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88738e+03    9.26281e+04    3.99779e+05   -2.33592e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64904e+04   -2.44547e+06    4.78544e+05   -1.96693e+06    2.52345e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.06809e+02    1.84244e+01    5.47952e-06


DD  step 236839999 load imb.: force 19.4%  pme mesh/force 0.759
           Step           Time
      236840000   473680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88870e+03    1.93665e+04    1.31372e+04    1.13666e+03   -3.11499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78535e+03    9.29001e+04    4.00379e+05   -2.33562e+04   -2.97396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66743e+04   -2.44416e+06    4.81212e+05   -1.96295e+06    2.52350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11978e+02   -2.06756e+02    4.59232e+01    5.29162e-06


DD  step 236844999 load imb.: force 19.9%  pme mesh/force 0.752
           Step           Time
      236845000   473690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83428e+03    1.95802e+04    1.31843e+04    1.15845e+03   -3.15196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93731e+03    9.23154e+04    4.03119e+05   -2.33975e+04   -2.98193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64887e+04   -2.44987e+06    4.78819e+05   -1.97105e+06    2.52356e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10427e+02   -2.07486e+02    5.32706e+01    5.51496e-06


DD  step 236849999 load imb.: force 17.6%  pme mesh/force 0.750
           Step           Time
      236850000   473700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76645e+03    1.95828e+04    1.31887e+04    1.12798e+03   -3.13477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84521e+03    9.25542e+04    4.02081e+05   -2.33976e+04   -2.97951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64191e+04   -2.44848e+06    4.78215e+05   -1.97026e+06    2.52362e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10036e+02   -2.07489e+02    4.03907e+01    5.46751e-06


DD  step 236854999 load imb.: force 18.8%  pme mesh/force 0.762
           Step           Time
      236855000   473710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72187e+03    1.92884e+04    1.31085e+04    1.25326e+03   -3.14413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95240e+03    9.26744e+04    3.99603e+05   -2.34042e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65535e+04   -2.44664e+06    4.79110e+05   -1.96753e+06    2.52367e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10616e+02   -2.07606e+02    4.83295e+01    5.39403e-06


DD  step 236859999 load imb.: force 17.3%  pme mesh/force 0.755
           Step           Time
      236860000   473720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01440e+03    1.95308e+04    1.30198e+04    1.18000e+03   -3.01149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80860e+03    9.24861e+04    3.97619e+05   -2.33748e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67047e+04   -2.44817e+06    4.81359e+05   -1.96681e+06    2.52373e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12074e+02   -2.07086e+02   -6.58468e+01    5.44630e-06


DD  step 236864999 load imb.: force 17.6%  pme mesh/force 0.742
           Step           Time
      236865000   473730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91901e+03    1.92660e+04    1.30153e+04    1.22547e+03   -3.00893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84837e+03    9.28497e+04    3.99839e+05   -2.34007e+04   -2.97851e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66294e+04   -2.44933e+06    4.78066e+05   -1.97126e+06    2.52379e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09938e+02   -2.07542e+02   -1.43885e+01    5.48023e-06


DD  step 236869999 load imb.: force 15.2%  pme mesh/force 0.721
           Step           Time
      236870000   473740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86699e+03    1.93423e+04    1.32243e+04    1.10420e+03   -3.12314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75375e+03    9.28603e+04    4.01073e+05   -2.33840e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64257e+04   -2.44542e+06    4.79462e+05   -1.96596e+06    2.52384e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.07248e+02    4.70281e+01    5.37524e-06


DD  step 236874999 load imb.: force 16.0%  pme mesh/force 0.722
           Step           Time
      236875000   473750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24847e+03    1.95291e+04    1.30589e+04    1.14127e+03   -3.16989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83556e+03    9.24094e+04    3.98933e+05   -2.33998e+04   -2.97386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64884e+04   -2.44578e+06    4.80152e+05   -1.96563e+06    2.52390e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.07527e+02   -3.10145e+01    5.33483e-06


DD  step 236879999 load imb.: force 16.5%  pme mesh/force 0.752
           Step           Time
      236880000   473760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97457e+03    1.93285e+04    1.29597e+04    1.09089e+03   -3.13394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93162e+03    9.25025e+04    4.01250e+05   -2.33974e+04   -2.97671e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62458e+04   -2.44696e+06    4.77954e+05   -1.96900e+06    2.52396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09866e+02   -2.07485e+02    3.89796e+01    5.41765e-06


DD  step 236884999 load imb.: force 19.3%  pme mesh/force 0.740
           Step           Time
      236885000   473770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30106e+03    1.94410e+04    1.31502e+04    1.16587e+03   -3.03546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87074e+03    9.23558e+04    3.98905e+05   -2.33161e+04   -2.97263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65910e+04   -2.44420e+06    4.78199e+05   -1.96600e+06    2.52402e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10025e+02   -2.06046e+02   -7.61253e+01    5.41636e-06


DD  step 236889999 load imb.: force 18.0%  pme mesh/force 0.777
           Step           Time
      236890000   473780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06858e+03    1.96026e+04    1.30903e+04    1.15632e+03   -3.05559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71603e+03    9.21415e+04    4.00954e+05   -2.34439e+04   -2.97830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61588e+04   -2.44891e+06    4.77707e+05   -1.97120e+06    2.52407e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09706e+02   -2.08310e+02    6.35663e+00    5.35247e-06


DD  step 236894999 load imb.: force 15.1%  pme mesh/force 0.740
           Step           Time
      236895000   473790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09012e+03    1.96302e+04    1.29802e+04    1.22837e+03   -3.07261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71562e+03    9.21339e+04    3.99745e+05   -2.34302e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65456e+04   -2.44570e+06    4.79337e+05   -1.96636e+06    2.52413e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10763e+02   -2.08066e+02   -3.17355e+01    5.43585e-06


DD  step 236899999 load imb.: force 17.5%  pme mesh/force 0.765
           Step           Time
      236900000   473800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05453e+03    1.94186e+04    1.30034e+04    1.16954e+03   -3.09793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78971e+03    9.20814e+04    4.02602e+05   -2.33785e+04   -2.98188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66703e+04   -2.45056e+06    4.81969e+05   -1.96859e+06    2.52419e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12469e+02   -2.07150e+02    1.79794e+01    5.31832e-06


DD  step 236904999 load imb.: force 18.7%  pme mesh/force 0.752
           Step           Time
      236905000   473810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24937e+03    1.93836e+04    1.31979e+04    1.18775e+03   -3.09771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89135e+03    9.22733e+04    4.01225e+05   -2.34154e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64340e+04   -2.44678e+06    4.80578e+05   -1.96620e+06    2.52424e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11567e+02   -2.07803e+02    3.99755e+01    5.43659e-06


DD  step 236909999 load imb.: force 18.3%  pme mesh/force 0.763
           Step           Time
      236910000   473820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13359e+03    1.92244e+04    1.29436e+04    1.06861e+03   -3.12530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74085e+03    9.21060e+04    3.99125e+05   -2.33623e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63566e+04   -2.44956e+06    4.80661e+05   -1.96890e+06    2.52430e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11621e+02   -2.06864e+02   -1.27050e+02    5.29935e-06


DD  step 236914999 load imb.: force 18.1%  pme mesh/force 0.764
           Step           Time
      236915000   473830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88058e+03    1.94537e+04    1.29070e+04    1.13112e+03   -3.07314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85247e+03    9.26631e+04    4.00568e+05   -2.33536e+04   -2.97953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63094e+04   -2.45020e+06    4.79593e+05   -1.97060e+06    2.52436e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.06710e+02   -3.90415e+01    5.29062e-06


DD  step 236919999 load imb.: force 18.9%  pme mesh/force 0.745
           Step           Time
      236920000   473840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20214e+03    1.92737e+04    1.30270e+04    1.17659e+03   -3.05360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88864e+03    9.25477e+04    3.97614e+05   -2.33832e+04   -2.97361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64924e+04   -2.44682e+06    4.80525e+05   -1.96630e+06    2.52442e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.07234e+02   -9.73061e+01    5.43497e-06


DD  step 236924999 load imb.: force 17.6%  pme mesh/force 0.743
           Step           Time
      236925000   473850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93798e+03    1.96984e+04    1.30034e+04    1.13384e+03   -3.07391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85517e+03    9.23571e+04    4.03340e+05   -2.33544e+04   -2.98076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65357e+04   -2.44833e+06    4.80735e+05   -1.96759e+06    2.52447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11669e+02   -2.06724e+02    7.31175e+01    5.39294e-06


DD  step 236929999 load imb.: force 17.1%  pme mesh/force 0.725
           Step           Time
      236930000   473860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32427e+03    1.98352e+04    1.31527e+04    1.17575e+03   -3.09036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70704e+03    9.19440e+04    4.02571e+05   -2.33941e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66759e+04   -2.44590e+06    4.81321e+05   -1.96458e+06    2.52454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12049e+02   -2.07427e+02    4.39790e+01    5.27603e-06


DD  step 236934999 load imb.: force 19.4%  pme mesh/force 0.733
           Step           Time
      236935000   473870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12131e+03    1.98768e+04    1.30304e+04    1.17247e+03   -3.17883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80660e+03    9.20806e+04    4.01659e+05   -2.33810e+04   -2.98056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65812e+04   -2.44979e+06    4.79797e+05   -1.96999e+06    2.52460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.07195e+02   -5.84801e+00    5.20810e-06


DD  step 236939999 load imb.: force 19.5%  pme mesh/force 0.751
           Step           Time
      236940000   473880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03977e+03    1.95552e+04    1.31870e+04    1.21241e+03   -3.11571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72291e+03    9.21515e+04    3.99900e+05   -2.34369e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64079e+04   -2.44946e+06    4.79742e+05   -1.96972e+06    2.52465e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11025e+02   -2.08185e+02    9.05070e+00    5.17427e-06


DD  step 236944999 load imb.: force 19.0%  pme mesh/force 0.740
           Step           Time
      236945000   473890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16125e+03    1.97460e+04    1.31010e+04    1.25266e+03   -3.16310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71598e+03    9.21802e+04    3.98233e+05   -2.33787e+04   -2.97245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63077e+04   -2.44529e+06    4.80184e+05   -1.96511e+06    2.52471e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11312e+02   -2.07154e+02   -5.12744e+01    5.23801e-06


DD  step 236949999 load imb.: force 18.8%  pme mesh/force 0.751
           Step           Time
      236950000   473900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21434e+03    1.94118e+04    1.29782e+04    1.21025e+03   -3.05173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83496e+03    9.18551e+04    4.02125e+05   -2.33903e+04   -2.97797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64221e+04   -2.44736e+06    4.79226e+05   -1.96814e+06    2.52477e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10691e+02   -2.07359e+02    2.31954e+01    5.39117e-06


DD  step 236954999 load imb.: force 16.5%  pme mesh/force 0.750
           Step           Time
      236955000   473910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87517e+03    1.96869e+04    1.31311e+04    1.30687e+03   -3.12300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85078e+03    9.23745e+04    4.00140e+05   -2.33718e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64968e+04   -2.44550e+06    4.78851e+05   -1.96665e+06    2.52483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10448e+02   -2.07032e+02    1.56049e+01    5.19236e-06


DD  step 236959999 load imb.: force 18.1%  pme mesh/force 0.736
           Step           Time
      236960000   473920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98327e+03    1.93538e+04    1.32198e+04    1.19560e+03   -3.03112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76850e+03    9.25102e+04    3.99992e+05   -2.33625e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62862e+04   -2.44632e+06    4.82316e+05   -1.96400e+06    2.52488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12694e+02   -2.06867e+02   -4.56758e+01    5.18926e-06


DD  step 236964999 load imb.: force 19.2%  pme mesh/force 0.755
           Step           Time
      236965000   473930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99862e+03    1.94516e+04    1.30164e+04    1.22019e+03   -3.07538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82326e+03    9.21066e+04    4.02967e+05   -2.34102e+04   -2.98197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63007e+04   -2.45057e+06    4.82130e+05   -1.96844e+06    2.52494e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12573e+02   -2.07712e+02    5.35910e+01    5.19882e-06


DD  step 236969999 load imb.: force 19.6%  pme mesh/force 0.734
           Step           Time
      236970000   473940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15673e+03    1.92497e+04    1.32190e+04    1.28534e+03   -3.12260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84848e+03    9.23601e+04    4.01508e+05   -2.33744e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63607e+04   -2.44914e+06    4.79167e+05   -1.96998e+06    2.52499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10653e+02   -2.07077e+02   -4.52686e+00    5.37711e-06


DD  step 236974999 load imb.: force 18.6%  pme mesh/force 0.746
           Step           Time
      236975000   473950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76712e+03    1.92959e+04    1.29383e+04    1.14270e+03   -3.16581e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83012e+03    9.21019e+04    3.99137e+05   -2.33848e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64639e+04   -2.44910e+06    4.81828e+05   -1.96727e+06    2.52505e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12377e+02   -2.07262e+02   -4.97229e+01    5.33094e-06


DD  step 236979999 load imb.: force 17.1%  pme mesh/force 0.723
           Step           Time
      236980000   473960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97618e+03    1.94336e+04    1.28512e+04    1.21098e+03   -2.98730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77327e+03    9.23227e+04    4.00868e+05   -2.34248e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63389e+04   -2.45084e+06    4.79760e+05   -1.97108e+06    2.52511e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11037e+02   -2.07970e+02    3.18418e+01    5.40242e-06


DD  step 236984999 load imb.: force 18.0%  pme mesh/force 0.739
           Step           Time
      236985000   473970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91075e+03    1.96942e+04    1.29671e+04    1.15915e+03   -3.15008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76802e+03    9.20838e+04    4.02261e+05   -2.33632e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66284e+04   -2.44688e+06    4.79029e+05   -1.96785e+06    2.52517e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10563e+02   -2.06880e+02    4.00621e+01    5.23964e-06


DD  step 236989999 load imb.: force 16.6%  pme mesh/force 0.726
           Step           Time
      236990000   473980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95761e+03    1.96052e+04    1.30908e+04    1.17096e+03   -3.05314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92842e+03    9.23696e+04    3.99858e+05   -2.34129e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62704e+04   -2.44706e+06    4.78572e+05   -1.96848e+06    2.52522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10267e+02   -2.07759e+02    3.37706e+01    5.38168e-06


DD  step 236994999 load imb.: force 16.9%  pme mesh/force 0.716
           Step           Time
      236995000   473990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21384e+03    1.96724e+04    1.32309e+04    1.22500e+03   -3.15964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81554e+03    9.23616e+04    4.00905e+05   -2.33516e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66055e+04   -2.44554e+06    4.80492e+05   -1.96504e+06    2.52528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11512e+02   -2.06675e+02    2.59421e+01    5.23459e-06


DD  step 236999999 load imb.: force 18.0%  pme mesh/force 0.727
           Step           Time
      237000000   474000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20927e+03    1.96235e+04    1.29621e+04    1.10548e+03   -3.01622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79299e+03    9.26043e+04    4.00428e+05   -2.33895e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65685e+04   -2.44558e+06    4.79000e+05   -1.96658e+06    2.52534e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10544e+02   -2.07345e+02    1.29347e+01    5.30638e-06


DD  step 237004999 load imb.: force 17.4%  pme mesh/force 0.696
           Step           Time
      237005000   474010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06469e+03    1.95538e+04    1.30754e+04    1.20258e+03   -3.15521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66330e+03    9.24727e+04    4.01673e+05   -2.34014e+04   -2.98085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63850e+04   -2.45032e+06    4.80350e+05   -1.96997e+06    2.52540e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11419e+02   -2.07555e+02   -4.26810e+01    5.15600e-06


DD  step 237009999 load imb.: force 18.0%  pme mesh/force 0.727
           Step           Time
      237010000   474020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80560e+03    1.96835e+04    1.31826e+04    1.20751e+03   -3.14243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80482e+03    9.20847e+04    4.00659e+05   -2.33477e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66347e+04   -2.44698e+06    4.80715e+05   -1.96626e+06    2.52545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11656e+02   -2.06606e+02    3.35380e+01    5.15525e-06


DD  step 237014999 load imb.: force 17.2%  pme mesh/force 0.703
           Step           Time
      237015000   474030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18258e+03    1.90313e+04    1.30807e+04    1.10828e+03   -3.15700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78876e+03    9.25495e+04    4.00283e+05   -2.33519e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63798e+04   -2.44879e+06    4.80721e+05   -1.96807e+06    2.52550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11660e+02   -2.06679e+02   -3.17579e+01    5.31860e-06


DD  step 237019999 load imb.: force 19.1%  pme mesh/force 0.699
           Step           Time
      237020000   474040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34250e+03    1.96702e+04    1.29455e+04    1.19186e+03   -3.08759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74541e+03    9.20772e+04    4.01046e+05   -2.33925e+04   -2.97684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65185e+04   -2.44678e+06    4.79210e+05   -1.96757e+06    2.52557e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10681e+02   -2.07398e+02    1.76413e+01    5.15920e-06


DD  step 237024999 load imb.: force 19.4%  pme mesh/force 0.741
           Step           Time
      237025000   474050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16115e+03    1.95097e+04    1.30304e+04    1.24625e+03   -3.02879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86984e+03    9.23253e+04    3.99658e+05   -2.33714e+04   -2.97358e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63339e+04   -2.44485e+06    4.78830e+05   -1.96602e+06    2.52562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.07024e+02   -6.26639e+00    5.25109e-06


DD  step 237029999 load imb.: force 19.1%  pme mesh/force 0.735
           Step           Time
      237030000   474060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71074e+03    1.94289e+04    1.33472e+04    1.30288e+03   -3.10934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02077e+03    9.25414e+04    4.00576e+05   -2.34039e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63881e+04   -2.44785e+06    4.77954e+05   -1.96990e+06    2.52568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09866e+02   -2.07601e+02    2.41433e+01    5.17639e-06


DD  step 237034999 load imb.: force 19.1%  pme mesh/force 0.752
           Step           Time
      237035000   474070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86374e+03    1.95350e+04    1.31697e+04    1.21352e+03   -3.00246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73033e+03    9.24679e+04    4.02481e+05   -2.34343e+04   -2.98143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64069e+04   -2.44999e+06    4.80422e+05   -1.96957e+06    2.52574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.08138e+02   -2.00496e+01    5.21718e-06


DD  step 237039999 load imb.: force 16.7%  pme mesh/force 0.723
           Step           Time
      237040000   474080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06463e+03    1.97591e+04    1.30344e+04    1.23745e+03   -3.02547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91932e+03    9.23674e+04    4.02193e+05   -2.33464e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64479e+04   -2.44535e+06    4.80211e+05   -1.96514e+06    2.52579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11329e+02   -2.06583e+02    7.53990e+01    5.37578e-06


DD  step 237044999 load imb.: force 16.4%  pme mesh/force 0.727
           Step           Time
      237045000   474090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71597e+03    1.94396e+04    1.30382e+04    1.25771e+03   -3.01071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02793e+03    9.25912e+04    4.00642e+05   -2.34028e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65132e+04   -2.44892e+06    4.80517e+05   -1.96840e+06    2.52585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11527e+02   -2.07580e+02    1.57467e+01    5.32807e-06


DD  step 237049999 load imb.: force 17.5%  pme mesh/force 0.721
           Step           Time
      237050000   474100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04854e+03    1.94266e+04    1.31659e+04    1.28158e+03   -3.03872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82864e+03    9.21748e+04    3.98571e+05   -2.33820e+04   -2.97226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64836e+04   -2.44470e+06    4.82405e+05   -1.96229e+06    2.52591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12752e+02   -2.07211e+02   -2.35839e+01    5.23455e-06


DD  step 237054999 load imb.: force 17.8%  pme mesh/force 0.723
           Step           Time
      237055000   474110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07229e+03    1.97500e+04    1.30203e+04    1.23999e+03   -2.98834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69900e+03    9.25323e+04    3.98184e+05   -2.33667e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61968e+04   -2.44712e+06    4.78824e+05   -1.96829e+06    2.52596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10430e+02   -2.06941e+02   -6.89383e+01    5.41237e-06


DD  step 237059999 load imb.: force 17.1%  pme mesh/force 0.746
           Step           Time
      237060000   474120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00612e+03    1.93847e+04    1.32554e+04    1.20466e+03   -3.07749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77296e+03    9.29011e+04    4.01805e+05   -2.34177e+04   -2.98027e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64250e+04   -2.44901e+06    4.80053e+05   -1.96896e+06    2.52603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.07845e+02    8.13087e+00    5.31105e-06


DD  step 237064999 load imb.: force 17.4%  pme mesh/force 0.726
           Step           Time
      237065000   474130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83525e+03    1.96381e+04    1.31570e+04    1.17025e+03   -3.20719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87834e+03    9.23032e+04    3.99804e+05   -2.33683e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66391e+04   -2.44534e+06    4.78395e+05   -1.96695e+06    2.52608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.06969e+02   -2.58511e+00    5.20801e-06


DD  step 237069999 load imb.: force 16.1%  pme mesh/force 0.727
           Step           Time
      237070000   474140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86233e+03    1.96572e+04    1.31701e+04    1.14712e+03   -3.04062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93379e+03    9.24239e+04    3.97818e+05   -2.33712e+04   -2.97146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66153e+04   -2.44424e+06    4.80616e+05   -1.96362e+06    2.52614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11592e+02   -2.07021e+02   -4.58337e+01    5.32514e-06


DD  step 237074999 load imb.: force 17.4%  pme mesh/force 0.731
           Step           Time
      237075000   474150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99114e+03    1.93130e+04    1.31234e+04    1.20702e+03   -3.01993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92904e+03    9.30366e+04    3.99998e+05   -2.33837e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63092e+04   -2.44805e+06    4.79126e+05   -1.96892e+06    2.52620e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10626e+02   -2.07242e+02   -1.24964e+01    5.24059e-06


DD  step 237079999 load imb.: force 17.3%  pme mesh/force 0.736
           Step           Time
      237080000   474160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11635e+03    1.98157e+04    1.32506e+04    1.21376e+03   -3.06831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86188e+03    9.25920e+04    3.97111e+05   -2.33494e+04   -2.96861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65662e+04   -2.44150e+06    4.80184e+05   -1.96132e+06    2.52626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11312e+02   -2.06636e+02   -6.17163e+01    5.32784e-06


DD  step 237084999 load imb.: force 18.3%  pme mesh/force 0.741
           Step           Time
      237085000   474170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01336e+03    1.94078e+04    1.31587e+04    1.09374e+03   -3.10551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88077e+03    9.27782e+04    4.00425e+05   -2.33927e+04   -2.97845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62821e+04   -2.44891e+06    4.78049e+05   -1.97086e+06    2.52631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09927e+02   -2.07402e+02    8.40465e+00    5.25603e-06


DD  step 237089999 load imb.: force 19.2%  pme mesh/force 0.738
           Step           Time
      237090000   474180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21214e+03    1.95633e+04    1.31906e+04    1.22662e+03   -3.27113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85632e+03    9.27382e+04    3.98680e+05   -2.33655e+04   -2.97322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63505e+04   -2.44504e+06    4.80017e+05   -1.96502e+06    2.52637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11203e+02   -2.06920e+02   -1.40936e+01    5.31208e-06


DD  step 237094999 load imb.: force 17.9%  pme mesh/force 0.752
           Step           Time
      237095000   474190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12164e+03    1.92542e+04    1.30917e+04    1.24051e+03   -3.06470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81031e+03    9.32367e+04    3.96924e+05   -2.33972e+04   -2.97321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64746e+04   -2.44652e+06    4.77928e+05   -1.96859e+06    2.52643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09849e+02   -2.07481e+02   -1.06747e+02    5.29281e-06


DD  step 237099999 load imb.: force 16.9%  pme mesh/force 0.718
           Step           Time
      237100000   474200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03137e+03    1.97938e+04    1.29683e+04    1.16998e+03   -3.06048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79266e+03    9.23808e+04    3.97890e+05   -2.33849e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64675e+04   -2.44665e+06    4.81671e+05   -1.96498e+06    2.52648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12276e+02   -2.07264e+02   -5.37626e+01    5.24219e-06

Writing checkpoint, step 237103800 at Wed Nov  8 08:16:28 2023



DD  step 237104999 load imb.: force 19.0%  pme mesh/force 0.764
           Step           Time
      237105000   474210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84826e+03    1.95839e+04    1.29867e+04    1.21551e+03   -3.08108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84351e+03    9.31008e+04    3.98857e+05   -2.33408e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64696e+04   -2.44521e+06    4.79629e+05   -1.96558e+06    2.52654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10952e+02   -2.06484e+02   -3.44673e+01    5.17933e-06


DD  step 237109999 load imb.: force 18.1%  pme mesh/force 0.761
           Step           Time
      237110000   474220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19572e+03    1.93506e+04    1.32466e+04    1.22982e+03   -3.15404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81238e+03    9.31060e+04    3.99097e+05   -2.33519e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64055e+04   -2.44718e+06    4.80290e+05   -1.96689e+06    2.52660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11380e+02   -2.06680e+02   -7.16358e+01    5.37805e-06


DD  step 237114999 load imb.: force 16.8%  pme mesh/force 0.781
           Step           Time
      237115000   474230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27655e+03    1.93289e+04    1.31717e+04    1.22894e+03   -3.08908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83838e+03    9.24537e+04    3.98356e+05   -2.33084e+04   -2.97251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66871e+04   -2.44457e+06    4.78803e+05   -1.96577e+06    2.52666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10416e+02   -2.05911e+02   -1.13075e+02    5.41654e-06


DD  step 237119999 load imb.: force 19.0%  pme mesh/force 0.786
           Step           Time
      237120000   474240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95053e+03    1.94443e+04    1.32106e+04    1.23396e+03   -3.07813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89600e+03    9.27967e+04    3.99735e+05   -2.33407e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66725e+04   -2.44527e+06    4.78651e+05   -1.96662e+06    2.52672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10318e+02   -2.06481e+02   -2.84588e+01    5.29350e-06


DD  step 237124999 load imb.: force 18.5%  pme mesh/force 0.726
           Step           Time
      237125000   474250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76794e+03    1.93070e+04    1.30163e+04    1.16352e+03   -3.05739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81152e+03    9.27259e+04    4.02932e+05   -2.34104e+04   -2.98281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67272e+04   -2.45083e+06    4.79041e+05   -1.97179e+06    2.52677e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.07715e+02    1.43402e+01    5.39695e-06


DD  step 237129999 load imb.: force 19.8%  pme mesh/force 0.759
           Step           Time
      237130000   474260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07530e+03    1.93931e+04    1.29852e+04    1.15053e+03   -3.06915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83487e+03    9.24358e+04    4.04061e+05   -2.33800e+04   -2.98199e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66100e+04   -2.44889e+06    4.79408e+05   -1.96949e+06    2.52683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10809e+02   -2.07177e+02    1.16499e+02    5.29321e-06


DD  step 237134999 load imb.: force 19.9%  pme mesh/force 0.738
           Step           Time
      237135000   474270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07783e+03    1.96789e+04    1.31326e+04    1.10397e+03   -2.95124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86981e+03    9.24938e+04    3.98454e+05   -2.33627e+04   -2.97386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66705e+04   -2.44570e+06    4.79608e+05   -1.96609e+06    2.52689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.06871e+02   -5.53743e+01    5.24765e-06


DD  step 237139999 load imb.: force 16.7%  pme mesh/force 0.754
           Step           Time
      237140000   474280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24488e+03    1.93364e+04    1.31679e+04    1.16030e+03   -3.06692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73761e+03    9.24013e+04    3.99164e+05   -2.33973e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64019e+04   -2.44798e+06    4.79514e+05   -1.96847e+06    2.52694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.07483e+02   -5.39606e+01    5.29735e-06


DD  step 237144999 load imb.: force 16.6%  pme mesh/force 0.759
           Step           Time
      237145000   474290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32267e+03    1.92523e+04    1.32621e+04    1.22863e+03   -3.11280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82594e+03    9.21844e+04    4.00080e+05   -2.34044e+04   -2.97528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68518e+04   -2.44579e+06    4.80434e+05   -1.96536e+06    2.52700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11474e+02   -2.07609e+02   -4.70613e+01    5.30500e-06


DD  step 237149999 load imb.: force 18.6%  pme mesh/force 0.730
           Step           Time
      237150000   474300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18938e+03    1.95013e+04    1.30262e+04    1.25924e+03   -3.09168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84108e+03    9.28059e+04    4.01200e+05   -2.33695e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66045e+04   -2.44558e+06    4.81570e+05   -1.96401e+06    2.52706e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12210e+02   -2.06990e+02   -8.60992e-01    5.41554e-06


DD  step 237154999 load imb.: force 18.9%  pme mesh/force 0.726
           Step           Time
      237155000   474310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94109e+03    1.90518e+04    1.31037e+04    1.17795e+03   -3.07409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92249e+03    9.25356e+04    3.99572e+05   -2.33315e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65784e+04   -2.44619e+06    4.78788e+05   -1.96740e+06    2.52712e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10407e+02   -2.06319e+02   -3.04812e+01    5.27982e-06


DD  step 237159999 load imb.: force 18.6%  pme mesh/force 0.756
           Step           Time
      237160000   474320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00903e+03    1.94033e+04    1.32024e+04    1.19601e+03   -3.11879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75741e+03    9.27720e+04    3.99583e+05   -2.33912e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65555e+04   -2.44686e+06    4.79802e+05   -1.96706e+06    2.52718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11064e+02   -2.07376e+02   -4.42463e+01    5.31417e-06


DD  step 237164999 load imb.: force 17.3%  pme mesh/force 0.740
           Step           Time
      237165000   474330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17008e+03    1.92051e+04    1.30911e+04    1.15803e+03   -3.06012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75936e+03    9.26387e+04    4.01070e+05   -2.33740e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65463e+04   -2.44766e+06    4.80132e+05   -1.96753e+06    2.52723e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11278e+02   -2.07071e+02   -6.35297e+00    5.34544e-06


DD  step 237169999 load imb.: force 18.8%  pme mesh/force 0.779
           Step           Time
      237170000   474340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05758e+03    1.91090e+04    1.31556e+04    1.18642e+03   -3.10817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77582e+03    9.23164e+04    4.01890e+05   -2.34074e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64252e+04   -2.44956e+06    4.79892e+05   -1.96967e+06    2.52729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11123e+02   -2.07662e+02    3.30148e+01    5.34814e-06


DD  step 237174999 load imb.: force 17.5%  pme mesh/force 0.741
           Step           Time
      237175000   474350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81975e+03    1.95455e+04    1.29456e+04    1.13850e+03   -3.12971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82675e+03    9.21184e+04    4.01803e+05   -2.34105e+04   -2.97885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63341e+04   -2.44886e+06    4.79996e+05   -1.96887e+06    2.52735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11190e+02   -2.07717e+02    5.63465e+01    5.43280e-06


DD  step 237179999 load imb.: force 16.6%  pme mesh/force 0.741
           Step           Time
      237180000   474360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11544e+03    1.94387e+04    1.31830e+04    1.17891e+03   -3.04188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85815e+03    9.24211e+04    4.01082e+05   -2.33801e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64604e+04   -2.44780e+06    4.78577e+05   -1.96923e+06    2.52740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10270e+02   -2.07178e+02   -1.95683e+01    5.42236e-06


DD  step 237184999 load imb.: force 18.4%  pme mesh/force 0.718
           Step           Time
      237185000   474370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82130e+03    1.95784e+04    1.31284e+04    1.10961e+03   -3.09260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99338e+03    9.30816e+04    3.99581e+05   -2.33986e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64608e+04   -2.44434e+06    4.79122e+05   -1.96522e+06    2.52746e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10623e+02   -2.07507e+02    4.41566e+01    5.35538e-06


DD  step 237189999 load imb.: force 19.0%  pme mesh/force 0.757
           Step           Time
      237190000   474380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99064e+03    1.91668e+04    1.31532e+04    1.20948e+03   -3.13864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79765e+03    9.29406e+04    4.01268e+05   -2.33880e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64259e+04   -2.44835e+06    4.80774e+05   -1.96757e+06    2.52752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11694e+02   -2.07318e+02   -2.71158e+01    5.60622e-06


DD  step 237194999 load imb.: force 19.8%  pme mesh/force 0.751
           Step           Time
      237195000   474390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04130e+03    1.97419e+04    1.30954e+04    1.18573e+03   -3.18676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71442e+03    9.26211e+04    4.00062e+05   -2.33694e+04   -2.97615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65038e+04   -2.44675e+06    4.80637e+05   -1.96611e+06    2.52758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11606e+02   -2.06988e+02   -5.72829e+01    5.44073e-06


DD  step 237199999 load imb.: force 16.5%  pme mesh/force 0.734
           Step           Time
      237200000   474400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02800e+03    1.95110e+04    1.30211e+04    1.20998e+03   -3.17611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78445e+03    9.25248e+04    4.01629e+05   -2.33856e+04   -2.97526e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67030e+04   -2.44441e+06    4.80727e+05   -1.96368e+06    2.52764e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11664e+02   -2.07277e+02    6.95053e+01    5.34976e-06


DD  step 237204999 load imb.: force 18.0%  pme mesh/force 0.747
           Step           Time
      237205000   474410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21504e+03    1.99878e+04    1.34376e+04    1.13600e+03   -3.10852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72199e+03    9.24152e+04    4.00772e+05   -2.33374e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63942e+04   -2.44359e+06    4.81953e+05   -1.96164e+06    2.52769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12459e+02   -2.06424e+02   -7.73343e+00    5.49361e-06


DD  step 237209999 load imb.: force 20.1%  pme mesh/force 0.753
           Step           Time
      237210000   474420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99230e+03    1.93961e+04    1.30220e+04    1.22243e+03   -3.13073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94343e+03    9.20892e+04    3.98345e+05   -2.33821e+04   -2.97464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63326e+04   -2.44781e+06    4.79359e+05   -1.96845e+06    2.52775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.07214e+02   -3.54258e+01    5.52209e-06


DD  step 237214999 load imb.: force 17.0%  pme mesh/force 0.764
           Step           Time
      237215000   474430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00178e+03    1.94378e+04    1.29694e+04    1.14817e+03   -2.98317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73843e+03    9.30741e+04    4.00077e+05   -2.34138e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64467e+04   -2.44679e+06    4.77816e+05   -1.96897e+06    2.52781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09777e+02   -2.07775e+02   -3.30773e+01    5.36324e-06


DD  step 237219999 load imb.: force 16.6%  pme mesh/force 0.710
           Step           Time
      237220000   474440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66878e+03    1.94899e+04    1.31600e+04    1.26522e+03   -3.10695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95080e+03    9.27436e+04    4.00657e+05   -2.33934e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64803e+04   -2.44729e+06    4.79649e+05   -1.96765e+06    2.52786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10965e+02   -2.07414e+02    4.97829e+01    5.51686e-06


DD  step 237224999 load imb.: force 20.5%  pme mesh/force 0.764
           Step           Time
      237225000   474450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75761e+03    1.97505e+04    1.31780e+04    1.15673e+03   -3.15638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89764e+03    9.26407e+04    3.99919e+05   -2.33981e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65440e+04   -2.44657e+06    4.79353e+05   -1.96722e+06    2.52792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.07498e+02    3.47385e+01    5.49005e-06


DD  step 237229999 load imb.: force 16.3%  pme mesh/force 0.743
           Step           Time
      237230000   474460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96927e+03    1.88485e+04    1.30991e+04    1.19949e+03   -3.02494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86069e+03    9.27769e+04    4.00249e+05   -2.33790e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65002e+04   -2.44848e+06    4.79646e+05   -1.96883e+06    2.52798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10963e+02   -2.07160e+02    1.02502e+00    5.45960e-06


DD  step 237234999 load imb.: force 18.1%  pme mesh/force 0.780
           Step           Time
      237235000   474470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08151e+03    1.93089e+04    1.32032e+04    1.20727e+03   -3.07558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87283e+03    9.28452e+04    4.00665e+05   -2.33739e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65874e+04   -2.44552e+06    4.83554e+05   -1.96197e+06    2.52803e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13497e+02   -2.07069e+02    6.85982e+01    5.42191e-06


DD  step 237239999 load imb.: force 17.5%  pme mesh/force 0.738
           Step           Time
      237240000   474480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04584e+03    1.93725e+04    1.33238e+04    1.05730e+03   -3.24039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76526e+03    9.26094e+04    4.01917e+05   -2.34005e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64830e+04   -2.44793e+06    4.80570e+05   -1.96736e+06    2.52809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11562e+02   -2.07540e+02    1.46337e+01    5.57620e-06


DD  step 237244999 load imb.: force 16.9%  pme mesh/force 0.729
           Step           Time
      237245000   474490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13301e+03    1.95884e+04    1.30846e+04    1.30346e+03   -3.20373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73444e+03    9.26532e+04    4.01882e+05   -2.33920e+04   -2.97978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63865e+04   -2.44861e+06    4.81566e+05   -1.96705e+06    2.52815e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12208e+02   -2.07390e+02   -2.52706e+01    5.48070e-06


DD  step 237249999 load imb.: force 20.5%  pme mesh/force 0.759
           Step           Time
      237250000   474500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88143e+03    1.94661e+04    1.29480e+04    1.21857e+03   -2.98261e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84878e+03    9.24754e+04    4.01722e+05   -2.34035e+04   -2.98049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65543e+04   -2.44976e+06    4.79563e+05   -1.97020e+06    2.52821e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.07592e+02    1.97945e+01    5.50793e-06


DD  step 237254999 load imb.: force 22.1%  pme mesh/force 0.758
           Step           Time
      237255000   474510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06393e+03    1.98312e+04    1.30885e+04    1.13628e+03   -3.16303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85108e+03    9.27441e+04    4.00146e+05   -2.33681e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65626e+04   -2.44595e+06    4.81985e+05   -1.96396e+06    2.52827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12479e+02   -2.06967e+02    9.39560e+00    5.41209e-06


DD  step 237259999 load imb.: force 19.2%  pme mesh/force 0.737
           Step           Time
      237260000   474520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08098e+03    1.96847e+04    1.31623e+04    1.23553e+03   -3.15601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81833e+03    9.27189e+04    3.97176e+05   -2.33569e+04   -2.97189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64270e+04   -2.44510e+06    4.80976e+05   -1.96413e+06    2.52832e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11826e+02   -2.06768e+02   -6.87590e+01    5.41811e-06


DD  step 237264999 load imb.: force 17.2%  pme mesh/force 0.708
           Step           Time
      237265000   474530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86205e+03    1.91593e+04    1.31776e+04    1.13217e+03   -3.03443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90994e+03    9.28335e+04    3.99627e+05   -2.33808e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65421e+04   -2.44851e+06    4.79916e+05   -1.96859e+06    2.52838e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.07191e+02   -4.83918e+01    5.52687e-06


DD  step 237269999 load imb.: force 17.5%  pme mesh/force 0.763
           Step           Time
      237270000   474540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79704e+03    1.95057e+04    1.31552e+04    1.16022e+03   -3.10628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79197e+03    9.31462e+04    4.02774e+05   -2.33861e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66273e+04   -2.44715e+06    4.79660e+05   -1.96749e+06    2.52844e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10972e+02   -2.07284e+02    5.11379e+01    5.37923e-06


DD  step 237274999 load imb.: force 19.3%  pme mesh/force 0.732
           Step           Time
      237275000   474550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09707e+03    1.96107e+04    1.30100e+04    1.08163e+03   -3.14479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85890e+03    9.26153e+04    4.01389e+05   -2.33541e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66701e+04   -2.44486e+06    4.80823e+05   -1.96404e+06    2.52850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11726e+02   -2.06718e+02    9.17426e+00    5.26910e-06


DD  step 237279999 load imb.: force 21.0%  pme mesh/force 0.755
           Step           Time
      237280000   474560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77636e+03    1.92867e+04    1.30992e+04    1.16397e+03   -3.06271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81810e+03    9.26879e+04    4.03713e+05   -2.34107e+04   -2.98195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64692e+04   -2.44941e+06    4.80286e+05   -1.96912e+06    2.52855e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.07721e+02    1.19951e+02    5.41492e-06


DD  step 237284999 load imb.: force 17.0%  pme mesh/force 0.767
           Step           Time
      237285000   474570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02419e+03    1.89929e+04    1.29720e+04    1.19556e+03   -3.05989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78878e+03    9.29659e+04    3.98304e+05   -2.33972e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63820e+04   -2.45049e+06    4.79319e+05   -1.97117e+06    2.52861e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.07481e+02   -1.30555e+02    5.39345e-06


DD  step 237289999 load imb.: force 18.5%  pme mesh/force 0.784
           Step           Time
      237290000   474580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85515e+03    1.96073e+04    1.29939e+04    1.25912e+03   -3.07902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83558e+03    9.31526e+04    4.00216e+05   -2.33843e+04   -2.97921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64202e+04   -2.44933e+06    4.80632e+05   -1.96870e+06    2.52867e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11602e+02   -2.07252e+02   -4.40735e+01    5.55981e-06


DD  step 237294999 load imb.: force 19.5%  pme mesh/force 0.741
           Step           Time
      237295000   474590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05969e+03    1.93526e+04    1.31831e+04    1.09818e+03   -3.20317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84036e+03    9.27087e+04    3.98380e+05   -2.33709e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65008e+04   -2.44702e+06    4.78885e+05   -1.96813e+06    2.52872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10470e+02   -2.07016e+02   -6.80601e+01    5.53886e-06


DD  step 237299999 load imb.: force 17.2%  pme mesh/force 0.753
           Step           Time
      237300000   474600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10904e+03    1.90562e+04    1.31273e+04    1.02781e+03   -3.07487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88456e+03    9.34857e+04    4.00663e+05   -2.33640e+04   -2.97860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64121e+04   -2.44828e+06    4.81052e+05   -1.96722e+06    2.52878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11874e+02   -2.06894e+02   -1.66234e+01    5.50524e-06


DD  step 237304999 load imb.: force 18.9%  pme mesh/force 0.761
           Step           Time
      237305000   474610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89751e+03    1.97369e+04    1.30075e+04    1.13897e+03   -3.18961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85606e+03    9.24488e+04    3.98977e+05   -2.33398e+04   -2.97352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64077e+04   -2.44558e+06    4.77897e+05   -1.96768e+06    2.52884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09829e+02   -2.06466e+02   -3.59375e+01    5.52934e-06


DD  step 237309999 load imb.: force 19.9%  pme mesh/force 0.758
           Step           Time
      237310000   474620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77707e+03    1.94196e+04    1.31287e+04    1.13992e+03   -3.15135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83090e+03    9.29144e+04    4.03176e+05   -2.34252e+04   -2.98078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65793e+04   -2.44839e+06    4.79370e+05   -1.96902e+06    2.52889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10784e+02   -2.07978e+02    7.99205e+01    5.42900e-06


DD  step 237314999 load imb.: force 17.8%  pme mesh/force 0.750
           Step           Time
      237315000   474630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77846e+03    1.98948e+04    1.30844e+04    1.17049e+03   -3.08930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79471e+03    9.20889e+04    4.00550e+05   -2.34064e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65167e+04   -2.44855e+06    4.79481e+05   -1.96907e+06    2.52895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10856e+02   -2.07645e+02   -2.38138e+01    5.49655e-06


DD  step 237319999 load imb.: force 16.9%  pme mesh/force 0.777
           Step           Time
      237320000   474640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07849e+03    1.95534e+04    1.29595e+04    1.26569e+03   -3.15438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78062e+03    9.28302e+04    4.01889e+05   -2.34200e+04   -2.97897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63797e+04   -2.44781e+06    4.79133e+05   -1.96868e+06    2.52900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.07885e+02    4.52139e+01    5.50358e-06


DD  step 237324999 load imb.: force 16.7%  pme mesh/force 0.724
           Step           Time
      237325000   474650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18173e+03    1.94945e+04    1.30666e+04    1.20325e+03   -3.17749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01582e+03    9.29777e+04    4.01453e+05   -2.33900e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63649e+04   -2.44653e+06    4.80390e+05   -1.96614e+06    2.52906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11445e+02   -2.07355e+02    4.85639e+01    5.54801e-06


DD  step 237329999 load imb.: force 16.1%  pme mesh/force 0.716
           Step           Time
      237330000   474660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90722e+03    1.92034e+04    1.30449e+04    1.22501e+03   -3.13677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80507e+03    9.28265e+04    4.02756e+05   -2.34062e+04   -2.98129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63385e+04   -2.44973e+06    4.80899e+05   -1.96883e+06    2.52911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.07642e+02    2.55164e+01    5.51893e-06


DD  step 237334999 load imb.: force 18.9%  pme mesh/force 0.749
           Step           Time
      237335000   474670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77797e+03    1.98215e+04    1.30025e+04    1.14812e+03   -3.05400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84117e+03    9.23584e+04    4.02860e+05   -2.34087e+04   -2.98025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66003e+04   -2.44831e+06    4.81140e+05   -1.96717e+06    2.52917e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11932e+02   -2.07685e+02    1.33963e+02    5.59728e-06


DD  step 237339999 load imb.: force 16.5%  pme mesh/force 0.726
           Step           Time
      237340000   474680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90855e+03    1.92423e+04    1.31166e+04    1.24782e+03   -3.03322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88756e+03    9.21604e+04    4.01578e+05   -2.33783e+04   -2.98220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65265e+04   -2.45194e+06    4.76708e+05   -1.97523e+06    2.52923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09059e+02   -2.07146e+02   -2.29752e+01    5.41910e-06


DD  step 237344999 load imb.: force 17.9%  pme mesh/force 0.773
           Step           Time
      237345000   474690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15006e+03    1.93062e+04    1.31136e+04    1.17182e+03   -3.00090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94431e+03    9.24839e+04    4.00159e+05   -2.33437e+04   -2.97461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65346e+04   -2.44509e+06    4.79622e+05   -1.96546e+06    2.52929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10948e+02   -2.06535e+02    2.57162e+01    5.36610e-06


DD  step 237349999 load imb.: force 17.3%  pme mesh/force 0.788
           Step           Time
      237350000   474700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01723e+03    1.91387e+04    1.30956e+04    1.15703e+03   -3.04773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84388e+03    9.24015e+04    4.01596e+05   -2.33826e+04   -2.97988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66595e+04   -2.44940e+06    4.79546e+05   -1.96985e+06    2.52934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10899e+02   -2.07222e+02    6.46938e+01    5.39569e-06


DD  step 237354999 load imb.: force 18.6%  pme mesh/force 0.757
           Step           Time
      237355000   474710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19537e+03    1.96707e+04    1.31503e+04    1.18752e+03   -3.01592e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79321e+03    9.21835e+04    3.99668e+05   -2.33663e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63839e+04   -2.44801e+06    4.79452e+05   -1.96856e+06    2.52941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.06935e+02   -7.37199e+01    5.58435e-06


DD  step 237359999 load imb.: force 16.0%  pme mesh/force 0.721
           Step           Time
      237360000   474720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13722e+03    1.96795e+04    1.31027e+04    1.27997e+03   -3.00990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98173e+03    9.22460e+04    4.01562e+05   -2.34391e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64904e+04   -2.44712e+06    4.81423e+05   -1.96569e+06    2.52946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12115e+02   -2.08224e+02    8.32701e+01    5.38710e-06


DD  step 237364999 load imb.: force 15.8%  pme mesh/force 0.742
           Step           Time
      237365000   474730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82611e+03    1.93760e+04    1.29974e+04    1.17435e+03   -3.18226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90803e+03    9.27892e+04    4.00370e+05   -2.34004e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64689e+04   -2.44979e+06    4.77701e+05   -1.97209e+06    2.52952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09702e+02   -2.07539e+02    2.85456e+01    5.49667e-06


DD  step 237369999 load imb.: force 16.4%  pme mesh/force 0.723
           Step           Time
      237370000   474740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93093e+03    1.95246e+04    1.31209e+04    1.19362e+03   -3.11939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91718e+03    9.24374e+04    4.04252e+05   -2.33521e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65325e+04   -2.44637e+06    4.80236e+05   -1.96613e+06    2.52957e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11345e+02   -2.06683e+02    9.45833e+01    5.44026e-06


DD  step 237374999 load imb.: force 19.4%  pme mesh/force 0.784
           Step           Time
      237375000   474750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74653e+03    1.95063e+04    1.28251e+04    1.17012e+03   -3.12684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87039e+03    9.30288e+04    4.00708e+05   -2.33916e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62543e+04   -2.44959e+06    4.78816e+05   -1.97077e+06    2.52963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.07382e+02    1.90410e+01    5.20446e-06


DD  step 237379999 load imb.: force 17.9%  pme mesh/force 0.720
           Step           Time
      237380000   474760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99955e+03    1.94791e+04    1.29851e+04    1.23031e+03   -3.13118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93263e+03    9.23540e+04    4.01916e+05   -2.34120e+04   -2.97937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65632e+04   -2.44845e+06    4.80462e+05   -1.96799e+06    2.52969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11492e+02   -2.07743e+02    4.76821e+01    5.31298e-06


DD  step 237384999 load imb.: force 19.3%  pme mesh/force 0.746
           Step           Time
      237385000   474770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97004e+03    1.98435e+04    1.31496e+04    1.17135e+03   -3.08420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79444e+03    9.24020e+04    3.98707e+05   -2.33796e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66333e+04   -2.44673e+06    4.80126e+05   -1.96660e+06    2.52975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07170e+02   -2.45861e+01    5.46492e-06


DD  step 237389999 load imb.: force 17.7%  pme mesh/force 0.731
           Step           Time
      237390000   474780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95026e+03    1.95578e+04    1.29438e+04    1.15722e+03   -3.08927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78649e+03    9.30158e+04    3.99057e+05   -2.33799e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63831e+04   -2.44887e+06    4.81054e+05   -1.96781e+06    2.52980e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11876e+02   -2.07176e+02   -8.18491e+01    5.48373e-06


DD  step 237394999 load imb.: force 19.7%  pme mesh/force 0.773
           Step           Time
      237395000   474790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17865e+03    1.98118e+04    1.30952e+04    1.20910e+03   -3.03584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73094e+03    9.25812e+04    3.98874e+05   -2.33637e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62168e+04   -2.44719e+06    4.79606e+05   -1.96758e+06    2.52986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10937e+02   -2.06888e+02   -2.36709e+01    5.36781e-06


DD  step 237399999 load imb.: force 18.9%  pme mesh/force 0.728
           Step           Time
      237400000   474800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04330e+03    1.95589e+04    1.32206e+04    1.26613e+03   -3.16517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89555e+03    9.29878e+04    3.97921e+05   -2.33651e+04   -2.97508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64240e+04   -2.44729e+06    4.80461e+05   -1.96683e+06    2.52992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11491e+02   -2.06914e+02   -6.77063e+01    5.45900e-06


DD  step 237404999 load imb.: force 18.2%  pme mesh/force 0.762
           Step           Time
      237405000   474810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08179e+03    1.95354e+04    1.30997e+04    1.17131e+03   -3.08256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90661e+03    9.26101e+04    4.04333e+05   -2.34307e+04   -2.98183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66306e+04   -2.44798e+06    4.80255e+05   -1.96772e+06    2.52998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11358e+02   -2.08075e+02    1.57077e+02    5.33815e-06


DD  step 237409999 load imb.: force 17.5%  pme mesh/force 0.763
           Step           Time
      237410000   474820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25226e+03    1.89669e+04    1.30703e+04    1.08746e+03   -3.07952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82691e+03    9.27453e+04    4.01321e+05   -2.33803e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65766e+04   -2.44834e+06    4.80026e+05   -1.96832e+06    2.53003e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11210e+02   -2.07182e+02    2.02281e+01    5.25186e-06


DD  step 237414999 load imb.: force 18.2%  pme mesh/force 0.796
           Step           Time
      237415000   474830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93522e+03    1.93494e+04    1.28495e+04    1.18331e+03   -3.21152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83794e+03    9.26958e+04    4.01427e+05   -2.34106e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64084e+04   -2.44943e+06    4.78578e+05   -1.97085e+06    2.53009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10271e+02   -2.07720e+02    4.20644e+01    5.39800e-06


DD  step 237419999 load imb.: force 17.1%  pme mesh/force 0.755
           Step           Time
      237420000   474840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22398e+03    1.93380e+04    1.30978e+04    1.15082e+03   -3.10888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85970e+03    9.31538e+04    4.04644e+05   -2.34167e+04   -2.98412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65698e+04   -2.44961e+06    4.80894e+05   -1.96872e+06    2.53015e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11772e+02   -2.07827e+02    1.19783e+02    5.38669e-06


DD  step 237424999 load imb.: force 18.2%  pme mesh/force 0.701
           Step           Time
      237425000   474850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18529e+03    1.95040e+04    1.30928e+04    1.15076e+03   -3.14068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89867e+03    9.25961e+04    4.00326e+05   -2.34348e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63719e+04   -2.44537e+06    4.79583e+05   -1.96578e+06    2.53021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10922e+02   -2.08147e+02    5.65945e+01    5.33582e-06


DD  step 237429999 load imb.: force 17.0%  pme mesh/force 0.765
           Step           Time
      237430000   474860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80870e+03    1.99434e+04    1.29907e+04    1.17125e+03   -2.96602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76422e+03    9.27288e+04    3.98946e+05   -2.33711e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64778e+04   -2.44592e+06    4.78857e+05   -1.96707e+06    2.53027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10452e+02   -2.07019e+02   -3.93811e+01    5.32139e-06

Writing checkpoint, step 237431300 at Wed Nov  8 08:31:28 2023



DD  step 237434999 load imb.: force 15.8%  pme mesh/force 0.721
           Step           Time
      237435000   474870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89886e+03    1.92245e+04    1.28735e+04    1.20813e+03   -2.99233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87265e+03    9.29912e+04    3.99366e+05   -2.33697e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66131e+04   -2.44872e+06    4.79764e+05   -1.96896e+06    2.53032e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.06995e+02   -4.18586e+01    5.29355e-06


DD  step 237439999 load imb.: force 18.8%  pme mesh/force 0.747
           Step           Time
      237440000   474880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98969e+03    1.93424e+04    1.28805e+04    1.17088e+03   -3.06541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87889e+03    9.25586e+04    3.95645e+05   -2.33632e+04   -2.96967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64551e+04   -2.44517e+06    4.81002e+05   -1.96417e+06    2.53037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11842e+02   -2.06880e+02   -9.33776e+01    5.45267e-06


DD  step 237444999 load imb.: force 16.9%  pme mesh/force 0.740
           Step           Time
      237445000   474890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94757e+03    1.94962e+04    1.29812e+04    1.10723e+03   -2.96448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97105e+03    9.26099e+04    3.99702e+05   -2.34466e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66395e+04   -2.44734e+06    4.80078e+05   -1.96727e+06    2.53043e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11243e+02   -2.08357e+02    2.64669e+01    5.27353e-06


DD  step 237449999 load imb.: force 18.3%  pme mesh/force 0.733
           Step           Time
      237450000   474900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95035e+03    1.92734e+04    1.31643e+04    1.22075e+03   -3.01120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86893e+03    9.29718e+04    4.01990e+05   -2.33722e+04   -2.97994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61742e+04   -2.44871e+06    4.79393e+05   -1.96932e+06    2.53050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10799e+02   -2.07038e+02    3.11926e+01    5.43813e-06


DD  step 237454999 load imb.: force 17.5%  pme mesh/force 0.717
           Step           Time
      237455000   474910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25565e+03    1.94488e+04    1.30561e+04    1.26363e+03   -3.05841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82714e+03    9.23817e+04    3.99686e+05   -2.33350e+04   -2.97433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66811e+04   -2.44512e+06    4.80095e+05   -1.96502e+06    2.53055e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.06381e+02   -2.97369e+01    5.42777e-06


DD  step 237459999 load imb.: force 16.6%  pme mesh/force 0.739
           Step           Time
      237460000   474920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87824e+03    1.93144e+04    1.34514e+04    1.24158e+03   -3.14694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80019e+03    9.31324e+04    3.99238e+05   -2.33582e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66657e+04   -2.44632e+06    4.81356e+05   -1.96497e+06    2.53061e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12072e+02   -2.06791e+02   -3.55109e+01    5.31494e-06


DD  step 237464999 load imb.: force 16.8%  pme mesh/force 0.760
           Step           Time
      237465000   474930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17494e+03    1.92102e+04    1.30786e+04    1.21825e+03   -3.05027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81331e+03    9.26238e+04    3.99717e+05   -2.33545e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66459e+04   -2.44639e+06    4.80734e+05   -1.96566e+06    2.53067e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11669e+02   -2.06726e+02   -5.46171e+01    5.50784e-06


DD  step 237469999 load imb.: force 17.0%  pme mesh/force 0.751
           Step           Time
      237470000   474940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09058e+03    1.93510e+04    1.30574e+04    1.17928e+03   -3.06216e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89945e+03    9.29290e+04    4.01893e+05   -2.34375e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63867e+04   -2.44796e+06    4.78371e+05   -1.96958e+06    2.53073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10136e+02   -2.08197e+02    1.14218e+02    5.13564e-06


DD  step 237474999 load imb.: force 16.8%  pme mesh/force 0.760
           Step           Time
      237475000   474950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10712e+03    1.94156e+04    1.32563e+04    1.12594e+03   -3.05664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84503e+03    9.31646e+04    3.97798e+05   -2.33341e+04   -2.97335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66684e+04   -2.44536e+06    4.78619e+05   -1.96674e+06    2.53079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10297e+02   -2.06366e+02   -8.92560e+01    5.14712e-06


DD  step 237479999 load imb.: force 15.5%  pme mesh/force 0.719
           Step           Time
      237480000   474960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97810e+03    1.97157e+04    1.29830e+04    1.18829e+03   -3.04770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91098e+03    9.29002e+04    3.99497e+05   -2.33719e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64677e+04   -2.44659e+06    4.82511e+05   -1.96408e+06    2.53084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12820e+02   -2.07034e+02    1.30695e+01    5.48415e-06


DD  step 237484999 load imb.: force 16.9%  pme mesh/force 0.736
           Step           Time
      237485000   474970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95355e+03    1.95378e+04    1.28870e+04    1.16855e+03   -3.04268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92828e+03    9.24222e+04    4.03050e+05   -2.34133e+04   -2.98075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65952e+04   -2.44867e+06    4.79090e+05   -1.96958e+06    2.53090e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10603e+02   -2.07767e+02    7.80405e+01    5.32511e-06


DD  step 237489999 load imb.: force 15.5%  pme mesh/force 0.715
           Step           Time
      237490000   474980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83798e+03    1.94431e+04    1.33418e+04    1.19601e+03   -3.11375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80633e+03    9.30749e+04    4.02242e+05   -2.33665e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63920e+04   -2.44669e+06    4.80823e+05   -1.96587e+06    2.53095e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11726e+02   -2.06938e+02    2.09253e+01    5.18907e-06


DD  step 237494999 load imb.: force 17.1%  pme mesh/force 0.746
           Step           Time
      237495000   474990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02108e+03    1.95251e+04    1.30880e+04    1.24071e+03   -3.13986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80626e+03    9.28165e+04    4.02997e+05   -2.34403e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65727e+04   -2.44923e+06    4.79512e+05   -1.96971e+06    2.53101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.08246e+02    7.73740e+01    5.27877e-06


DD  step 237499999 load imb.: force 18.6%  pme mesh/force 0.745
           Step           Time
      237500000   475000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15889e+03    1.97738e+04    1.30041e+04    1.17074e+03   -3.15673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73239e+03    9.26901e+04    3.98449e+05   -2.33856e+04   -2.97260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62895e+04   -2.44487e+06    4.80147e+05   -1.96472e+06    2.53107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11288e+02   -2.07276e+02   -4.06026e+01    5.41155e-06


DD  step 237504999 load imb.: force 17.7%  pme mesh/force 0.758
           Step           Time
      237505000   475010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03379e+03    1.93007e+04    1.30464e+04    1.17707e+03   -3.06976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80437e+03    9.28228e+04    3.96832e+05   -2.33540e+04   -2.97174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64399e+04   -2.44571e+06    4.80439e+05   -1.96527e+06    2.53112e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.06717e+02   -9.32325e+01    5.44810e-06


DD  step 237509999 load imb.: force 19.9%  pme mesh/force 0.774
           Step           Time
      237510000   475020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15179e+03    1.96491e+04    1.30811e+04    1.16957e+03   -2.93903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81868e+03    9.29398e+04    3.96622e+05   -2.33146e+04   -2.97312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64462e+04   -2.44649e+06    4.80434e+05   -1.96606e+06    2.53118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11474e+02   -2.06020e+02   -1.33066e+02    5.28739e-06


DD  step 237514999 load imb.: force 18.0%  pme mesh/force 0.734
           Step           Time
      237515000   475030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13056e+03    1.97739e+04    1.32001e+04    1.22181e+03   -3.14604e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76508e+03    9.26480e+04    4.01774e+05   -2.34104e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65886e+04   -2.44625e+06    4.80535e+05   -1.96571e+06    2.53124e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11539e+02   -2.07716e+02    5.66952e+01    5.25556e-06


DD  step 237519999 load imb.: force 17.4%  pme mesh/force 0.768
           Step           Time
      237520000   475040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14927e+03    1.94555e+04    1.29726e+04    1.18298e+03   -3.11937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85324e+03    9.27212e+04    4.00630e+05   -2.34017e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65934e+04   -2.44607e+06    4.78533e+05   -1.96754e+06    2.53130e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10241e+02   -2.07562e+02    3.23553e+01    5.37263e-06


DD  step 237524999 load imb.: force 16.6%  pme mesh/force 0.735
           Step           Time
      237525000   475050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18319e+03    1.96780e+04    1.29392e+04    1.12812e+03   -3.15611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77315e+03    9.25084e+04    4.03192e+05   -2.34191e+04   -2.98140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65557e+04   -2.44902e+06    4.81500e+05   -1.96752e+06    2.53135e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12165e+02   -2.07869e+02    8.16366e+01    5.41319e-06


DD  step 237529999 load imb.: force 17.4%  pme mesh/force 0.749
           Step           Time
      237530000   475060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07488e+03    1.93295e+04    1.29828e+04    1.08023e+03   -3.09719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89469e+03    9.28412e+04    4.00655e+05   -2.33900e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64560e+04   -2.44701e+06    4.80695e+05   -1.96631e+06    2.53141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11643e+02   -2.07353e+02    3.49119e+01    5.36657e-06


DD  step 237534999 load imb.: force 17.1%  pme mesh/force 0.740
           Step           Time
      237535000   475070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05779e+03    1.95667e+04    1.29597e+04    1.18295e+03   -3.14220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93869e+03    9.27260e+04    4.00698e+05   -2.34113e+04   -2.97995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66046e+04   -2.44977e+06    4.80776e+05   -1.96900e+06    2.53147e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11696e+02   -2.07730e+02    1.57326e+01    5.33667e-06


DD  step 237539999 load imb.: force 17.9%  pme mesh/force 0.707
           Step           Time
      237540000   475080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03118e+03    1.94307e+04    1.32508e+04    1.17477e+03   -3.07530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87789e+03    9.30544e+04    4.02208e+05   -2.33847e+04   -2.97879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63682e+04   -2.44686e+06    4.79730e+05   -1.96713e+06    2.53153e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.07260e+02    6.19558e+01    5.24191e-06


DD  step 237544999 load imb.: force 17.1%  pme mesh/force 0.743
           Step           Time
      237545000   475090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06779e+03    1.88149e+04    1.30999e+04    1.23291e+03   -3.08478e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95698e+03    9.28797e+04    4.01909e+05   -2.34151e+04   -2.98084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64596e+04   -2.44992e+06    4.78931e+05   -1.97099e+06    2.53159e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.07799e+02    2.68855e+01    5.22804e-06


DD  step 237549999 load imb.: force 19.4%  pme mesh/force 0.738
           Step           Time
      237550000   475100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04251e+03    1.92816e+04    1.30551e+04    1.12084e+03   -3.10999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91681e+03    9.24474e+04    4.00239e+05   -2.33917e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63495e+04   -2.44918e+06    4.79439e+05   -1.96974e+06    2.53164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10829e+02   -2.07385e+02   -3.18182e+01    5.35761e-06


DD  step 237554999 load imb.: force 15.0%  pme mesh/force 0.700
           Step           Time
      237555000   475110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12478e+03    1.95197e+04    1.30445e+04    1.18545e+03   -3.13492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77291e+03    9.23569e+04    4.02015e+05   -2.33884e+04   -2.98148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65219e+04   -2.45046e+06    4.78526e+05   -1.97194e+06    2.53171e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.07326e+02   -3.00877e+01    5.40360e-06


DD  step 237559999 load imb.: force 15.9%  pme mesh/force 0.720
           Step           Time
      237560000   475120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15587e+03    1.94467e+04    1.31663e+04    1.16420e+03   -3.12818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88720e+03    9.24767e+04    4.02095e+05   -2.34630e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64859e+04   -2.44723e+06    4.81345e+05   -1.96589e+06    2.53176e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.08649e+02    6.39304e+01    5.18789e-06


DD  step 237564999 load imb.: force 14.9%  pme mesh/force 0.710
           Step           Time
      237565000   475130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07859e+03    1.97637e+04    1.31426e+04    1.13663e+03   -3.10672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77917e+03    9.23643e+04    4.02533e+05   -2.33939e+04   -2.97936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68408e+04   -2.44722e+06    4.81523e+05   -1.96570e+06    2.53182e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12180e+02   -2.07424e+02    5.06261e+01    5.31539e-06


DD  step 237569999 load imb.: force 18.2%  pme mesh/force 0.739
           Step           Time
      237570000   475140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25224e+03    1.96614e+04    1.29878e+04    1.20655e+03   -3.10271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84146e+03    9.25911e+04    4.00962e+05   -2.33770e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67098e+04   -2.44540e+06    4.79814e+05   -1.96559e+06    2.53188e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11072e+02   -2.07123e+02   -1.22226e+01    5.42429e-06


DD  step 237574999 load imb.: force 16.1%  pme mesh/force 0.699
           Step           Time
      237575000   475150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08084e+03    1.94170e+04    1.30737e+04    1.21131e+03   -3.00784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83240e+03    9.25962e+04    3.99518e+05   -2.33993e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67192e+04   -2.44691e+06    4.81360e+05   -1.96555e+06    2.53194e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12074e+02   -2.07518e+02   -1.66306e+01    5.36450e-06


DD  step 237579999 load imb.: force 17.8%  pme mesh/force 0.742
           Step           Time
      237580000   475160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06664e+03    1.91236e+04    1.29967e+04    1.14582e+03   -3.16356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76002e+03    9.27590e+04    4.03222e+05   -2.33982e+04   -2.98039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65857e+04   -2.44829e+06    4.79548e+05   -1.96875e+06    2.53199e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10900e+02   -2.07499e+02    3.24761e+01    5.34739e-06


DD  step 237584999 load imb.: force 16.4%  pme mesh/force 0.736
           Step           Time
      237585000   475170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08714e+03    1.93346e+04    1.31663e+04    1.22118e+03   -3.00443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90367e+03    9.26380e+04    3.99653e+05   -2.34251e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66539e+04   -2.44801e+06    4.77990e+05   -1.97002e+06    2.53205e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09889e+02   -2.07976e+02   -3.23871e+00    5.21815e-06


DD  step 237589999 load imb.: force 18.7%  pme mesh/force 0.722
           Step           Time
      237590000   475180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10447e+03    2.00249e+04    1.30813e+04    1.15736e+03   -3.13372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83895e+03    9.25237e+04    4.01008e+05   -2.33653e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64802e+04   -2.44597e+06    4.81628e+05   -1.96434e+06    2.53211e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12248e+02   -2.06916e+02    5.12228e+00    5.34628e-06


DD  step 237594999 load imb.: force 17.6%  pme mesh/force 0.736
           Step           Time
      237595000   475190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84885e+03    1.89741e+04    1.30892e+04    1.14108e+03   -3.06203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82542e+03    9.26018e+04    3.97202e+05   -2.33649e+04   -2.97084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66553e+04   -2.44493e+06    4.79740e+05   -1.96519e+06    2.53216e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11024e+02   -2.06909e+02   -7.27517e+01    5.28848e-06


DD  step 237599999 load imb.: force 16.7%  pme mesh/force 0.720
           Step           Time
      237600000   475200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17998e+03    1.91758e+04    1.31179e+04    1.19530e+03   -3.08966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92408e+03    9.27161e+04    4.03431e+05   -2.33666e+04   -2.98126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64856e+04   -2.44849e+06    4.81461e+05   -1.96702e+06    2.53223e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12140e+02   -2.06939e+02    5.40401e+01    5.47340e-06


DD  step 237604999 load imb.: force 15.4%  pme mesh/force 0.720
           Step           Time
      237605000   475210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99866e+03    1.95862e+04    1.29072e+04    1.11848e+03   -3.12237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82466e+03    9.22403e+04    3.98731e+05   -2.33720e+04   -2.97449e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65055e+04   -2.44707e+06    4.78678e+05   -1.96839e+06    2.53228e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10335e+02   -2.07034e+02   -4.17005e+01    5.29641e-06


DD  step 237609999 load imb.: force 17.4%  pme mesh/force 0.733
           Step           Time
      237610000   475220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02482e+03    1.96750e+04    1.31493e+04    1.17314e+03   -3.00003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79690e+03    9.29476e+04    4.00769e+05   -2.33994e+04   -2.97881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64510e+04   -2.44822e+06    4.79706e+05   -1.96851e+06    2.53234e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11002e+02   -2.07521e+02    6.65434e+00    5.27863e-06


DD  step 237614999 load imb.: force 16.5%  pme mesh/force 0.765
           Step           Time
      237615000   475230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00114e+03    1.99748e+04    1.29570e+04    1.16976e+03   -3.20884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83772e+03    9.19990e+04    3.99446e+05   -2.34011e+04   -2.97469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64286e+04   -2.44648e+06    4.80666e+05   -1.96582e+06    2.53240e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11624e+02   -2.07550e+02    9.50388e+00    5.20217e-06


DD  step 237619999 load imb.: force 18.1%  pme mesh/force 0.713
           Step           Time
      237620000   475240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99207e+03    1.96211e+04    1.30884e+04    1.21246e+03   -3.14927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88571e+03    9.26862e+04    3.99118e+05   -2.33845e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66515e+04   -2.44741e+06    4.80128e+05   -1.96728e+06    2.53246e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07257e+02   -1.33581e+01    5.31039e-06


DD  step 237624999 load imb.: force 16.5%  pme mesh/force 0.731
           Step           Time
      237625000   475250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97310e+03    1.92585e+04    1.31129e+04    1.23366e+03   -3.11455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88083e+03    9.27104e+04    4.00074e+05   -2.33735e+04   -2.97361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64377e+04   -2.44442e+06    4.79873e+05   -1.96454e+06    2.53251e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11110e+02   -2.07062e+02    5.37262e+01    5.34550e-06


DD  step 237629999 load imb.: force 16.5%  pme mesh/force 0.705
           Step           Time
      237630000   475260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99302e+03    1.95818e+04    1.30419e+04    1.14614e+03   -3.07288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86865e+03    9.24666e+04    4.00842e+05   -2.33916e+04   -2.97737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64163e+04   -2.44748e+06    4.80531e+05   -1.96695e+06    2.53257e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11537e+02   -2.07382e+02    1.35264e+01    5.21615e-06


DD  step 237634999 load imb.: force 16.7%  pme mesh/force 0.737
           Step           Time
      237635000   475270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18859e+03    1.94176e+04    1.31805e+04    1.15991e+03   -3.16136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91094e+03    9.27063e+04    3.98447e+05   -2.33572e+04   -2.97343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65217e+04   -2.44542e+06    4.80764e+05   -1.96465e+06    2.53262e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11688e+02   -2.06774e+02   -7.26082e+01    5.35580e-06


DD  step 237639999 load imb.: force 17.8%  pme mesh/force 0.739
           Step           Time
      237640000   475280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78173e+03    1.89045e+04    1.32185e+04    1.18555e+03   -2.96711e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84521e+03    9.27663e+04    3.99400e+05   -2.34154e+04   -2.97799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62987e+04   -2.44998e+06    4.81397e+05   -1.96858e+06    2.53268e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12098e+02   -2.07804e+02   -5.35597e+01    5.41368e-06


DD  step 237644999 load imb.: force 18.6%  pme mesh/force 0.772
           Step           Time
      237645000   475290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94889e+03    1.95681e+04    1.31177e+04    1.18181e+03   -3.05996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72880e+03    9.25660e+04    3.99217e+05   -2.33931e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63543e+04   -2.44863e+06    4.80636e+05   -1.96799e+06    2.53274e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11605e+02   -2.07409e+02   -3.26801e+01    5.25996e-06


DD  step 237649999 load imb.: force 19.0%  pme mesh/force 0.760
           Step           Time
      237650000   475300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16174e+03    1.93793e+04    1.32706e+04    1.25553e+03   -3.08349e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88799e+03    9.32453e+04    4.01670e+05   -2.34184e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65597e+04   -2.44534e+06    4.80128e+05   -1.96522e+06    2.53280e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11276e+02   -2.07856e+02    6.64159e+01    5.49615e-06


DD  step 237654999 load imb.: force 17.4%  pme mesh/force 0.752
           Step           Time
      237655000   475310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13886e+03    1.96007e+04    1.30406e+04    1.18631e+03   -2.92870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72808e+03    9.28486e+04    4.00875e+05   -2.33808e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64009e+04   -2.44798e+06    4.79552e+05   -1.96843e+06    2.53285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10902e+02   -2.07191e+02    5.52409e+01    5.28948e-06


DD  step 237659999 load imb.: force 17.4%  pme mesh/force 0.772
           Step           Time
      237660000   475320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91443e+03    1.98015e+04    1.31342e+04    1.21235e+03   -3.02419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81232e+03    9.23647e+04    3.99776e+05   -2.34087e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67096e+04   -2.44727e+06    4.79076e+05   -1.96819e+06    2.53291e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.07685e+02   -2.06814e+01    5.44921e-06


DD  step 237664999 load imb.: force 16.2%  pme mesh/force 0.736
           Step           Time
      237665000   475330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12947e+03    1.94230e+04    1.30195e+04    1.14694e+03   -3.00117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85520e+03    9.23380e+04    4.00259e+05   -2.34091e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66032e+04   -2.44835e+06    4.78230e+05   -1.97012e+06    2.53297e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.07692e+02    1.66188e+01    5.49468e-06


DD  step 237669999 load imb.: force 18.6%  pme mesh/force 0.765
           Step           Time
      237670000   475340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96024e+03    1.95609e+04    1.29565e+04    1.15365e+03   -3.09137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98849e+03    9.25193e+04    3.98883e+05   -2.33526e+04   -2.97373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64629e+04   -2.44569e+06    4.80839e+05   -1.96485e+06    2.53302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.06692e+02   -2.82634e+01    5.28246e-06


DD  step 237674999 load imb.: force 18.6%  pme mesh/force 0.771
           Step           Time
      237675000   475350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03131e+03    1.94124e+04    1.30021e+04    1.21851e+03   -3.03666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83611e+03    9.27361e+04    4.01245e+05   -2.33927e+04   -2.98021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63934e+04   -2.44976e+06    4.78338e+05   -1.97142e+06    2.53309e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10115e+02   -2.07402e+02    8.14923e+00    5.24108e-06


DD  step 237679999 load imb.: force 18.3%  pme mesh/force 0.763
           Step           Time
      237680000   475360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04625e+03    1.95795e+04    1.29954e+04    1.23785e+03   -3.07026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67801e+03    9.27629e+04    4.00140e+05   -2.33741e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65306e+04   -2.44609e+06    4.80263e+05   -1.96582e+06    2.53314e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.07072e+02   -3.17150e+01    5.41632e-06


DD  step 237684999 load imb.: force 19.0%  pme mesh/force 0.767
           Step           Time
      237685000   475370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98882e+03    1.95854e+04    1.29041e+04    1.26986e+03   -2.96920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87346e+03    9.25924e+04    3.98872e+05   -2.33218e+04   -2.97309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65980e+04   -2.44470e+06    4.79673e+05   -1.96503e+06    2.53320e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10981e+02   -2.06148e+02   -3.68613e+01    5.55624e-06


DD  step 237689999 load imb.: force 17.6%  pme mesh/force 0.742
           Step           Time
      237690000   475380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18403e+03    1.92225e+04    1.31573e+04    1.19345e+03   -3.17547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90727e+03    9.28196e+04    4.00962e+05   -2.33983e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65360e+04   -2.44775e+06    4.80471e+05   -1.96728e+06    2.53326e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11498e+02   -2.07501e+02   -1.23298e+01    5.47305e-06


DD  step 237694999 load imb.: force 21.8%  pme mesh/force 0.778
           Step           Time
      237695000   475390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92924e+03    2.00740e+04    1.32318e+04    1.11473e+03   -3.01636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85385e+03    9.28663e+04    4.00843e+05   -2.33704e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64434e+04   -2.44599e+06    4.82419e+05   -1.96357e+06    2.53331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12761e+02   -2.07007e+02    2.72958e+01    5.49850e-06


DD  step 237699999 load imb.: force 19.0%  pme mesh/force 0.673
           Step           Time
      237700000   475400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90393e+03    1.97416e+04    1.30901e+04    1.25567e+03   -3.13209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83034e+03    9.28707e+04    4.01946e+05   -2.33528e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66106e+04   -2.44568e+06    4.80504e+05   -1.96517e+06    2.53337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11519e+02   -2.06695e+02    3.44697e+01    5.31617e-06


DD  step 237704999 load imb.: force 16.2%  pme mesh/force 0.736
           Step           Time
      237705000   475410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01164e+03    1.94735e+04    1.29742e+04    1.22878e+03   -3.08007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89540e+03    9.31632e+04    3.99675e+05   -2.34003e+04   -2.97464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63571e+04   -2.44534e+06    4.79760e+05   -1.96558e+06    2.53343e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11037e+02   -2.07537e+02    5.83299e+01    5.51128e-06


DD  step 237709999 load imb.: force 18.4%  pme mesh/force 0.739
           Step           Time
      237710000   475420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99143e+03    1.95353e+04    1.31658e+04    1.21017e+03   -3.05921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87730e+03    9.30508e+04    4.00356e+05   -2.33612e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65909e+04   -2.44586e+06    4.80623e+05   -1.96524e+06    2.53349e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11597e+02   -2.06844e+02   -9.85645e+00    5.43221e-06


DD  step 237714999 load imb.: force 17.7%  pme mesh/force 0.775
           Step           Time
      237715000   475430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07623e+03    1.95085e+04    1.30493e+04    1.15411e+03   -2.98325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90380e+03    9.27381e+04    3.99981e+05   -2.33213e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65397e+04   -2.44515e+06    4.80753e+05   -1.96439e+06    2.53354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11681e+02   -2.06140e+02   -1.04086e+01    5.34911e-06


DD  step 237719999 load imb.: force 16.8%  pme mesh/force 0.736
           Step           Time
      237720000   475440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10214e+03    1.93866e+04    1.30648e+04    1.12776e+03   -3.11316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76784e+03    9.29796e+04    4.01208e+05   -2.33883e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65422e+04   -2.44894e+06    4.79599e+05   -1.96934e+06    2.53361e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.07324e+02    7.32668e+00    5.41355e-06


DD  step 237724999 load imb.: force 16.3%  pme mesh/force 0.717
           Step           Time
      237725000   475450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99510e+03    1.95873e+04    1.31428e+04    1.19315e+03   -3.03357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93093e+03    9.26238e+04    4.00056e+05   -2.34177e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64933e+04   -2.44779e+06    4.79831e+05   -1.96795e+06    2.53367e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.07844e+02    2.25502e+01    5.23747e-06


DD  step 237729999 load imb.: force 16.7%  pme mesh/force 0.743
           Step           Time
      237730000   475460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88032e+03    1.93476e+04    1.31181e+04    1.14914e+03   -3.10901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81907e+03    9.37505e+04    4.03059e+05   -2.33789e+04   -2.98091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65312e+04   -2.44774e+06    4.79162e+05   -1.96858e+06    2.53372e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10649e+02   -2.07157e+02    4.65881e+01    5.55167e-06


DD  step 237734999 load imb.: force 16.7%  pme mesh/force 0.764
           Step           Time
      237735000   475470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79797e+03    1.90312e+04    1.29762e+04    1.18936e+03   -3.16067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88602e+03    9.32182e+04    3.98727e+05   -2.33869e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66925e+04   -2.44906e+06    4.78987e+05   -1.97008e+06    2.53377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10536e+02   -2.07298e+02   -6.47264e+01    5.42889e-06


DD  step 237739999 load imb.: force 17.4%  pme mesh/force 0.724
           Step           Time
      237740000   475480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98925e+03    1.94235e+04    1.29830e+04    1.20225e+03   -3.08387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88967e+03    9.28309e+04    3.98456e+05   -2.33963e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64065e+04   -2.44728e+06    4.79286e+05   -1.96799e+06    2.53384e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10729e+02   -2.07465e+02   -4.04404e+01    5.38852e-06


DD  step 237744999 load imb.: force 18.0%  pme mesh/force 0.750
           Step           Time
      237745000   475490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92764e+03    1.94658e+04    1.30495e+04    1.08982e+03   -3.08883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81479e+03    9.32930e+04    4.00090e+05   -2.33749e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64193e+04   -2.44576e+06    4.77490e+05   -1.96828e+06    2.53389e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09565e+02   -2.07087e+02   -2.76788e+01    5.29839e-06


DD  step 237749999 load imb.: force 18.4%  pme mesh/force 0.754
           Step           Time
      237750000   475500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10173e+03    1.95752e+04    1.31250e+04    1.25551e+03   -3.09608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80752e+03    9.28184e+04    3.97213e+05   -2.33793e+04   -2.97127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64692e+04   -2.44437e+06    4.78319e+05   -1.96606e+06    2.53395e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10103e+02   -2.07164e+02   -8.73194e+01    5.21290e-06


DD  step 237754999 load imb.: force 18.2%  pme mesh/force 0.749
           Step           Time
      237755000   475510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75964e+03    1.96260e+04    1.30416e+04    1.19375e+03   -3.18712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94862e+03    9.27470e+04    4.00069e+05   -2.33731e+04   -2.97637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64935e+04   -2.44705e+06    4.80247e+05   -1.96680e+06    2.53401e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11353e+02   -2.07054e+02    1.52357e+01    5.31463e-06


DD  step 237759999 load imb.: force 18.6%  pme mesh/force 0.745
           Step           Time
      237760000   475520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90957e+03    1.94065e+04    1.31292e+04    1.23891e+03   -3.12927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86289e+03    9.29691e+04    4.04226e+05   -2.34103e+04   -2.98165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64329e+04   -2.44801e+06    4.77518e+05   -1.97049e+06    2.53407e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09584e+02   -2.07714e+02    8.92910e+01    5.31514e-06

Writing checkpoint, step 237761900 at Wed Nov  8 08:46:28 2023



DD  step 237764999 load imb.: force 17.5%  pme mesh/force 0.725
           Step           Time
      237765000   475530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25981e+03    1.94351e+04    1.31218e+04    1.16498e+03   -3.10598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82901e+03    9.25282e+04    3.99882e+05   -2.33796e+04   -2.97700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64042e+04   -2.44786e+06    4.78780e+05   -1.96908e+06    2.53412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10401e+02   -2.07170e+02   -5.51352e+01    5.23907e-06


DD  step 237769999 load imb.: force 17.2%  pme mesh/force 0.731
           Step           Time
      237770000   475540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01654e+03    1.95114e+04    1.30659e+04    1.15149e+03   -3.05890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88231e+03    9.26958e+04    4.01662e+05   -2.33972e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66042e+04   -2.44713e+06    4.79050e+05   -1.96808e+06    2.53418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.07481e+02    7.74562e+01    5.44812e-06


DD  step 237774999 load imb.: force 18.1%  pme mesh/force 0.747
           Step           Time
      237775000   475550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80806e+03    1.94346e+04    1.32110e+04    1.08576e+03   -3.14542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85492e+03    9.31700e+04    4.00390e+05   -2.34139e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67251e+04   -2.44712e+06    4.82102e+05   -1.96502e+06    2.53423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12555e+02   -2.07777e+02    3.09250e+01    5.30621e-06


DD  step 237779999 load imb.: force 18.2%  pme mesh/force 0.764
           Step           Time
      237780000   475560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87612e+03    1.95218e+04    1.30754e+04    1.20930e+03   -2.94334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81966e+03    9.30528e+04    4.00130e+05   -2.34262e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63917e+04   -2.44793e+06    4.79395e+05   -1.96853e+06    2.53429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10801e+02   -2.07996e+02    9.30344e-01    5.32691e-06


DD  step 237784999 load imb.: force 16.3%  pme mesh/force 0.725
           Step           Time
      237785000   475570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27963e+03    1.94137e+04    1.31115e+04    1.21640e+03   -3.11985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79964e+03    9.28177e+04    3.97799e+05   -2.33600e+04   -2.97256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67176e+04   -2.44488e+06    4.78553e+05   -1.96633e+06    2.53435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10255e+02   -2.06824e+02   -1.31634e+02    5.49252e-06


DD  step 237789999 load imb.: force 16.8%  pme mesh/force 0.744
           Step           Time
      237790000   475580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95876e+03    1.93518e+04    1.29503e+04    1.17445e+03   -3.09597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94663e+03    9.33271e+04    4.03247e+05   -2.34175e+04   -2.98169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64698e+04   -2.44878e+06    4.81614e+05   -1.96717e+06    2.53441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12239e+02   -2.07841e+02    1.21983e+02    5.30194e-06


DD  step 237794999 load imb.: force 18.8%  pme mesh/force 0.757
           Step           Time
      237795000   475590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10292e+03    1.94613e+04    1.29939e+04    1.26580e+03   -2.99983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86020e+03    9.23071e+04    4.01912e+05   -2.34007e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64483e+04   -2.44532e+06    4.79896e+05   -1.96542e+06    2.53447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11125e+02   -2.07544e+02    4.75849e+01    5.48432e-06


DD  step 237799999 load imb.: force 17.0%  pme mesh/force 0.768
           Step           Time
      237800000   475600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04588e+03    1.95345e+04    1.31992e+04    1.24106e+03   -3.06044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93577e+03    9.26273e+04    3.99790e+05   -2.33544e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62458e+04   -2.44654e+06    4.80963e+05   -1.96557e+06    2.53453e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11817e+02   -2.06725e+02    2.01132e+01    5.27705e-06


DD  step 237804999 load imb.: force 17.8%  pme mesh/force 0.776
           Step           Time
      237805000   475610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04656e+03    1.98250e+04    1.30354e+04    1.13416e+03   -3.12056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72750e+03    9.27537e+04    4.00420e+05   -2.34027e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66767e+04   -2.44935e+06    4.80925e+05   -1.96843e+06    2.53459e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11792e+02   -2.07578e+02   -1.94977e+01    5.48921e-06


DD  step 237809999 load imb.: force 17.4%  pme mesh/force 0.745
           Step           Time
      237810000   475620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05264e+03    1.95807e+04    1.31365e+04    1.09205e+03   -3.14070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88699e+03    9.27572e+04    4.03366e+05   -2.34552e+04   -2.98056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64072e+04   -2.44788e+06    4.80427e+05   -1.96745e+06    2.53465e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.08511e+02    1.44890e+02    5.37912e-06


DD  step 237814999 load imb.: force 16.3%  pme mesh/force 0.757
           Step           Time
      237815000   475630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01003e+03    1.96158e+04    1.30358e+04    1.16702e+03   -3.14410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77578e+03    9.25709e+04    3.99983e+05   -2.33810e+04   -2.97799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66349e+04   -2.44872e+06    4.78769e+05   -1.96995e+06    2.53470e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10394e+02   -2.07194e+02   -4.41721e+01    5.32201e-06


DD  step 237819999 load imb.: force 17.1%  pme mesh/force 0.779
           Step           Time
      237820000   475640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94305e+03    1.91869e+04    1.29333e+04    1.17586e+03   -3.04145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95046e+03    9.27368e+04    3.98193e+05   -2.33734e+04   -2.97381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62109e+04   -2.44690e+06    4.78444e+05   -1.96845e+06    2.53476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10184e+02   -2.07059e+02   -2.14920e+01    5.47930e-06


DD  step 237824999 load imb.: force 16.0%  pme mesh/force 0.751
           Step           Time
      237825000   475650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01003e+03    1.96546e+04    1.32520e+04    1.17559e+03   -3.14214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87352e+03    9.26488e+04    3.99563e+05   -2.33016e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66796e+04   -2.44502e+06    4.80975e+05   -1.96405e+06    2.53482e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11825e+02   -2.05791e+02   -6.00744e+01    5.33652e-06


DD  step 237829999 load imb.: force 16.3%  pme mesh/force 0.767
           Step           Time
      237830000   475660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17204e+03    1.95648e+04    1.32844e+04    1.18874e+03   -3.24245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83628e+03    9.26122e+04    4.01193e+05   -2.33804e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63953e+04   -2.44580e+06    4.80688e+05   -1.96511e+06    2.53487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.07183e+02    4.49115e+00    5.42753e-06


DD  step 237834999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      237835000   475670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19729e+03    1.99778e+04    1.30323e+04    1.17545e+03   -3.16940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89914e+03    9.27214e+04    4.00890e+05   -2.33894e+04   -2.97580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65013e+04   -2.44496e+06    4.80049e+05   -1.96491e+06    2.53493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.07342e+02    3.40231e+01    5.48502e-06


DD  step 237839999 load imb.: force 17.5%  pme mesh/force 0.756
           Step           Time
      237840000   475680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09150e+03    1.95592e+04    1.33071e+04    1.32713e+03   -3.20316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83914e+03    9.27957e+04    3.99314e+05   -2.33871e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66297e+04   -2.44759e+06    4.79469e+05   -1.96812e+06    2.53499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10848e+02   -2.07303e+02   -1.56569e+01    5.43319e-06


DD  step 237844999 load imb.: force 18.4%  pme mesh/force 0.734
           Step           Time
      237845000   475690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07279e+03    1.93358e+04    1.30784e+04    1.18196e+03   -2.97018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85949e+03    9.28432e+04    4.00398e+05   -2.34322e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66842e+04   -2.44686e+06    4.81070e+05   -1.96579e+06    2.53505e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11886e+02   -2.08101e+02    3.72971e+01    5.39487e-06


DD  step 237849999 load imb.: force 18.9%  pme mesh/force 0.777
           Step           Time
      237850000   475700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96661e+03    1.93854e+04    1.32694e+04    1.21413e+03   -3.03020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84434e+03    9.28326e+04    4.00078e+05   -2.33405e+04   -2.97475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66408e+04   -2.44489e+06    4.78985e+05   -1.96590e+06    2.53510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.06478e+02   -3.41185e+01    5.63406e-06


DD  step 237854999 load imb.: force 16.3%  pme mesh/force 0.778
           Step           Time
      237855000   475710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92187e+03    1.92902e+04    1.31288e+04    1.19961e+03   -3.16956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99474e+03    9.29279e+04    3.99405e+05   -2.33153e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64799e+04   -2.44576e+06    4.79922e+05   -1.96584e+06    2.53516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11142e+02   -2.06032e+02   -1.24749e+01    5.45630e-06


DD  step 237859999 load imb.: force 15.0%  pme mesh/force 0.735
           Step           Time
      237860000   475720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03772e+03    1.93729e+04    1.30983e+04    1.21297e+03   -3.10962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99484e+03    9.25978e+04    4.01294e+05   -2.33747e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63604e+04   -2.44865e+06    4.79730e+05   -1.96892e+06    2.53522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.07082e+02    3.41888e+01    5.33852e-06


DD  step 237864999 load imb.: force 14.9%  pme mesh/force 0.720
           Step           Time
      237865000   475730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83095e+03    1.96129e+04    1.31192e+04    1.19588e+03   -3.09915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83449e+03    9.27620e+04    4.00300e+05   -2.33872e+04   -2.97415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65016e+04   -2.44448e+06    4.80062e+05   -1.96442e+06    2.53528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11232e+02   -2.07304e+02    5.33542e+01    5.60259e-06


DD  step 237869999 load imb.: force 15.7%  pme mesh/force 0.707
           Step           Time
      237870000   475740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23397e+03    1.95260e+04    1.29561e+04    1.15877e+03   -3.12184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75504e+03    9.25512e+04    4.00506e+05   -2.33561e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65860e+04   -2.44678e+06    4.80645e+05   -1.96613e+06    2.53534e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.06755e+02   -2.06140e+01    5.48149e-06


DD  step 237874999 load imb.: force 13.6%  pme mesh/force 0.729
           Step           Time
      237875000   475750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24325e+03    1.91677e+04    1.30923e+04    1.16034e+03   -3.18756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74931e+03    9.25667e+04    4.03088e+05   -2.33611e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65633e+04   -2.44962e+06    4.79854e+05   -1.96977e+06    2.53540e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11098e+02   -2.06843e+02   -4.07052e+01    5.50782e-06


DD  step 237879999 load imb.: force 17.9%  pme mesh/force 0.739
           Step           Time
      237880000   475760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94867e+03    1.89114e+04    1.30171e+04    1.20520e+03   -3.07266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80021e+03    9.33229e+04    3.99037e+05   -2.34674e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64451e+04   -2.44905e+06    4.78735e+05   -1.97031e+06    2.53546e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.08727e+02    1.54987e+01    5.60619e-06


DD  step 237884999 load imb.: force 15.9%  pme mesh/force 0.755
           Step           Time
      237885000   475770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90943e+03    1.92586e+04    1.31253e+04    1.17005e+03   -3.13627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81395e+03    9.31709e+04    3.97682e+05   -2.33297e+04   -2.97156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67112e+04   -2.44418e+06    4.80890e+05   -1.96329e+06    2.53551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11770e+02   -2.06288e+02   -6.97114e+01    5.61703e-06


DD  step 237889999 load imb.: force 16.0%  pme mesh/force 0.760
           Step           Time
      237890000   475780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09332e+03    1.95935e+04    1.30927e+04    1.24699e+03   -3.13118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86028e+03    9.25063e+04    4.04096e+05   -2.34027e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66225e+04   -2.44498e+06    4.80759e+05   -1.96422e+06    2.53558e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11685e+02   -2.07579e+02    1.17766e+02    5.55649e-06


DD  step 237894999 load imb.: force 15.3%  pme mesh/force 0.737
           Step           Time
      237895000   475790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85236e+03    1.96374e+04    1.29724e+04    1.18207e+03   -3.12084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95463e+03    9.27403e+04    4.02257e+05   -2.33769e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63072e+04   -2.44513e+06    4.79795e+05   -1.96533e+06    2.53563e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.07122e+02    1.40226e+02    5.45181e-06


DD  step 237899999 load imb.: force 15.3%  pme mesh/force 0.735
           Step           Time
      237900000   475800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98456e+03    1.95627e+04    1.30946e+04    1.19159e+03   -3.08288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85556e+03    9.30418e+04    3.96678e+05   -2.33411e+04   -2.97333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64708e+04   -2.44687e+06    4.79544e+05   -1.96733e+06    2.53569e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.06489e+02   -1.21306e+02    5.67103e-06


DD  step 237904999 load imb.: force 14.9%  pme mesh/force 0.797
           Step           Time
      237905000   475810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78878e+03    2.00724e+04    1.29695e+04    1.13754e+03   -3.16076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84334e+03    9.28191e+04    3.99206e+05   -2.33675e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65571e+04   -2.44648e+06    4.79655e+05   -1.96682e+06    2.53575e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10969e+02   -2.06955e+02   -6.45625e+01    5.46930e-06


DD  step 237909999 load imb.: force 17.8%  pme mesh/force 0.782
           Step           Time
      237910000   475820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01660e+03    1.97037e+04    1.31129e+04    1.20822e+03   -3.10350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85140e+03    9.25757e+04    3.98619e+05   -2.33922e+04   -2.97447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65397e+04   -2.44634e+06    4.81288e+05   -1.96505e+06    2.53580e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12028e+02   -2.07393e+02   -5.64934e+01    5.61500e-06


DD  step 237914999 load imb.: force 16.7%  pme mesh/force 0.754
           Step           Time
      237915000   475830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25783e+03    1.92842e+04    1.32443e+04    1.08988e+03   -3.06940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74055e+03    9.27696e+04    3.98077e+05   -2.33551e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67464e+04   -2.44605e+06    4.81421e+05   -1.96463e+06    2.53587e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12114e+02   -2.06737e+02   -1.15792e+02    5.74529e-06


DD  step 237919999 load imb.: force 16.6%  pme mesh/force 0.738
           Step           Time
      237920000   475840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96663e+03    1.95624e+04    1.29937e+04    1.14274e+03   -3.12725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80684e+03    9.26434e+04    4.00337e+05   -2.33941e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62501e+04   -2.44904e+06    4.77460e+05   -1.97158e+06    2.53593e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09546e+02   -2.07426e+02   -3.16464e+01    5.62715e-06


DD  step 237924999 load imb.: force 17.7%  pme mesh/force 0.753
           Step           Time
      237925000   475850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91944e+03    1.93347e+04    1.31141e+04    1.22075e+03   -3.18536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85798e+03    9.25135e+04    4.01255e+05   -2.33481e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64783e+04   -2.44846e+06    4.78357e+05   -1.97011e+06    2.53598e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10127e+02   -2.06612e+02   -3.70460e+01    5.61189e-06


DD  step 237929999 load imb.: force 15.3%  pme mesh/force 0.741
           Step           Time
      237930000   475860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93566e+03    1.95289e+04    1.30995e+04    1.19438e+03   -3.02832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82083e+03    9.29218e+04    3.95859e+05   -2.33459e+04   -2.97073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63069e+04   -2.44544e+06    4.80345e+05   -1.96510e+06    2.53604e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11416e+02   -2.06574e+02   -1.52706e+02    5.59188e-06


DD  step 237934999 load imb.: force 16.5%  pme mesh/force 0.765
           Step           Time
      237935000   475870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04644e+03    1.93186e+04    1.31072e+04    1.13829e+03   -3.05365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92041e+03    9.26973e+04    4.01582e+05   -2.34091e+04   -2.98052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65897e+04   -2.44958e+06    4.79352e+05   -1.97023e+06    2.53610e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10772e+02   -2.07692e+02    2.87089e+01    5.61155e-06


DD  step 237939999 load imb.: force 17.4%  pme mesh/force 0.743
           Step           Time
      237940000   475880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12104e+03    1.97100e+04    1.31769e+04    1.23445e+03   -3.16145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88777e+03    9.24986e+04    3.98696e+05   -2.33463e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63310e+04   -2.44707e+06    4.78653e+05   -1.96842e+06    2.53616e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10319e+02   -2.06581e+02   -2.30127e+01    5.71981e-06


DD  step 237944999 load imb.: force 17.2%  pme mesh/force 0.741
           Step           Time
      237945000   475890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24733e+03    1.90711e+04    1.31884e+04    1.14560e+03   -3.09695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81451e+03    9.26842e+04    4.00086e+05   -2.33862e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64553e+04   -2.44768e+06    4.80149e+05   -1.96753e+06    2.53621e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11289e+02   -2.07287e+02   -9.56676e+00    5.54631e-06


DD  step 237949999 load imb.: force 17.6%  pme mesh/force 0.751
           Step           Time
      237950000   475900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21276e+03    1.98996e+04    1.31230e+04    1.08630e+03   -3.10627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75489e+03    9.17543e+04    3.95572e+05   -2.33601e+04   -2.96877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64754e+04   -2.44436e+06    4.81992e+05   -1.96237e+06    2.53626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12484e+02   -2.06825e+02   -1.34329e+02    5.65687e-06


DD  step 237954999 load imb.: force 16.3%  pme mesh/force 0.758
           Step           Time
      237955000   475910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95269e+03    1.90714e+04    1.31443e+04    1.15688e+03   -3.13215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78063e+03    9.26800e+04    4.00796e+05   -2.33924e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63694e+04   -2.45020e+06    4.78162e+05   -1.97204e+06    2.53632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10001e+02   -2.07397e+02   -6.95689e+01    5.68497e-06


DD  step 237959999 load imb.: force 17.0%  pme mesh/force 0.785
           Step           Time
      237960000   475920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66353e+03    1.92264e+04    1.30910e+04    1.05295e+03   -3.07977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85231e+03    9.30159e+04    3.99979e+05   -2.33647e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66970e+04   -2.44654e+06    4.77566e+05   -1.96897e+06    2.53638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09614e+02   -2.06907e+02   -2.52746e+01    5.64760e-06


DD  step 237964999 load imb.: force 16.4%  pme mesh/force 0.779
           Step           Time
      237965000   475930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23869e+03    1.97154e+04    1.32761e+04    1.23698e+03   -3.09631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74023e+03    9.22173e+04    4.03587e+05   -2.33269e+04   -2.98066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65413e+04   -2.44753e+06    4.80528e+05   -1.96700e+06    2.53644e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.06238e+02   -1.44956e+01    5.68425e-06


DD  step 237969999 load imb.: force 16.6%  pme mesh/force 0.770
           Step           Time
      237970000   475940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97867e+03    1.94267e+04    1.32341e+04    1.23755e+03   -3.17197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97828e+03    9.27636e+04    4.01863e+05   -2.34337e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66536e+04   -2.44670e+06    4.79194e+05   -1.96751e+06    2.53650e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10670e+02   -2.08128e+02    6.21705e+01    5.75493e-06


DD  step 237974999 load imb.: force 16.8%  pme mesh/force 0.749
           Step           Time
      237975000   475950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84906e+03    1.92276e+04    1.30029e+04    1.26830e+03   -3.08547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88918e+03    9.29895e+04    3.98722e+05   -2.34574e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64687e+04   -2.44748e+06    4.79254e+05   -1.96822e+06    2.53655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10709e+02   -2.08549e+02   -8.08452e+00    5.60697e-06


DD  step 237979999 load imb.: force 19.4%  pme mesh/force 0.779
           Step           Time
      237980000   475960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89123e+03    1.97412e+04    1.32179e+04    1.27037e+03   -3.14682e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94365e+03    9.25514e+04    3.98466e+05   -2.33233e+04   -2.97135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63577e+04   -2.44338e+06    4.79191e+05   -1.96418e+06    2.53661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10668e+02   -2.06175e+02   -5.79606e+01    5.71248e-06


DD  step 237984999 load imb.: force 15.5%  pme mesh/force 0.718
           Step           Time
      237985000   475970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02826e+03    1.92890e+04    1.31329e+04    1.22486e+03   -3.00709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02325e+03    9.28849e+04    4.03070e+05   -2.33966e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63158e+04   -2.44571e+06    4.80090e+05   -1.96562e+06    2.53667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11251e+02   -2.07471e+02    1.20139e+02    5.58022e-06


DD  step 237989999 load imb.: force 18.1%  pme mesh/force 0.778
           Step           Time
      237990000   475980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91002e+03    1.92973e+04    1.32928e+04    1.17045e+03   -3.16867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74536e+03    9.26439e+04    4.01643e+05   -2.33767e+04   -2.97992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63151e+04   -2.44945e+06    4.79500e+05   -1.96995e+06    2.53672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10868e+02   -2.07119e+02   -9.00169e+00    5.60693e-06


DD  step 237994999 load imb.: force 16.6%  pme mesh/force 0.744
           Step           Time
      237995000   475990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89786e+03    1.91649e+04    1.30215e+04    1.12826e+03   -3.18586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99237e+03    9.33162e+04    3.98893e+05   -2.33714e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66830e+04   -2.44516e+06    4.79363e+05   -1.96580e+06    2.53678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10779e+02   -2.07025e+02   -1.73846e+01    5.84174e-06


DD  step 237999999 load imb.: force 16.7%  pme mesh/force 0.735
           Step           Time
      238000000   476000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02914e+03    1.95015e+04    1.32310e+04    1.18888e+03   -3.03949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78791e+03    9.30544e+04    4.02004e+05   -2.33769e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65205e+04   -2.44490e+06    4.79834e+05   -1.96506e+06    2.53684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11085e+02   -2.07122e+02    7.76585e+01    5.83104e-06


DD  step 238004999 load imb.: force 15.9%  pme mesh/force 0.717
           Step           Time
      238005000   476010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92132e+03    1.92138e+04    1.31942e+04    1.21969e+03   -3.22511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78725e+03    9.27660e+04    4.00042e+05   -2.34313e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63929e+04   -2.45132e+06    4.79163e+05   -1.97216e+06    2.53690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10650e+02   -2.08086e+02   -9.68199e+00    5.61407e-06


DD  step 238009999 load imb.: force 17.4%  pme mesh/force 0.786
           Step           Time
      238010000   476020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02073e+03    1.92871e+04    1.32264e+04    1.17817e+03   -3.05057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89250e+03    9.26896e+04    3.99248e+05   -2.34187e+04   -2.97564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64662e+04   -2.44710e+06    4.78895e+05   -1.96821e+06    2.53696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10476e+02   -2.07863e+02    4.81799e+00    5.57667e-06


DD  step 238014999 load imb.: force 15.5%  pme mesh/force 0.742
           Step           Time
      238015000   476030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08164e+03    1.98675e+04    1.30738e+04    1.25403e+03   -3.13964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89190e+03    9.25324e+04    3.97647e+05   -2.34169e+04   -2.97264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65250e+04   -2.44532e+06    4.79353e+05   -1.96597e+06    2.53701e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.07831e+02   -6.82617e+01    5.64692e-06


DD  step 238019999 load imb.: force 15.7%  pme mesh/force 0.726
           Step           Time
      238020000   476040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89834e+03    1.92111e+04    1.30805e+04    1.11318e+03   -3.01268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89561e+03    9.30157e+04    4.01603e+05   -2.33944e+04   -2.98001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63998e+04   -2.44920e+06    4.80395e+05   -1.96881e+06    2.53707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11449e+02   -2.07432e+02    2.53053e+01    5.61332e-06


DD  step 238024999 load imb.: force 16.0%  pme mesh/force 0.731
           Step           Time
      238025000   476050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07775e+03    1.91320e+04    1.31600e+04    1.17964e+03   -3.18215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86976e+03    9.28116e+04    4.00457e+05   -2.33900e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63785e+04   -2.44650e+06    4.79315e+05   -1.96719e+06    2.53713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10749e+02   -2.07354e+02    5.07784e+00    5.88182e-06


DD  step 238029999 load imb.: force 17.8%  pme mesh/force 0.775
           Step           Time
      238030000   476060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97524e+03    1.93836e+04    1.30860e+04    1.09855e+03   -3.02054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88320e+03    9.24839e+04    3.99232e+05   -2.33949e+04   -2.97461e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64168e+04   -2.44646e+06    4.78762e+05   -1.96770e+06    2.53718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10390e+02   -2.07442e+02   -3.31803e+01    5.65726e-06


DD  step 238034999 load imb.: force 16.2%  pme mesh/force 0.755
           Step           Time
      238035000   476070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14791e+03    1.97734e+04    1.30359e+04    1.22203e+03   -3.12452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97341e+03    9.30018e+04    4.00075e+05   -2.34055e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64432e+04   -2.44475e+06    4.80448e+05   -1.96430e+06    2.53725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11483e+02   -2.07628e+02    5.26067e+01    5.70347e-06


DD  step 238039999 load imb.: force 18.1%  pme mesh/force 0.786
           Step           Time
      238040000   476080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01833e+03    1.94125e+04    1.30215e+04    1.21232e+03   -3.22538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84468e+03    9.27168e+04    4.03555e+05   -2.33898e+04   -2.98114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63841e+04   -2.44859e+06    4.79954e+05   -1.96864e+06    2.53730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.07351e+02    5.79415e+01    5.74324e-06


DD  step 238044999 load imb.: force 16.6%  pme mesh/force 0.752
           Step           Time
      238045000   476090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28760e+03    1.92508e+04    1.31550e+04    1.18504e+03   -2.96813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73083e+03    9.34242e+04    3.99860e+05   -2.33812e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63607e+04   -2.44816e+06    4.79608e+05   -1.96855e+06    2.53736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.07198e+02   -7.17787e+01    5.62914e-06


DD  step 238049999 load imb.: force 18.5%  pme mesh/force 0.732
           Step           Time
      238050000   476100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25554e+03    2.00653e+04    1.31940e+04    1.23378e+03   -3.13344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79336e+03    9.26400e+04    3.97244e+05   -2.33856e+04   -2.96932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67561e+04   -2.44165e+06    4.81020e+05   -1.96063e+06    2.53742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11854e+02   -2.07276e+02   -9.58916e+01    5.59337e-06


DD  step 238054999 load imb.: force 16.2%  pme mesh/force 0.754
           Step           Time
      238055000   476110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35108e+03    1.93395e+04    1.30878e+04    1.27736e+03   -3.01701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79101e+03    9.23969e+04    4.00267e+05   -2.33819e+04   -2.97362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65729e+04   -2.44394e+06    4.79248e+05   -1.96469e+06    2.53748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10705e+02   -2.07211e+02   -1.70547e+00    5.68597e-06


DD  step 238059999 load imb.: force 16.1%  pme mesh/force 0.741
           Step           Time
      238060000   476120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99546e+03    1.95886e+04    1.30753e+04    1.20626e+03   -3.08371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91207e+03    9.29785e+04    4.05096e+05   -2.33980e+04   -2.98325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65756e+04   -2.44830e+06    4.80844e+05   -1.96746e+06    2.53754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11740e+02   -2.07495e+02    1.59980e+02    5.62079e-06


DD  step 238064999 load imb.: force 15.2%  pme mesh/force 0.744
           Step           Time
      238065000   476130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86481e+03    1.93470e+04    1.31474e+04    1.15622e+03   -3.11990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96923e+03    9.24130e+04    4.00386e+05   -2.33839e+04   -2.97365e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65563e+04   -2.44432e+06    4.78389e+05   -1.96593e+06    2.53760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10148e+02   -2.07245e+02    9.27112e+01    5.87900e-06


DD  step 238069999 load imb.: force 16.2%  pme mesh/force 0.731
           Step           Time
      238070000   476140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21685e+03    1.96268e+04    1.29856e+04    1.27138e+03   -3.03811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84005e+03    9.30352e+04    3.98910e+05   -2.33825e+04   -2.97154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66786e+04   -2.44240e+06    4.80804e+05   -1.96159e+06    2.53765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11714e+02   -2.07221e+02   -1.66303e+01    5.46420e-06


DD  step 238074999 load imb.: force 17.7%  pme mesh/force 0.765
           Step           Time
      238075000   476150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82499e+03    1.94560e+04    1.32284e+04    1.13740e+03   -3.15155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74864e+03    9.31854e+04    4.01313e+05   -2.34183e+04   -2.97834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63495e+04   -2.44767e+06    4.79085e+05   -1.96858e+06    2.53772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.07855e+02    5.39971e+01    5.62633e-06


DD  step 238079999 load imb.: force 18.0%  pme mesh/force 0.689
           Step           Time
      238080000   476160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26354e+03    1.94765e+04    1.31916e+04    1.22412e+03   -3.11568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84119e+03    9.30624e+04    4.00561e+05   -2.33093e+04   -2.97242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66076e+04   -2.44161e+06    4.77930e+05   -1.96368e+06    2.53777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09851e+02   -2.05927e+02   -2.55311e+01    5.59141e-06


DD  step 238084999 load imb.: force 15.7%  pme mesh/force 0.732
           Step           Time
      238085000   476170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81255e+03    1.94794e+04    1.30904e+04    1.05935e+03   -3.05306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84069e+03    9.35937e+04    4.01002e+05   -2.33412e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65805e+04   -2.44606e+06    4.79650e+05   -1.96641e+06    2.53783e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10966e+02   -2.06491e+02    1.60110e+01    5.52856e-06


DD  step 238089999 load imb.: force 15.9%  pme mesh/force 0.745
           Step           Time
      238090000   476180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98199e+03    1.91072e+04    1.32335e+04    1.22472e+03   -3.00843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88674e+03    9.32910e+04    3.98752e+05   -2.34106e+04   -2.97505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64642e+04   -2.44653e+06    4.78189e+05   -1.96834e+06    2.53789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10019e+02   -2.07720e+02   -2.63612e+01    5.45805e-06

Writing checkpoint, step 238094300 at Wed Nov  8 09:01:28 2023



DD  step 238094999 load imb.: force 17.4%  pme mesh/force 0.736
           Step           Time
      238095000   476190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20452e+03    1.94864e+04    1.32769e+04    1.22746e+03   -3.09023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86832e+03    9.28577e+04    4.00955e+05   -2.33885e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66373e+04   -2.44650e+06    4.78254e+05   -1.96825e+06    2.53795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10061e+02   -2.07327e+02    2.88176e+01    5.67023e-06


DD  step 238099999 load imb.: force 17.5%  pme mesh/force 0.728
           Step           Time
      238100000   476200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79503e+03    1.97123e+04    1.31088e+04    1.22805e+03   -3.25699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80882e+03    9.30836e+04    4.01263e+05   -2.34281e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63052e+04   -2.44922e+06    4.78311e+05   -1.97091e+06    2.53800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10098e+02   -2.08029e+02    6.87997e+01    5.55808e-06


DD  step 238104999 load imb.: force 14.1%  pme mesh/force 0.759
           Step           Time
      238105000   476210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09501e+03    1.96862e+04    1.29305e+04    1.15824e+03   -3.02326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81286e+03    9.27063e+04    3.98038e+05   -2.33934e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64246e+04   -2.44980e+06    4.79304e+05   -1.97050e+06    2.53806e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10741e+02   -2.07415e+02   -1.07017e+02    5.61788e-06


DD  step 238109999 load imb.: force 17.1%  pme mesh/force 0.739
           Step           Time
      238110000   476220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92490e+03    1.93282e+04    1.32588e+04    1.12221e+03   -3.08041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81650e+03    9.25817e+04    4.03297e+05   -2.34079e+04   -2.98102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65807e+04   -2.44860e+06    4.79349e+05   -1.96925e+06    2.53812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10771e+02   -2.07670e+02    1.29202e+02    5.56741e-06


DD  step 238114999 load imb.: force 15.2%  pme mesh/force 0.746
           Step           Time
      238115000   476230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05415e+03    1.96055e+04    1.31371e+04    1.10627e+03   -3.04176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83921e+03    9.30766e+04    4.01340e+05   -2.34109e+04   -2.97897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64935e+04   -2.44777e+06    4.80388e+05   -1.96739e+06    2.53818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11444e+02   -2.07723e+02    2.27897e+01    5.50581e-06


DD  step 238119999 load imb.: force 15.3%  pme mesh/force 0.748
           Step           Time
      238120000   476240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00467e+03    1.95036e+04    1.30057e+04    1.19945e+03   -3.14292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81473e+03    9.30324e+04    3.98201e+05   -2.33995e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65108e+04   -2.44776e+06    4.79352e+05   -1.96841e+06    2.53824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10772e+02   -2.07523e+02   -6.94113e+01    5.39104e-06


DD  step 238124999 load imb.: force 15.9%  pme mesh/force 0.749
           Step           Time
      238125000   476250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05358e+03    1.93811e+04    1.32189e+04    1.25619e+03   -3.02479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78240e+03    9.30632e+04    4.03265e+05   -2.33682e+04   -2.98225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65680e+04   -2.44906e+06    4.78280e+05   -1.97077e+06    2.53830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10078e+02   -2.06969e+02    1.95867e+01    5.43212e-06


DD  step 238129999 load imb.: force 15.2%  pme mesh/force 0.732
           Step           Time
      238130000   476260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04497e+03    1.88001e+04    1.32015e+04    1.15393e+03   -3.10003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81945e+03    9.28477e+04    3.99971e+05   -2.34173e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61615e+04   -2.44897e+06    4.79810e+05   -1.96916e+06    2.53834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.07837e+02   -1.43353e+01    5.58623e-06


DD  step 238134999 load imb.: force 17.2%  pme mesh/force 0.758
           Step           Time
      238135000   476270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87624e+03    1.93367e+04    1.31816e+04    1.27602e+03   -3.10009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95884e+03    9.28872e+04    3.98933e+05   -2.34074e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63308e+04   -2.44618e+06    4.80486e+05   -1.96570e+06    2.53841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11507e+02   -2.07661e+02   -2.39100e+01    5.54319e-06


DD  step 238139999 load imb.: force 15.1%  pme mesh/force 0.719
           Step           Time
      238140000   476280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83438e+03    1.96497e+04    1.33229e+04    1.10357e+03   -3.02195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79862e+03    9.28234e+04    4.01442e+05   -2.33749e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62737e+04   -2.44799e+06    4.80934e+05   -1.96705e+06    2.53846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11798e+02   -2.07086e+02    3.44101e+01    5.74412e-06


DD  step 238144999 load imb.: force 17.0%  pme mesh/force 0.775
           Step           Time
      238145000   476290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07612e+03    1.98801e+04    1.31032e+04    1.13977e+03   -3.18860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66387e+03    9.24540e+04    3.98981e+05   -2.33711e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66020e+04   -2.44545e+06    4.81015e+05   -1.96444e+06    2.53852e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11850e+02   -2.07019e+02   -6.87509e+01    5.74746e-06


DD  step 238149999 load imb.: force 15.2%  pme mesh/force 0.734
           Step           Time
      238150000   476300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08511e+03    1.96904e+04    1.30338e+04    1.12032e+03   -3.16321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76371e+03    9.26164e+04    4.03379e+05   -2.34186e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64680e+04   -2.44688e+06    4.80773e+05   -1.96610e+06    2.53858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11694e+02   -2.07861e+02    1.35644e+02    5.69087e-06


DD  step 238154999 load imb.: force 17.0%  pme mesh/force 0.744
           Step           Time
      238155000   476310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09815e+03    1.94674e+04    1.33165e+04    1.17804e+03   -3.11335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91957e+03    9.32798e+04    3.99892e+05   -2.33568e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66387e+04   -2.44570e+06    4.81056e+05   -1.96465e+06    2.53863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11877e+02   -2.06766e+02    2.57361e+01    5.73957e-06


DD  step 238159999 load imb.: force 15.5%  pme mesh/force 0.753
           Step           Time
      238160000   476320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06431e+03    1.96757e+04    1.29933e+04    1.16582e+03   -3.06256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86572e+03    9.29454e+04    3.98489e+05   -2.33445e+04   -2.97329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67279e+04   -2.44477e+06    4.79402e+05   -1.96537e+06    2.53869e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.06549e+02   -4.24896e+01    5.61180e-06


DD  step 238164999 load imb.: force 17.1%  pme mesh/force 0.733
           Step           Time
      238165000   476330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01091e+03    1.95509e+04    1.30872e+04    1.20753e+03   -3.15761e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79232e+03    9.32286e+04    4.01235e+05   -2.34017e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65800e+04   -2.44756e+06    4.78778e+05   -1.96879e+06    2.53875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10401e+02   -2.07561e+02    1.62781e+01    5.68353e-06


DD  step 238169999 load imb.: force 15.6%  pme mesh/force 0.734
           Step           Time
      238170000   476340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11399e+03    1.94443e+04    1.32883e+04    1.16444e+03   -3.09775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87442e+03    9.31336e+04    4.03292e+05   -2.33430e+04   -2.98021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62358e+04   -2.44710e+06    4.80405e+05   -1.96670e+06    2.53881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11455e+02   -2.06523e+02    8.95963e+00    5.72067e-06


DD  step 238174999 load imb.: force 16.2%  pme mesh/force 0.761
           Step           Time
      238175000   476350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96846e+03    1.89725e+04    1.30511e+04    1.09758e+03   -2.98626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73669e+03    9.31318e+04    3.99581e+05   -2.34207e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63884e+04   -2.44951e+06    4.80225e+05   -1.96928e+06    2.53887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11338e+02   -2.07899e+02   -4.10085e+01    5.67910e-06


DD  step 238179999 load imb.: force 17.3%  pme mesh/force 0.753
           Step           Time
      238180000   476360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07886e+03    1.92318e+04    1.30859e+04    1.26295e+03   -2.99552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84952e+03    9.25516e+04    4.00853e+05   -2.34145e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64903e+04   -2.44976e+06    4.80189e+05   -1.96957e+06    2.53893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.07788e+02   -4.07512e+01    5.65012e-06


DD  step 238184999 load imb.: force 18.9%  pme mesh/force 0.776
           Step           Time
      238185000   476370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34213e+03    1.94592e+04    1.31536e+04    1.12462e+03   -3.21911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87586e+03    9.23215e+04    4.00438e+05   -2.33440e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62311e+04   -2.44666e+06    4.80745e+05   -1.96591e+06    2.53898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11675e+02   -2.06541e+02    1.10039e+01    5.59684e-06


DD  step 238189999 load imb.: force 18.2%  pme mesh/force 0.746
           Step           Time
      238190000   476380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12757e+03    1.92927e+04    1.32317e+04    1.13872e+03   -3.10263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85634e+03    9.29285e+04    3.99851e+05   -2.33830e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64237e+04   -2.44870e+06    4.78172e+05   -1.97053e+06    2.53904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10007e+02   -2.07231e+02   -6.19484e+01    5.67273e-06


DD  step 238194999 load imb.: force 16.5%  pme mesh/force 0.766
           Step           Time
      238195000   476390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11114e+03    1.96791e+04    1.31011e+04    1.14203e+03   -3.19114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70564e+03    9.26061e+04    4.00319e+05   -2.33837e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63930e+04   -2.44709e+06    4.80445e+05   -1.96664e+06    2.53910e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11481e+02   -2.07243e+02   -1.63579e+01    5.73307e-06


DD  step 238199999 load imb.: force 17.8%  pme mesh/force 0.781
           Step           Time
      238200000   476400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99224e+03    1.92014e+04    1.30806e+04    1.13079e+03   -3.19747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93596e+03    9.26237e+04    3.99948e+05   -2.33640e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64236e+04   -2.44926e+06    4.77292e+05   -1.97197e+06    2.53916e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09437e+02   -2.06894e+02   -2.70198e+01    5.70790e-06


DD  step 238204999 load imb.: force 19.9%  pme mesh/force 0.773
           Step           Time
      238205000   476410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90245e+03    1.92064e+04    1.33341e+04    1.16978e+03   -3.08490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88680e+03    9.30911e+04    4.01921e+05   -2.34099e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61773e+04   -2.44549e+06    4.80207e+05   -1.96529e+06    2.53921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11327e+02   -2.07706e+02    9.96002e+01    5.59355e-06


DD  step 238209999 load imb.: force 16.3%  pme mesh/force 0.752
           Step           Time
      238210000   476420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38406e+03    1.93462e+04    1.29318e+04    1.22969e+03   -3.17411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75089e+03    9.25503e+04    3.99388e+05   -2.33484e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64249e+04   -2.44843e+06    4.78669e+05   -1.96976e+06    2.53927e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10330e+02   -2.06618e+02   -1.31515e+02    5.65129e-06


DD  step 238214999 load imb.: force 18.5%  pme mesh/force 0.780
           Step           Time
      238215000   476430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97642e+03    1.92893e+04    1.31379e+04    1.17480e+03   -3.09636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90896e+03    9.32098e+04    3.97580e+05   -2.33793e+04   -2.97416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67457e+04   -2.44661e+06    4.80008e+05   -1.96660e+06    2.53933e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11198e+02   -2.07164e+02   -1.19417e+02    5.63590e-06


DD  step 238219999 load imb.: force 17.1%  pme mesh/force 0.750
           Step           Time
      238220000   476440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00879e+03    1.96240e+04    1.32295e+04    1.23339e+03   -3.06555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83221e+03    9.23978e+04    3.99404e+05   -2.33787e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65656e+04   -2.44667e+06    4.82080e+05   -1.96459e+06    2.53939e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12541e+02   -2.07154e+02   -1.53492e+01    5.70046e-06


DD  step 238224999 load imb.: force 16.0%  pme mesh/force 0.783
           Step           Time
      238225000   476450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97559e+03    1.97677e+04    1.30457e+04    1.20371e+03   -3.13053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91356e+03    9.23474e+04    4.02251e+05   -2.33627e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64212e+04   -2.44478e+06    4.80746e+05   -1.96403e+06    2.53944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11676e+02   -2.06871e+02    5.28938e+01    5.76301e-06


DD  step 238229999 load imb.: force 18.1%  pme mesh/force 0.763
           Step           Time
      238230000   476460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97915e+03    1.95539e+04    1.32525e+04    1.10943e+03   -3.14793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98251e+03    9.25572e+04    4.00838e+05   -2.34060e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64068e+04   -2.44675e+06    4.81346e+05   -1.96541e+06    2.53950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.07637e+02    5.64878e+01    5.70011e-06


DD  step 238234999 load imb.: force 17.1%  pme mesh/force 0.748
           Step           Time
      238235000   476470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94774e+03    1.96052e+04    1.29780e+04    1.15362e+03   -3.11397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79382e+03    9.23762e+04    3.99884e+05   -2.33709e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65890e+04   -2.44537e+06    4.78075e+05   -1.96730e+06    2.53956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09944e+02   -2.07017e+02   -1.86481e+01    5.57968e-06


DD  step 238239999 load imb.: force 15.0%  pme mesh/force 0.737
           Step           Time
      238240000   476480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95183e+03    2.00234e+04    1.32739e+04    1.26358e+03   -3.10420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71467e+03    9.27409e+04    4.01993e+05   -2.33993e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63090e+04   -2.44581e+06    4.80287e+05   -1.96552e+06    2.53962e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.07519e+02    4.62666e+00    5.58837e-06


DD  step 238244999 load imb.: force 16.7%  pme mesh/force 0.751
           Step           Time
      238245000   476490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12006e+03    1.92508e+04    1.28735e+04    1.16815e+03   -3.02655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72637e+03    9.30703e+04    3.98856e+05   -2.33729e+04   -2.97597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63775e+04   -2.44792e+06    4.79486e+05   -1.96844e+06    2.53967e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.07051e+02   -1.05187e+02    5.60035e-06


DD  step 238249999 load imb.: force 16.4%  pme mesh/force 0.755
           Step           Time
      238250000   476500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85651e+03    1.94599e+04    1.31242e+04    1.15100e+03   -3.04615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92225e+03    9.29510e+04    4.00099e+05   -2.33964e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65298e+04   -2.45027e+06    4.80009e+05   -1.97026e+06    2.53973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.07467e+02    2.59433e+01    5.74391e-06


DD  step 238254999 load imb.: force 16.8%  pme mesh/force 0.738
           Step           Time
      238255000   476510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04682e+03    1.94907e+04    1.30910e+04    1.14433e+03   -3.09231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94741e+03    9.31044e+04    3.99983e+05   -2.33808e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65438e+04   -2.44560e+06    4.79636e+05   -1.96596e+06    2.53979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10957e+02   -2.07192e+02    2.29439e+01    5.64515e-06


DD  step 238259999 load imb.: force 18.9%  pme mesh/force 0.743
           Step           Time
      238260000   476520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10656e+03    1.94757e+04    1.30148e+04    1.25478e+03   -3.00158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82289e+03    9.28286e+04    4.00232e+05   -2.33219e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64747e+04   -2.44746e+06    4.79382e+05   -1.96808e+06    2.53985e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10792e+02   -2.06150e+02   -3.46414e+01    5.63928e-06


DD  step 238264999 load imb.: force 19.7%  pme mesh/force 0.767
           Step           Time
      238265000   476530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05760e+03    1.93457e+04    1.32630e+04    1.22632e+03   -3.00971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92263e+03    9.30219e+04    3.99888e+05   -2.33581e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66045e+04   -2.44584e+06    4.80230e+05   -1.96561e+06    2.53990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.06790e+02   -5.69815e+00    5.63875e-06


DD  step 238269999 load imb.: force 16.1%  pme mesh/force 0.726
           Step           Time
      238270000   476540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03763e+03    1.92895e+04    1.31711e+04    1.21899e+03   -3.00365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98071e+03    9.25776e+04    4.00285e+05   -2.33615e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64338e+04   -2.44712e+06    4.80218e+05   -1.96690e+06    2.53996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11334e+02   -2.06850e+02    4.84628e+01    5.66235e-06


DD  step 238274999 load imb.: force 15.8%  pme mesh/force 0.729
           Step           Time
      238275000   476550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06453e+03    1.97535e+04    1.31996e+04    1.20398e+03   -3.05146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85801e+03    9.27141e+04    3.99623e+05   -2.33657e+04   -2.97405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65894e+04   -2.44446e+06    4.79408e+05   -1.96505e+06    2.54002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10809e+02   -2.06924e+02    3.35981e+01    5.69161e-06


DD  step 238279999 load imb.: force 18.2%  pme mesh/force 0.737
           Step           Time
      238280000   476560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92120e+03    1.98971e+04    1.32437e+04    1.20912e+03   -3.09008e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80566e+03    9.28127e+04    4.01641e+05   -2.33684e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66140e+04   -2.44591e+06    4.78827e+05   -1.96708e+06    2.54008e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10432e+02   -2.06972e+02    6.38488e+01    5.54163e-06


DD  step 238284999 load imb.: force 16.6%  pme mesh/force 0.747
           Step           Time
      238285000   476570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08128e+03    1.95946e+04    1.31716e+04    1.19301e+03   -3.12293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62855e+03    9.20994e+04    4.01510e+05   -2.34162e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65087e+04   -2.44836e+06    4.79283e+05   -1.96908e+06    2.54013e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10728e+02   -2.07818e+02   -1.78840e+01    5.61356e-06


DD  step 238289999 load imb.: force 17.2%  pme mesh/force 0.737
           Step           Time
      238290000   476580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18866e+03    1.94966e+04    1.30339e+04    1.10492e+03   -3.02631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76947e+03    9.25334e+04    4.00044e+05   -2.33642e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61891e+04   -2.44656e+06    4.79683e+05   -1.96688e+06    2.54019e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.06898e+02   -1.07257e+00    5.74479e-06


DD  step 238294999 load imb.: force 16.8%  pme mesh/force 0.730
           Step           Time
      238295000   476590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90114e+03    1.91977e+04    1.32806e+04    1.13648e+03   -3.10431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93762e+03    9.28914e+04    3.97381e+05   -2.33986e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67558e+04   -2.44710e+06    4.77531e+05   -1.96957e+06    2.54025e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09592e+02   -2.07507e+02   -1.81903e+01    5.70732e-06


DD  step 238299999 load imb.: force 15.8%  pme mesh/force 0.744
           Step           Time
      238300000   476600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72886e+03    1.90671e+04    1.33269e+04    1.14673e+03   -3.08694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91784e+03    9.30583e+04    4.00132e+05   -2.33781e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65636e+04   -2.44714e+06    4.78745e+05   -1.96839e+06    2.54030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10379e+02   -2.07143e+02   -1.98314e+01    5.68651e-06


DD  step 238304999 load imb.: force 15.7%  pme mesh/force 0.752
           Step           Time
      238305000   476610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79630e+03    1.91973e+04    1.33632e+04    1.17117e+03   -3.18521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73967e+03    9.28204e+04    4.00070e+05   -2.33721e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63536e+04   -2.44961e+06    4.79151e+05   -1.97046e+06    2.54036e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10642e+02   -2.07037e+02   -5.04958e+01    5.54911e-06


DD  step 238309999 load imb.: force 18.3%  pme mesh/force 0.752
           Step           Time
      238310000   476620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11206e+03    1.96252e+04    1.30209e+04    1.15584e+03   -3.10010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81598e+03    9.24786e+04    4.02081e+05   -2.33813e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64446e+04   -2.44595e+06    4.79866e+05   -1.96608e+06    2.54042e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11106e+02   -2.07201e+02    7.96109e+00    5.72742e-06


DD  step 238314999 load imb.: force 16.5%  pme mesh/force 0.721
           Step           Time
      238315000   476630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90394e+03    1.95217e+04    1.30581e+04    1.19034e+03   -3.07990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78773e+03    9.30030e+04    4.00985e+05   -2.33539e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64778e+04   -2.44639e+06    4.77896e+05   -1.96849e+06    2.54048e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09829e+02   -2.06714e+02   -2.80071e+01    5.57428e-06


DD  step 238319999 load imb.: force 16.5%  pme mesh/force 0.743
           Step           Time
      238320000   476640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13987e+03    1.94588e+04    1.30118e+04    1.18807e+03   -2.92262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96398e+03    9.33902e+04    4.01277e+05   -2.33804e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65223e+04   -2.44685e+06    4.78421e+05   -1.96843e+06    2.54054e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10169e+02   -2.07183e+02    1.16802e+01    5.68773e-06


DD  step 238324999 load imb.: force 18.5%  pme mesh/force 0.735
           Step           Time
      238325000   476650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90608e+03    1.98370e+04    1.34095e+04    1.16355e+03   -3.12519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68147e+03    9.31825e+04    3.98766e+05   -2.33361e+04   -2.97440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64503e+04   -2.44546e+06    4.80769e+05   -1.96469e+06    2.54059e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11691e+02   -2.06400e+02   -7.70553e+01    5.56240e-06


DD  step 238329999 load imb.: force 16.8%  pme mesh/force 0.743
           Step           Time
      238330000   476660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20233e+03    1.96528e+04    1.31072e+04    1.17088e+03   -3.12214e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71954e+03    9.23650e+04    4.00028e+05   -2.34211e+04   -2.97667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65053e+04   -2.44747e+06    4.80524e+05   -1.96694e+06    2.54065e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11532e+02   -2.07905e+02   -4.67995e+01    5.70797e-06


DD  step 238334999 load imb.: force 16.2%  pme mesh/force 0.720
           Step           Time
      238335000   476670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97732e+03    1.93373e+04    1.32597e+04    1.17512e+03   -3.20515e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88833e+03    9.27984e+04    3.99962e+05   -2.34201e+04   -2.97745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64975e+04   -2.44818e+06    4.81365e+05   -1.96681e+06    2.54070e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12078e+02   -2.07887e+02    6.72177e+00    5.75092e-06


DD  step 238339999 load imb.: force 16.6%  pme mesh/force 0.732
           Step           Time
      238340000   476680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54949e+03    1.96912e+04    1.31982e+04    1.16169e+03   -3.09950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80594e+03    9.25634e+04    3.98734e+05   -2.33889e+04   -2.97375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63553e+04   -2.44618e+06    4.80294e+05   -1.96588e+06    2.54076e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.07334e+02    1.06712e+00    5.63644e-06


DD  step 238344999 load imb.: force 19.1%  pme mesh/force 0.748
           Step           Time
      238345000   476690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84225e+03    1.94070e+04    1.31201e+04    1.22488e+03   -3.03076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85702e+03    9.27837e+04    4.01524e+05   -2.33802e+04   -2.97794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67211e+04   -2.44687e+06    4.78421e+05   -1.96845e+06    2.54082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10169e+02   -2.07181e+02    4.63638e+01    5.63504e-06


DD  step 238349999 load imb.: force 15.8%  pme mesh/force 0.787
           Step           Time
      238350000   476700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04117e+03    1.98299e+04    1.28171e+04    1.17656e+03   -3.00128e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75701e+03    9.27290e+04    4.02773e+05   -2.33701e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65952e+04   -2.44848e+06    4.81056e+05   -1.96742e+06    2.54088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11877e+02   -2.07002e+02    1.55314e+01    5.76570e-06


DD  step 238354999 load imb.: force 18.5%  pme mesh/force 0.729
           Step           Time
      238355000   476710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84546e+03    1.97598e+04    1.32261e+04    1.18739e+03   -3.13528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79984e+03    9.24947e+04    4.01878e+05   -2.33768e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66197e+04   -2.44575e+06    4.82250e+05   -1.96350e+06    2.54093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12651e+02   -2.07120e+02    1.52215e+01    5.58534e-06


DD  step 238359999 load imb.: force 16.9%  pme mesh/force 0.744
           Step           Time
      238360000   476720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05854e+03    1.92960e+04    1.32056e+04    1.18378e+03   -3.13778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69397e+03    9.24921e+04    4.00524e+05   -2.33695e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65343e+04   -2.44798e+06    4.80638e+05   -1.96735e+06    2.54099e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11606e+02   -2.06991e+02   -4.01807e+01    5.67849e-06


DD  step 238364999 load imb.: force 17.2%  pme mesh/force 0.764
           Step           Time
      238365000   476730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01327e+03    1.98463e+04    1.32086e+04    1.30901e+03   -3.20574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72927e+03    9.26114e+04    3.99437e+05   -2.33714e+04   -2.97308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66647e+04   -2.44384e+06    4.80913e+05   -1.96293e+06    2.54105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11785e+02   -2.07025e+02    2.79287e+01    5.77277e-06


DD  step 238369999 load imb.: force 17.9%  pme mesh/force 0.746
           Step           Time
      238370000   476740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16889e+03    2.01307e+04    1.32451e+04    1.22387e+03   -2.95112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75942e+03    9.19978e+04    3.97288e+05   -2.34204e+04   -2.96926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64798e+04   -2.44234e+06    4.81364e+05   -1.96097e+06    2.54111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12077e+02   -2.07893e+02   -4.20395e+01    5.57143e-06


DD  step 238374999 load imb.: force 18.9%  pme mesh/force 0.751
           Step           Time
      238375000   476750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97894e+03    1.91397e+04    1.31228e+04    1.17534e+03   -3.00780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92945e+03    9.27007e+04    4.00253e+05   -2.33526e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64738e+04   -2.44477e+06    4.79250e+05   -1.96552e+06    2.54116e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10706e+02   -2.06692e+02    6.01087e+01    5.75678e-06


DD  step 238379999 load imb.: force 16.9%  pme mesh/force 0.729
           Step           Time
      238380000   476760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23232e+03    1.97007e+04    1.29311e+04    1.14590e+03   -3.05901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90896e+03    9.26846e+04    4.00375e+05   -2.33545e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65995e+04   -2.44402e+06    4.78881e+05   -1.96514e+06    2.54122e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.06725e+02   -3.89238e+01    5.51036e-06


DD  step 238384999 load imb.: force 17.4%  pme mesh/force 0.751
           Step           Time
      238385000   476770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09105e+03    1.96314e+04    1.33112e+04    1.24053e+03   -3.18629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82664e+03    9.26884e+04    4.02023e+05   -2.34121e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66307e+04   -2.44588e+06    4.80006e+05   -1.96588e+06    2.54128e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.07745e+02    6.27050e+01    5.68179e-06


DD  step 238389999 load imb.: force 15.5%  pme mesh/force 0.724
           Step           Time
      238390000   476780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01014e+03    1.92197e+04    1.30199e+04    1.24634e+03   -3.12046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85692e+03    9.27717e+04    4.00771e+05   -2.33821e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66475e+04   -2.44695e+06    4.79597e+05   -1.96736e+06    2.54134e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10932e+02   -2.07214e+02    5.01987e+01    5.67654e-06


DD  step 238394999 load imb.: force 17.1%  pme mesh/force 0.741
           Step           Time
      238395000   476790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99513e+03    1.95356e+04    1.32205e+04    1.21640e+03   -3.07229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86693e+03    9.27021e+04    4.00178e+05   -2.33985e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66270e+04   -2.44554e+06    4.80780e+05   -1.96476e+06    2.54140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11698e+02   -2.07505e+02    1.23595e+01    5.64349e-06


DD  step 238399999 load imb.: force 18.8%  pme mesh/force 0.747
           Step           Time
      238400000   476800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89441e+03    1.91622e+04    1.30432e+04    1.09404e+03   -3.09320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80609e+03    9.25719e+04    4.00890e+05   -2.33837e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63425e+04   -2.45008e+06    4.76678e+05   -1.97340e+06    2.54145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09039e+02   -2.07242e+02   -4.23792e+01    5.80212e-06


DD  step 238404999 load imb.: force 16.4%  pme mesh/force 0.723
           Step           Time
      238405000   476810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98211e+03    1.93607e+04    1.32023e+04    1.28669e+03   -3.12173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81750e+03    9.22203e+04    3.97778e+05   -2.33535e+04   -2.97082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64901e+04   -2.44416e+06    4.79196e+05   -1.96496e+06    2.54151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10672e+02   -2.06708e+02   -6.67852e+01    5.43694e-06


DD  step 238409999 load imb.: force 18.2%  pme mesh/force 0.757
           Step           Time
      238410000   476820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01158e+03    1.95822e+04    1.31023e+04    1.18494e+03   -2.96993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80100e+03    9.23003e+04    4.00824e+05   -2.33736e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67097e+04   -2.44745e+06    4.77958e+05   -1.96949e+06    2.54157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09869e+02   -2.07064e+02   -3.42830e+01    5.66929e-06


DD  step 238414999 load imb.: force 18.8%  pme mesh/force 0.748
           Step           Time
      238415000   476830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06524e+03    1.94404e+04    1.29873e+04    1.25914e+03   -2.96781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84962e+03    9.28387e+04    4.01407e+05   -2.33847e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63167e+04   -2.44707e+06    4.78429e+05   -1.96864e+06    2.54163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10174e+02   -2.07260e+02    5.25747e+01    5.65602e-06


DD  step 238419999 load imb.: force 17.2%  pme mesh/force 0.750
           Step           Time
      238420000   476840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85418e+03    1.92077e+04    1.31273e+04    1.21071e+03   -3.11321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81388e+03    9.20531e+04    4.01805e+05   -2.34126e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63367e+04   -2.45183e+06    4.80156e+05   -1.97167e+06    2.54168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11294e+02   -2.07755e+02    3.53106e+01    5.52778e-06


DD  step 238424999 load imb.: force 17.8%  pme mesh/force 0.769
           Step           Time
      238425000   476850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17025e+03    1.93717e+04    1.31322e+04    1.20678e+03   -3.08962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75557e+03    9.23385e+04    4.00041e+05   -2.34107e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63887e+04   -2.44763e+06    4.79617e+05   -1.96801e+06    2.54174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.07721e+02   -3.67938e+01    5.59008e-06

Writing checkpoint, step 238426550 at Wed Nov  8 09:16:28 2023



DD  step 238429999 load imb.: force 17.7%  pme mesh/force 0.733
           Step           Time
      238430000   476860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85849e+03    1.93698e+04    1.32230e+04    1.15614e+03   -3.19257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85156e+03    9.25770e+04    4.00980e+05   -2.33724e+04   -2.98044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64263e+04   -2.45056e+06    4.79101e+05   -1.97146e+06    2.54180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10610e+02   -2.07043e+02   -4.63079e+01    5.77422e-06


DD  step 238434999 load imb.: force 17.9%  pme mesh/force 0.743
           Step           Time
      238435000   476870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98440e+03    1.93917e+04    1.34644e+04    1.23303e+03   -3.07962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94562e+03    9.26530e+04    4.00694e+05   -2.34221e+04   -2.97784e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65257e+04   -2.44745e+06    4.81837e+05   -1.96561e+06    2.54186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12384e+02   -2.07923e+02    1.54100e+01    5.48033e-06


DD  step 238439999 load imb.: force 17.5%  pme mesh/force 0.747
           Step           Time
      238440000   476880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06812e+03    2.00403e+04    1.31700e+04    1.15929e+03   -3.13979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88589e+03    9.23946e+04    3.97582e+05   -2.33716e+04   -2.97323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63380e+04   -2.44610e+06    4.81033e+05   -1.96507e+06    2.54192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11862e+02   -2.07028e+02   -8.09952e+01    5.50771e-06


DD  step 238444999 load imb.: force 17.4%  pme mesh/force 0.733
           Step           Time
      238445000   476890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96114e+03    1.97667e+04    1.31203e+04    1.17840e+03   -3.07532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81920e+03    9.23069e+04    3.99253e+05   -2.33284e+04   -2.97348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65147e+04   -2.44496e+06    4.78961e+05   -1.96600e+06    2.54197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.06265e+02   -5.23631e+01    5.61409e-06


DD  step 238449999 load imb.: force 16.8%  pme mesh/force 0.740
           Step           Time
      238450000   476900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02838e+03    1.96133e+04    1.32174e+04    1.07436e+03   -3.16111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84950e+03    9.25301e+04    4.02092e+05   -2.33956e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63651e+04   -2.44786e+06    4.80838e+05   -1.96702e+06    2.54203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.07453e+02    7.44762e+01    5.74189e-06


DD  step 238454999 load imb.: force 16.4%  pme mesh/force 0.734
           Step           Time
      238455000   476910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06086e+03    1.94890e+04    1.31560e+04    1.12605e+03   -3.17035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65081e+03    9.27156e+04    4.00979e+05   -2.33604e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66823e+04   -2.44388e+06    4.80096e+05   -1.96379e+06    2.54209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11255e+02   -2.06831e+02    5.06544e+01    5.60339e-06


DD  step 238459999 load imb.: force 16.1%  pme mesh/force 0.724
           Step           Time
      238460000   476920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.54091e+03    1.94365e+04    1.28753e+04    1.21154e+03   -3.08559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90098e+03    9.27218e+04    4.00560e+05   -2.34065e+04   -2.98085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63651e+04   -2.45173e+06    4.79865e+05   -1.97187e+06    2.54215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11105e+02   -2.07646e+02   -2.65959e+01    5.78056e-06


DD  step 238464999 load imb.: force 15.3%  pme mesh/force 0.729
           Step           Time
      238465000   476930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05984e+03    1.98408e+04    1.32416e+04    1.11202e+03   -3.17923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84951e+03    9.28365e+04    3.99520e+05   -2.33733e+04   -2.97527e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63907e+04   -2.44597e+06    4.81598e+05   -1.96437e+06    2.54220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12229e+02   -2.07059e+02   -2.52283e+01    5.73221e-06


DD  step 238469999 load imb.: force 17.4%  pme mesh/force 0.751
           Step           Time
      238470000   476940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79309e+03    1.93056e+04    1.31094e+04    1.22414e+03   -3.07076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96238e+03    9.29495e+04    3.98881e+05   -2.34205e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66021e+04   -2.44516e+06    4.78806e+05   -1.96636e+06    2.54226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10418e+02   -2.07895e+02    2.96218e+01    5.67705e-06


DD  step 238474999 load imb.: force 17.1%  pme mesh/force 0.763
           Step           Time
      238475000   476950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16006e+03    1.95208e+04    1.31025e+04    1.20114e+03   -3.17984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82790e+03    9.26921e+04    4.02442e+05   -2.33772e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65023e+04   -2.44730e+06    4.80166e+05   -1.96714e+06    2.54232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11300e+02   -2.07128e+02    5.07063e+01    5.71946e-06


DD  step 238479999 load imb.: force 17.4%  pme mesh/force 0.771
           Step           Time
      238480000   476960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14134e+03    1.93782e+04    1.31639e+04    1.23326e+03   -2.94518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79293e+03    9.28927e+04    3.99614e+05   -2.33927e+04   -2.97295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63804e+04   -2.44370e+06    4.80584e+05   -1.96311e+06    2.54238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11571e+02   -2.07403e+02    1.31167e+01    5.79601e-06


DD  step 238484999 load imb.: force 18.2%  pme mesh/force 0.760
           Step           Time
      238485000   476970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76484e+03    1.95585e+04    1.31039e+04    1.16830e+03   -3.05593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90111e+03    9.31936e+04    4.00793e+05   -2.34150e+04   -2.97896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44856e+06    4.78461e+05   -1.97010e+06    2.54244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10195e+02   -2.07797e+02    6.92853e+01    5.61158e-06


DD  step 238489999 load imb.: force 18.3%  pme mesh/force 0.745
           Step           Time
      238490000   476980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93855e+03    1.95703e+04    1.29282e+04    1.09707e+03   -3.04930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69655e+03    9.26645e+04    4.00245e+05   -2.34301e+04   -2.97958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64027e+04   -2.45052e+06    4.79283e+05   -1.97124e+06    2.54249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10728e+02   -2.08065e+02   -9.15875e+00    5.69793e-06


DD  step 238494999 load imb.: force 15.7%  pme mesh/force 0.729
           Step           Time
      238495000   476990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05581e+03    1.91933e+04    1.31591e+04    1.17268e+03   -3.09523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89913e+03    9.30736e+04    3.99023e+05   -2.33930e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64241e+04   -2.44670e+06    4.78687e+05   -1.96802e+06    2.54255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10341e+02   -2.07408e+02   -5.92312e+01    5.69160e-06


DD  step 238499999 load imb.: force 17.4%  pme mesh/force 0.732
           Step           Time
      238500000   477000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94250e+03    1.95307e+04    1.28824e+04    1.16568e+03   -2.98832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97331e+03    9.21449e+04    4.00471e+05   -2.33581e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67048e+04   -2.44764e+06    4.80319e+05   -1.96732e+06    2.54260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.06789e+02    4.40791e+00    5.70928e-06


DD  step 238504999 load imb.: force 17.5%  pme mesh/force 0.741
           Step           Time
      238505000   477010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82673e+03    1.94578e+04    1.30253e+04    1.22011e+03   -3.07159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87133e+03    9.24783e+04    4.01348e+05   -2.33640e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66558e+04   -2.44588e+06    4.80085e+05   -1.96580e+06    2.54266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11248e+02   -2.06894e+02    4.86750e+01    5.64705e-06


DD  step 238509999 load imb.: force 18.3%  pme mesh/force 0.761
           Step           Time
      238510000   477020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07326e+03    1.93213e+04    1.31430e+04    1.06439e+03   -3.12200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87133e+03    9.29368e+04    4.02327e+05   -2.33887e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64407e+04   -2.44604e+06    4.77808e+05   -1.96823e+06    2.54272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09771e+02   -2.07331e+02    5.02653e+01    5.71002e-06


DD  step 238514999 load imb.: force 16.7%  pme mesh/force 0.753
           Step           Time
      238515000   477030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07814e+03    1.94475e+04    1.30692e+04    1.19178e+03   -3.01860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80459e+03    9.22374e+04    4.00694e+05   -2.33566e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64400e+04   -2.44919e+06    4.79108e+05   -1.97008e+06    2.54278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.06763e+02   -5.37326e+01    5.62492e-06


DD  step 238519999 load imb.: force 17.5%  pme mesh/force 0.770
           Step           Time
      238520000   477040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02156e+03    1.94818e+04    1.29872e+04    1.08981e+03   -3.15034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80793e+03    9.26588e+04    4.01968e+05   -2.33542e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66117e+04   -2.44724e+06    4.80281e+05   -1.96696e+06    2.54284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.06720e+02    4.13411e+01    5.56526e-06


DD  step 238524999 load imb.: force 17.4%  pme mesh/force 0.764
           Step           Time
      238525000   477050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08095e+03    1.95966e+04    1.30983e+04    1.15822e+03   -3.07133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76848e+03    9.27172e+04    3.99001e+05   -2.34178e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66216e+04   -2.44680e+06    4.79887e+05   -1.96692e+06    2.54289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11119e+02   -2.07847e+02   -3.48173e+01    5.50996e-06


DD  step 238529999 load imb.: force 16.8%  pme mesh/force 0.703
           Step           Time
      238530000   477060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14206e+03    1.95493e+04    1.29792e+04    1.24019e+03   -2.94059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75808e+03    9.20637e+04    4.01301e+05   -2.33784e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65938e+04   -2.44548e+06    4.80646e+05   -1.96483e+06    2.54295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.07149e+02    7.02946e+01    5.61837e-06


DD  step 238534999 load imb.: force 16.5%  pme mesh/force 0.731
           Step           Time
      238535000   477070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12517e+03    1.98349e+04    1.31403e+04    1.16849e+03   -3.19749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67182e+03    9.24262e+04    3.97286e+05   -2.33604e+04   -2.97080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64886e+04   -2.44422e+06    4.80682e+05   -1.96353e+06    2.54301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11635e+02   -2.06830e+02   -1.32192e+02    5.73232e-06


DD  step 238539999 load imb.: force 16.8%  pme mesh/force 0.736
           Step           Time
      238540000   477080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01731e+03    1.98378e+04    1.29399e+04    1.25748e+03   -3.02935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79238e+03    9.27594e+04    3.98808e+05   -2.33637e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66642e+04   -2.44685e+06    4.79352e+05   -1.96750e+06    2.54307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.06889e+02   -6.95222e+01    5.59553e-06


DD  step 238544999 load imb.: force 17.3%  pme mesh/force 0.746
           Step           Time
      238545000   477090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.41260e+03    1.92171e+04    1.30859e+04    1.16578e+03   -3.06793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94362e+03    9.25438e+04    4.00685e+05   -2.33472e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67055e+04   -2.44532e+06    4.80848e+05   -1.96447e+06    2.54312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.06596e+02    6.45096e+00    5.57636e-06


DD  step 238549999 load imb.: force 16.1%  pme mesh/force 0.739
           Step           Time
      238550000   477100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85831e+03    1.95665e+04    1.30700e+04    1.19023e+03   -3.02365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87010e+03    9.26305e+04    4.02769e+05   -2.33721e+04   -2.97979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64196e+04   -2.44781e+06    4.78277e+05   -1.96954e+06    2.54318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10076e+02   -2.07037e+02    6.64683e+01    5.61935e-06


DD  step 238554999 load imb.: force 17.3%  pme mesh/force 0.730
           Step           Time
      238555000   477110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96700e+03    1.96100e+04    1.30683e+04    1.24283e+03   -3.09495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85390e+03    9.29301e+04    4.00757e+05   -2.33690e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64707e+04   -2.44493e+06    4.78025e+05   -1.96690e+06    2.54324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09912e+02   -2.06982e+02    4.15567e+01    5.67039e-06


DD  step 238559999 load imb.: force 18.0%  pme mesh/force 0.757
           Step           Time
      238560000   477120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07787e+03    1.98132e+04    1.29826e+04    1.19370e+03   -3.09168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82080e+03    9.23343e+04    4.01556e+05   -2.33809e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64660e+04   -2.44493e+06    4.80406e+05   -1.96452e+06    2.54329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.07192e+02    6.35720e+01    5.73786e-06


DD  step 238564999 load imb.: force 17.9%  pme mesh/force 0.739
           Step           Time
      238565000   477130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90806e+03    1.96570e+04    1.32265e+04    1.14426e+03   -3.06200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86942e+03    9.24360e+04    4.01710e+05   -2.33772e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65045e+04   -2.44787e+06    4.80528e+05   -1.96734e+06    2.54335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.07128e+02    3.24166e+01    5.63195e-06


DD  step 238569999 load imb.: force 18.4%  pme mesh/force 0.747
           Step           Time
      238570000   477140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94148e+03    1.98069e+04    1.30800e+04    1.13336e+03   -3.16328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79141e+03    9.27350e+04    3.99043e+05   -2.33822e+04   -2.97251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64846e+04   -2.44404e+06    4.80872e+05   -1.96317e+06    2.54340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11758e+02   -2.07216e+02    8.34940e+00    5.63826e-06


DD  step 238574999 load imb.: force 20.4%  pme mesh/force 0.785
           Step           Time
      238575000   477150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06223e+03    1.91189e+04    1.29361e+04    1.11926e+03   -3.02779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77504e+03    9.24240e+04    4.02354e+05   -2.33850e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62730e+04   -2.44656e+06    4.80404e+05   -1.96616e+06    2.54345e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11454e+02   -2.07266e+02    5.97582e+01    5.58578e-06


DD  step 238579999 load imb.: force 19.0%  pme mesh/force 0.757
           Step           Time
      238580000   477160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76395e+03    1.90771e+04    1.30023e+04    1.10776e+03   -3.01055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92127e+03    9.25789e+04    4.01401e+05   -2.33625e+04   -2.98080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67211e+04   -2.45060e+06    4.78493e+05   -1.97211e+06    2.54351e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10215e+02   -2.06868e+02    4.81813e+00    5.60134e-06


DD  step 238584999 load imb.: force 15.0%  pme mesh/force 0.715
           Step           Time
      238585000   477170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86805e+03    1.98496e+04    1.31475e+04    1.22080e+03   -3.17373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94628e+03    9.24022e+04    4.03003e+05   -2.33927e+04   -2.97937e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65399e+04   -2.44696e+06    4.81302e+05   -1.96566e+06    2.54357e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12037e+02   -2.07401e+02    1.16739e+02    5.57803e-06


DD  step 238589999 load imb.: force 17.3%  pme mesh/force 0.710
           Step           Time
      238590000   477180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86852e+03    1.94252e+04    1.31141e+04    1.08962e+03   -3.15313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84366e+03    9.25151e+04    3.97422e+05   -2.34250e+04   -2.97363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63997e+04   -2.44753e+06    4.80891e+05   -1.96664e+06    2.54363e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11770e+02   -2.07975e+02   -3.74023e+01    5.73638e-06


DD  step 238594999 load imb.: force 15.7%  pme mesh/force 0.695
           Step           Time
      238595000   477190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28992e+03    1.95613e+04    1.32200e+04    1.09355e+03   -3.14106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89890e+03    9.21922e+04    3.97123e+05   -2.33763e+04   -2.97251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64405e+04   -2.44621e+06    4.80090e+05   -1.96612e+06    2.54369e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11251e+02   -2.07111e+02   -1.14304e+02    5.53468e-06


DD  step 238599999 load imb.: force 16.4%  pme mesh/force 0.721
           Step           Time
      238600000   477200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07813e+03    1.96226e+04    1.29821e+04    1.10780e+03   -3.02021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76307e+03    9.20329e+04    4.03240e+05   -2.34125e+04   -2.98031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65402e+04   -2.44838e+06    4.80918e+05   -1.96746e+06    2.54375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11788e+02   -2.07753e+02    1.30217e+02    5.66367e-06


DD  step 238604999 load imb.: force 18.7%  pme mesh/force 0.744
           Step           Time
      238605000   477210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05166e+03    1.98032e+04    1.31911e+04    1.24082e+03   -3.12383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70990e+03    9.21661e+04    3.99122e+05   -2.33288e+04   -2.97348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65088e+04   -2.44514e+06    4.78931e+05   -1.96621e+06    2.54380e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.06272e+02   -4.54146e+01    5.56708e-06


DD  step 238609999 load imb.: force 16.8%  pme mesh/force 0.746
           Step           Time
      238610000   477220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95631e+03    1.92829e+04    1.30268e+04    1.12901e+03   -3.08596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71758e+03    9.19073e+04    4.01331e+05   -2.34164e+04   -2.98107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63544e+04   -2.45186e+06    4.78754e+05   -1.97311e+06    2.54386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10385e+02   -2.07822e+02   -3.24861e+01    5.59056e-06


DD  step 238614999 load imb.: force 18.3%  pme mesh/force 0.767
           Step           Time
      238615000   477230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06283e+03    1.96945e+04    1.32386e+04    1.17178e+03   -3.16020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83675e+03    9.21860e+04    3.99590e+05   -2.33913e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64819e+04   -2.44674e+06    4.79622e+05   -1.96712e+06    2.54392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10947e+02   -2.07377e+02   -1.32233e+00    5.50013e-06


DD  step 238619999 load imb.: force 17.7%  pme mesh/force 0.764
           Step           Time
      238620000   477240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01865e+03    1.94161e+04    1.30599e+04    1.17041e+03   -3.11708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82524e+03    9.23208e+04    3.99262e+05   -2.32979e+04   -2.97496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63994e+04   -2.44690e+06    4.77950e+05   -1.96895e+06    2.54398e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09864e+02   -2.05726e+02   -8.68918e+01    5.73555e-06


DD  step 238624999 load imb.: force 19.7%  pme mesh/force 0.765
           Step           Time
      238625000   477250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04625e+03    1.94755e+04    1.29840e+04    1.11085e+03   -3.07258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84870e+03    9.23539e+04    3.99490e+05   -2.33789e+04   -2.97840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65037e+04   -2.45004e+06    4.80371e+05   -1.96967e+06    2.54403e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.07158e+02   -3.51403e+01    5.73020e-06


DD  step 238629999 load imb.: force 17.3%  pme mesh/force 0.721
           Step           Time
      238630000   477260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01015e+03    1.92725e+04    1.29592e+04    1.21494e+03   -3.05509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95545e+03    9.26145e+04    4.02175e+05   -2.34256e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62682e+04   -2.44710e+06    4.81532e+05   -1.96556e+06    2.54409e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12186e+02   -2.07985e+02    1.14085e+02    5.49202e-06


DD  step 238634999 load imb.: force 16.8%  pme mesh/force 0.754
           Step           Time
      238635000   477270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16147e+03    1.93936e+04    1.32366e+04    1.23605e+03   -3.18715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77203e+03    9.22926e+04    4.00158e+05   -2.34278e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62918e+04   -2.44931e+06    4.81488e+05   -1.96782e+06    2.54415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12157e+02   -2.08023e+02   -2.78503e-01    5.68694e-06


DD  step 238639999 load imb.: force 17.1%  pme mesh/force 0.748
           Step           Time
      238640000   477280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95254e+03    1.93064e+04    1.30521e+04    1.13887e+03   -3.07206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82673e+03    9.25895e+04    4.02759e+05   -2.33900e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65739e+04   -2.44750e+06    4.77688e+05   -1.96981e+06    2.54421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09694e+02   -2.07353e+02    4.28412e+01    5.68301e-06


DD  step 238644999 load imb.: force 17.9%  pme mesh/force 0.755
           Step           Time
      238645000   477290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11400e+03    1.94294e+04    1.28516e+04    1.12593e+03   -3.07518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95997e+03    9.27428e+04    4.02185e+05   -2.34068e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64812e+04   -2.44835e+06    4.79968e+05   -1.96839e+06    2.54427e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11172e+02   -2.07652e+02    9.75962e+01    5.71694e-06


DD  step 238649999 load imb.: force 16.4%  pme mesh/force 0.748
           Step           Time
      238650000   477300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93996e+03    1.99500e+04    1.32357e+04    1.11848e+03   -3.11582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73396e+03    9.25101e+04    3.98239e+05   -2.34435e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62827e+04   -2.44727e+06    4.79364e+05   -1.96791e+06    2.54433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10780e+02   -2.08302e+02   -4.82108e+01    5.69073e-06


DD  step 238654999 load imb.: force 17.2%  pme mesh/force 0.737
           Step           Time
      238655000   477310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96207e+03    1.92525e+04    1.32881e+04    1.19646e+03   -3.06634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75570e+03    9.28864e+04    4.02228e+05   -2.33506e+04   -2.98192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66179e+04   -2.45015e+06    4.81223e+05   -1.96893e+06    2.54439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11986e+02   -2.06656e+02    8.69728e+00    5.55757e-06


DD  step 238659999 load imb.: force 16.0%  pme mesh/force 0.733
           Step           Time
      238660000   477320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99223e+03    1.94565e+04    1.30832e+04    1.14218e+03   -3.00821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87662e+03    9.22554e+04    3.98860e+05   -2.33679e+04   -2.97224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64644e+04   -2.44449e+06    4.79968e+05   -1.96452e+06    2.54444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11172e+02   -2.06963e+02   -2.99392e+01    5.66980e-06


DD  step 238664999 load imb.: force 15.9%  pme mesh/force 0.748
           Step           Time
      238665000   477330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03812e+03    1.94275e+04    1.31340e+04    1.15610e+03   -3.13316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84267e+03    9.23005e+04    4.01276e+05   -2.34000e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65598e+04   -2.44844e+06    4.81010e+05   -1.96743e+06    2.54450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11848e+02   -2.07530e+02   -4.47935e+01    5.71846e-06


DD  step 238669999 load imb.: force 15.1%  pme mesh/force 0.724
           Step           Time
      238670000   477340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20957e+03    1.94341e+04    1.29578e+04    1.18218e+03   -3.06207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89940e+03    9.24462e+04    4.00676e+05   -2.34122e+04   -2.97542e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62998e+04   -2.44579e+06    4.78979e+05   -1.96681e+06    2.54456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10530e+02   -2.07747e+02    3.56678e+01    5.59725e-06


DD  step 238674999 load imb.: force 15.8%  pme mesh/force 0.719
           Step           Time
      238675000   477350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11990e+03    1.95060e+04    1.32328e+04    1.28942e+03   -3.06945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90815e+03    9.22521e+04    4.00911e+05   -2.33673e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64057e+04   -2.44535e+06    4.80030e+05   -1.96532e+06    2.54462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11212e+02   -2.06951e+02   -4.59692e+00    5.68159e-06


DD  step 238679999 load imb.: force 17.0%  pme mesh/force 0.723
           Step           Time
      238680000   477360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95162e+03    1.96198e+04    1.30841e+04    1.24841e+03   -2.99623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88663e+03    9.21646e+04    4.00062e+05   -2.34174e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63159e+04   -2.44607e+06    4.79530e+05   -1.96654e+06    2.54468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10888e+02   -2.07839e+02    7.93815e+01    5.64426e-06


DD  step 238684999 load imb.: force 16.0%  pme mesh/force 0.736
           Step           Time
      238685000   477370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98812e+03    1.93148e+04    1.31906e+04    1.24891e+03   -2.93618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85684e+03    9.24594e+04    4.00197e+05   -2.34095e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66781e+04   -2.44611e+06    4.79664e+05   -1.96645e+06    2.54473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10974e+02   -2.07700e+02    2.09097e+00    5.66453e-06


DD  step 238689999 load imb.: force 19.7%  pme mesh/force 0.755
           Step           Time
      238690000   477380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05060e+03    1.94004e+04    1.32564e+04    1.05429e+03   -3.08420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78525e+03    9.22018e+04    4.04468e+05   -2.33954e+04   -2.98186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61676e+04   -2.44896e+06    4.79454e+05   -1.96950e+06    2.54479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.07450e+02    6.19541e+01    5.67602e-06


DD  step 238694999 load imb.: force 17.9%  pme mesh/force 0.776
           Step           Time
      238695000   477390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97708e+03    1.94497e+04    1.30628e+04    1.16352e+03   -3.15227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71152e+03    9.24479e+04    3.98668e+05   -2.33411e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64067e+04   -2.44846e+06    4.80492e+05   -1.96797e+06    2.54484e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11512e+02   -2.06489e+02   -1.13306e+02    5.77276e-06


DD  step 238699999 load imb.: force 16.0%  pme mesh/force 0.743
           Step           Time
      238700000   477400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25085e+03    1.95394e+04    1.32443e+04    1.14056e+03   -3.14705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75866e+03    9.21366e+04    4.00327e+05   -2.33480e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64491e+04   -2.44501e+06    4.79983e+05   -1.96503e+06    2.54490e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11181e+02   -2.06611e+02    8.31985e+00    5.51182e-06


DD  step 238704999 load imb.: force 17.5%  pme mesh/force 0.778
           Step           Time
      238705000   477410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82585e+03    1.94080e+04    1.31084e+04    1.22518e+03   -3.16440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02751e+03    9.24510e+04    3.96480e+05   -2.33774e+04   -2.97021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65682e+04   -2.44466e+06    4.78723e+05   -1.96594e+06    2.54495e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10365e+02   -2.07131e+02   -3.61149e+01    5.70614e-06


DD  step 238709999 load imb.: force 17.7%  pme mesh/force 0.753
           Step           Time
      238710000   477420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10111e+03    1.92747e+04    1.31384e+04    1.19308e+03   -3.00477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79905e+03    9.24292e+04    4.03079e+05   -2.34017e+04   -2.98055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65452e+04   -2.44839e+06    4.78948e+05   -1.96944e+06    2.54502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10511e+02   -2.07561e+02    7.00385e+01    5.47188e-06


DD  step 238714999 load imb.: force 16.8%  pme mesh/force 0.743
           Step           Time
      238715000   477430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91260e+03    1.95238e+04    1.31940e+04    1.16294e+03   -2.97197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.07348e+03    9.24628e+04    3.99211e+05   -2.34029e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64646e+04   -2.44626e+06    4.80535e+05   -1.96572e+06    2.54507e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11539e+02   -2.07583e+02    1.77977e+01    5.59877e-06


DD  step 238719999 load imb.: force 16.2%  pme mesh/force 0.746
           Step           Time
      238720000   477440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07443e+03    1.96640e+04    1.31806e+04    1.17771e+03   -3.07580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.63131e+03    9.16464e+04    3.98240e+05   -2.33493e+04   -2.97327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65497e+04   -2.44653e+06    4.79744e+05   -1.96679e+06    2.54513e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11027e+02   -2.06633e+02   -1.23123e+02    5.64552e-06


DD  step 238724999 load imb.: force 17.8%  pme mesh/force 0.746
           Step           Time
      238725000   477450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86007e+03    1.90679e+04    1.30498e+04    1.17443e+03   -3.00590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95392e+03    9.24124e+04    3.99467e+05   -2.33573e+04   -2.97603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63213e+04   -2.44809e+06    4.79315e+05   -1.96877e+06    2.54519e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10749e+02   -2.06775e+02   -2.50840e+01    5.67665e-06


DD  step 238729999 load imb.: force 17.3%  pme mesh/force 0.731
           Step           Time
      238730000   477460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97096e+03    1.95181e+04    1.31604e+04    1.25736e+03   -3.00273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81818e+03    9.23898e+04    4.00318e+05   -2.33706e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65304e+04   -2.44661e+06    4.79865e+05   -1.96675e+06    2.54525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11105e+02   -2.07011e+02   -3.84055e+01    5.51628e-06


DD  step 238734999 load imb.: force 17.6%  pme mesh/force 0.767
           Step           Time
      238735000   477470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93850e+03    1.94937e+04    1.30529e+04    1.15273e+03   -3.09362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82169e+03    9.23782e+04    4.01683e+05   -2.34160e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65692e+04   -2.44756e+06    4.80029e+05   -1.96753e+06    2.54531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11211e+02   -2.07815e+02    7.68805e+01    5.63642e-06


DD  step 238739999 load imb.: force 17.1%  pme mesh/force 0.776
           Step           Time
      238740000   477480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81474e+03    1.93471e+04    1.30764e+04    1.25819e+03   -3.09477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89628e+03    9.23545e+04    4.02266e+05   -2.33769e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67128e+04   -2.44690e+06    4.78792e+05   -1.96811e+06    2.54536e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10409e+02   -2.07121e+02    2.19135e+01    5.76237e-06


DD  step 238744999 load imb.: force 17.2%  pme mesh/force 0.761
           Step           Time
      238745000   477490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34887e+03    1.95112e+04    1.31557e+04    1.16659e+03   -3.09090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66100e+03    9.22898e+04    4.03338e+05   -2.34145e+04   -2.98021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66152e+04   -2.44762e+06    4.79973e+05   -1.96765e+06    2.54542e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11175e+02   -2.07788e+02    6.02235e+01    5.71826e-06


DD  step 238749999 load imb.: force 18.3%  pme mesh/force 0.764
           Step           Time
      238750000   477500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31698e+03    1.92136e+04    1.31167e+04    1.18508e+03   -3.09336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80015e+03    9.22263e+04    3.96934e+05   -2.33409e+04   -2.97327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65460e+04   -2.44736e+06    4.79267e+05   -1.96810e+06    2.54547e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10717e+02   -2.06485e+02   -1.73339e+02    5.61123e-06


DD  step 238754999 load imb.: force 17.8%  pme mesh/force 0.767
           Step           Time
      238755000   477510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11728e+03    1.92694e+04    1.31105e+04    1.22288e+03   -3.07221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79194e+03    9.29013e+04    4.00720e+05   -2.33382e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65756e+04   -2.44507e+06    4.80004e+05   -1.96506e+06    2.54553e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11195e+02   -2.06437e+02   -3.65717e+01    5.47674e-06

Writing checkpoint, step 238757300 at Wed Nov  8 09:31:28 2023



DD  step 238759999 load imb.: force 15.8%  pme mesh/force 0.739
           Step           Time
      238760000   477520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88617e+03    1.94989e+04    1.31458e+04    1.28268e+03   -3.11382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84577e+03    9.27820e+04    3.98050e+05   -2.33806e+04   -2.97309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65684e+04   -2.44552e+06    4.77733e+05   -1.96779e+06    2.54559e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09723e+02   -2.07188e+02   -8.36526e+01    5.64971e-06


DD  step 238764999 load imb.: force 16.2%  pme mesh/force 0.723
           Step           Time
      238765000   477530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90614e+03    1.93445e+04    1.29871e+04    1.20823e+03   -3.09703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91596e+03    9.25063e+04    4.03143e+05   -2.34296e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65230e+04   -2.44819e+06    4.78350e+05   -1.96984e+06    2.54565e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10123e+02   -2.08055e+02    1.16587e+02    5.66852e-06


DD  step 238769999 load imb.: force 17.3%  pme mesh/force 0.753
           Step           Time
      238770000   477540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92921e+03    1.93903e+04    1.31182e+04    1.15987e+03   -3.05562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90323e+03    9.25461e+04    4.00283e+05   -2.33892e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65490e+04   -2.44601e+06    4.79894e+05   -1.96612e+06    2.54570e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11124e+02   -2.07340e+02    5.06452e+01    5.60239e-06


DD  step 238774999 load imb.: force 15.8%  pme mesh/force 0.735
           Step           Time
      238775000   477550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30481e+03    1.94235e+04    1.30327e+04    1.20449e+03   -3.19619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83948e+03    9.27702e+04    3.99352e+05   -2.33667e+04   -2.97317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65562e+04   -2.44425e+06    4.80517e+05   -1.96373e+06    2.54576e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11528e+02   -2.06941e+02   -4.24463e+01    5.55134e-06


DD  step 238779999 load imb.: force 19.3%  pme mesh/force 0.800
           Step           Time
      238780000   477560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14276e+03    1.95310e+04    1.30009e+04    1.15556e+03   -3.02831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79092e+03    9.24744e+04    4.01269e+05   -2.34442e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67028e+04   -2.44700e+06    4.80973e+05   -1.96603e+06    2.54582e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11823e+02   -2.08315e+02    6.47043e+01    5.46029e-06


DD  step 238784999 load imb.: force 17.0%  pme mesh/force 0.740
           Step           Time
      238785000   477570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15406e+03    1.95820e+04    1.30944e+04    1.10769e+03   -3.16277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94481e+03    9.26994e+04    4.02219e+05   -2.33808e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66495e+04   -2.44575e+06    4.77730e+05   -1.96802e+06    2.54588e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09721e+02   -2.07190e+02    8.40354e+01    5.59707e-06


DD  step 238789999 load imb.: force 17.4%  pme mesh/force 0.742
           Step           Time
      238790000   477580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18200e+03    1.90657e+04    1.30491e+04    1.15151e+03   -3.03637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88027e+03    9.27151e+04    3.99438e+05   -2.33815e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63317e+04   -2.44815e+06    4.77822e+05   -1.97033e+06    2.54593e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09780e+02   -2.07203e+02   -1.15004e+01    5.71496e-06


DD  step 238794999 load imb.: force 15.1%  pme mesh/force 0.706
           Step           Time
      238795000   477590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87217e+03    1.96387e+04    1.31304e+04    1.19978e+03   -3.04526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86779e+03    9.25488e+04    4.00235e+05   -2.34171e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64881e+04   -2.44589e+06    4.80261e+05   -1.96563e+06    2.54599e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11362e+02   -2.07833e+02    5.95674e+01    5.63032e-06


DD  step 238799999 load imb.: force 18.3%  pme mesh/force 0.760
           Step           Time
      238800000   477600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82942e+03    1.94193e+04    1.32997e+04    1.19696e+03   -3.04930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89920e+03    9.28033e+04    4.00482e+05   -2.33921e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64026e+04   -2.44673e+06    4.78960e+05   -1.96777e+06    2.54605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10518e+02   -2.07390e+02    2.98940e+01    5.66338e-06


DD  step 238804999 load imb.: force 15.3%  pme mesh/force 0.724
           Step           Time
      238805000   477610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93270e+03    1.95090e+04    1.30089e+04    1.20535e+03   -2.90719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88262e+03    9.32050e+04    3.97890e+05   -2.33395e+04   -2.97370e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67641e+04   -2.44555e+06    4.81167e+05   -1.96438e+06    2.54610e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11949e+02   -2.06461e+02   -6.78715e+01    5.70817e-06


DD  step 238809999 load imb.: force 17.0%  pme mesh/force 0.732
           Step           Time
      238810000   477620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85098e+03    1.97797e+04    1.30832e+04    1.16274e+03   -3.10486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92258e+03    9.29665e+04    4.01379e+05   -2.34318e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66324e+04   -2.44659e+06    4.79237e+05   -1.96735e+06    2.54616e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10698e+02   -2.08095e+02    7.53082e+01    5.64766e-06


DD  step 238814999 load imb.: force 18.8%  pme mesh/force 0.769
           Step           Time
      238815000   477630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28442e+03    1.95416e+04    1.32458e+04    1.21773e+03   -3.12485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71909e+03    9.22278e+04    4.01588e+05   -2.33459e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64260e+04   -2.44590e+06    4.80376e+05   -1.96553e+06    2.54622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11436e+02   -2.06574e+02   -6.69081e+00    5.58660e-06


DD  step 238819999 load imb.: force 17.4%  pme mesh/force 0.748
           Step           Time
      238820000   477640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78479e+03    1.89864e+04    1.31612e+04    1.15171e+03   -3.07405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81853e+03    9.35088e+04    4.00605e+05   -2.34040e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65299e+04   -2.44804e+06    4.79335e+05   -1.96871e+06    2.54627e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.07602e+02    8.55028e+00    5.58063e-06


DD  step 238824999 load imb.: force 16.1%  pme mesh/force 0.750
           Step           Time
      238825000   477650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16598e+03    1.93456e+04    1.28586e+04    1.12774e+03   -3.09857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87907e+03    9.26870e+04    3.98844e+05   -2.33816e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64273e+04   -2.44810e+06    4.80165e+05   -1.96794e+06    2.54634e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11299e+02   -2.07205e+02   -6.16232e+01    5.54699e-06


DD  step 238829999 load imb.: force 18.4%  pme mesh/force 0.755
           Step           Time
      238830000   477660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98573e+03    1.90912e+04    1.30646e+04    1.19476e+03   -3.06991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83000e+03    9.30305e+04    3.99285e+05   -2.33916e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67122e+04   -2.45027e+06    4.77959e+05   -1.97232e+06    2.54639e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09869e+02   -2.07382e+02   -1.13563e+02    5.61067e-06


DD  step 238834999 load imb.: force 17.3%  pme mesh/force 0.727
           Step           Time
      238835000   477670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22618e+03    1.91805e+04    1.29930e+04    1.18202e+03   -3.08835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82013e+03    9.28063e+04    3.96407e+05   -2.33495e+04   -2.97343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63369e+04   -2.44791e+06    4.79186e+05   -1.96873e+06    2.54645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10665e+02   -2.06637e+02   -1.75100e+02    5.52950e-06


DD  step 238839999 load imb.: force 17.0%  pme mesh/force 0.733
           Step           Time
      238840000   477680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84297e+03    1.97861e+04    1.32827e+04    1.09706e+03   -3.15825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92944e+03    9.24539e+04    4.00737e+05   -2.33808e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65601e+04   -2.44532e+06    4.78771e+05   -1.96654e+06    2.54651e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10396e+02   -2.07190e+02    5.70004e+01    5.41550e-06


DD  step 238844999 load imb.: force 16.3%  pme mesh/force 0.709
           Step           Time
      238845000   477690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15399e+03    1.98187e+04    1.31348e+04    1.16826e+03   -3.11558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67686e+03    9.22350e+04    3.97527e+05   -2.33400e+04   -2.97220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65607e+04   -2.44538e+06    4.79819e+05   -1.96556e+06    2.54657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11075e+02   -2.06469e+02   -1.63953e+02    5.54504e-06


DD  step 238849999 load imb.: force 17.6%  pme mesh/force 0.741
           Step           Time
      238850000   477700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10547e+03    1.96915e+04    1.29788e+04    1.13843e+03   -3.01528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84644e+03    9.23745e+04    4.00671e+05   -2.33782e+04   -2.97676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63834e+04   -2.44696e+06    4.80055e+05   -1.96691e+06    2.54662e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11228e+02   -2.07146e+02   -2.37750e+00    5.58172e-06


DD  step 238854999 load imb.: force 16.7%  pme mesh/force 0.728
           Step           Time
      238855000   477710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05333e+03    1.97047e+04    1.30906e+04    1.16743e+03   -3.05427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89181e+03    9.27204e+04    3.99505e+05   -2.34091e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63950e+04   -2.44696e+06    4.80408e+05   -1.96655e+06    2.54668e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11457e+02   -2.07692e+02    3.40217e+01    5.61516e-06


DD  step 238859999 load imb.: force 16.8%  pme mesh/force 0.733
           Step           Time
      238860000   477720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83281e+03    1.94343e+04    1.31038e+04    1.20453e+03   -3.11177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87461e+03    9.28436e+04    3.99195e+05   -2.34136e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65054e+04   -2.44859e+06    4.78241e+05   -1.97034e+06    2.54674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10052e+02   -2.07771e+02   -1.65481e+01    5.51829e-06


DD  step 238864999 load imb.: force 18.5%  pme mesh/force 0.752
           Step           Time
      238865000   477730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00319e+03    1.92027e+04    1.30259e+04    1.21653e+03   -2.99553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76724e+03    9.32363e+04    3.99068e+05   -2.33961e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64172e+04   -2.44729e+06    4.81645e+05   -1.96564e+06    2.54679e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12259e+02   -2.07461e+02    4.05127e+00    5.53992e-06


DD  step 238869999 load imb.: force 18.9%  pme mesh/force 0.772
           Step           Time
      238870000   477740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12995e+03    1.93474e+04    1.32455e+04    1.22019e+03   -2.96733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80871e+03    9.27773e+04    3.98643e+05   -2.34352e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64372e+04   -2.44667e+06    4.78803e+05   -1.96786e+06    2.54686e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10416e+02   -2.08155e+02   -4.50689e+01    5.73302e-06


DD  step 238874999 load imb.: force 15.9%  pme mesh/force 0.714
           Step           Time
      238875000   477750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06436e+03    1.96328e+04    1.32512e+04    1.10647e+03   -3.08980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80332e+03    9.24952e+04    4.00684e+05   -2.34070e+04   -2.97706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65144e+04   -2.44701e+06    4.79178e+05   -1.96783e+06    2.54691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10660e+02   -2.07655e+02    3.18148e+01    5.62978e-06


DD  step 238879999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      238880000   477760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84456e+03    1.93918e+04    1.30719e+04    1.20988e+03   -2.98522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86365e+03    9.31833e+04    4.01248e+05   -2.33891e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66240e+04   -2.44772e+06    4.80163e+05   -1.96756e+06    2.54697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11299e+02   -2.07338e+02    3.54473e+01    5.77351e-06


DD  step 238884999 load imb.: force 17.1%  pme mesh/force 0.747
           Step           Time
      238885000   477770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13778e+03    1.96376e+04    1.30358e+04    1.18012e+03   -3.08828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90140e+03    9.30086e+04    4.00237e+05   -2.33687e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64016e+04   -2.44734e+06    4.80422e+05   -1.96691e+06    2.54703e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.06977e+02    1.36052e+01    5.57652e-06


DD  step 238889999 load imb.: force 18.9%  pme mesh/force 0.788
           Step           Time
      238890000   477780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92772e+03    1.87790e+04    1.30565e+04    1.15803e+03   -3.02872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00970e+03    9.26467e+04    4.00084e+05   -2.33767e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63226e+04   -2.44878e+06    4.77680e+05   -1.97110e+06    2.54708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09688e+02   -2.07118e+02   -3.19653e+01    5.65125e-06


DD  step 238894999 load imb.: force 16.7%  pme mesh/force 0.771
           Step           Time
      238895000   477790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09015e+03    1.95476e+04    1.31525e+04    1.24210e+03   -3.13659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97987e+03    9.28936e+04    4.01315e+05   -2.33579e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65670e+04   -2.44525e+06    4.80117e+05   -1.96513e+06    2.54714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.06786e+02    2.20127e+01    5.61169e-06


DD  step 238899999 load imb.: force 16.5%  pme mesh/force 0.723
           Step           Time
      238900000   477800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81179e+03    1.92937e+04    1.29780e+04    1.19153e+03   -2.98907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78270e+03    9.28280e+04    4.00640e+05   -2.33975e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65190e+04   -2.44960e+06    4.77976e+05   -1.97162e+06    2.54720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09881e+02   -2.07487e+02   -6.18340e+01    5.51804e-06


DD  step 238904999 load imb.: force 18.2%  pme mesh/force 0.764
           Step           Time
      238905000   477810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85760e+03    1.95774e+04    1.30803e+04    1.12288e+03   -3.00312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83734e+03    9.31162e+04    4.00640e+05   -2.34071e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65296e+04   -2.44706e+06    4.79862e+05   -1.96720e+06    2.54726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11103e+02   -2.07657e+02    2.90498e+01    5.29215e-06


DD  step 238909999 load imb.: force 16.4%  pme mesh/force 0.727
           Step           Time
      238910000   477820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90296e+03    1.92053e+04    1.29018e+04    1.20985e+03   -3.15494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86599e+03    9.36028e+04    3.99438e+05   -2.33745e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65895e+04   -2.44776e+06    4.79835e+05   -1.96792e+06    2.54731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11086e+02   -2.07079e+02   -1.13316e+01    5.67295e-06


DD  step 238914999 load imb.: force 19.1%  pme mesh/force 0.743
           Step           Time
      238915000   477830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96046e+03    1.93989e+04    1.31220e+04    1.15177e+03   -3.17492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92075e+03    9.28385e+04    3.99527e+05   -2.33754e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65725e+04   -2.44934e+06    4.79796e+05   -1.96954e+06    2.54737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.07095e+02   -4.87129e+01    5.56764e-06


DD  step 238919999 load imb.: force 15.8%  pme mesh/force 0.730
           Step           Time
      238920000   477840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27254e+03    1.94417e+04    1.32420e+04    1.23005e+03   -3.16633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84197e+03    9.23355e+04    3.99113e+05   -2.33548e+04   -2.97258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65206e+04   -2.44410e+06    4.81346e+05   -1.96276e+06    2.54743e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12065e+02   -2.06731e+02   -3.56749e+01    5.59864e-06


DD  step 238924999 load imb.: force 18.5%  pme mesh/force 0.767
           Step           Time
      238925000   477850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97113e+03    1.96143e+04    1.33397e+04    1.18221e+03   -3.12653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98710e+03    9.26633e+04    4.03416e+05   -2.34162e+04   -2.98133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64269e+04   -2.44827e+06    4.80509e+05   -1.96776e+06    2.54749e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11523e+02   -2.07818e+02    8.52219e+01    5.58482e-06


DD  step 238929999 load imb.: force 17.0%  pme mesh/force 0.760
           Step           Time
      238930000   477860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07846e+03    1.92470e+04    1.31408e+04    1.12725e+03   -3.10915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86868e+03    9.30770e+04    4.02160e+05   -2.33507e+04   -2.98076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65856e+04   -2.44893e+06    4.78449e+05   -1.97048e+06    2.54754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10187e+02   -2.06659e+02   -1.56228e+01    5.62525e-06


DD  step 238934999 load imb.: force 16.8%  pme mesh/force 0.741
           Step           Time
      238935000   477870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97801e+03    1.93337e+04    1.33136e+04    1.27778e+03   -3.03563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77277e+03    9.28597e+04    3.99380e+05   -2.33587e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66401e+04   -2.44599e+06    4.80095e+05   -1.96589e+06    2.54760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.06800e+02   -6.23752e+01    5.43838e-06


DD  step 238939999 load imb.: force 17.6%  pme mesh/force 0.714
           Step           Time
      238940000   477880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13969e+03    1.92934e+04    1.32646e+04    1.15241e+03   -3.19039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88647e+03    9.29201e+04    4.00371e+05   -2.33886e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65638e+04   -2.44630e+06    4.80896e+05   -1.96541e+06    2.54765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11774e+02   -2.07330e+02   -1.32263e+01    5.63678e-06


DD  step 238944999 load imb.: force 16.9%  pme mesh/force 0.753
           Step           Time
      238945000   477890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10969e+03    1.97028e+04    1.31216e+04    1.23544e+03   -3.06145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79098e+03    9.24586e+04    3.98790e+05   -2.33316e+04   -2.97213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64994e+04   -2.44381e+06    4.81741e+05   -1.96207e+06    2.54771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12321e+02   -2.06320e+02   -6.85000e+01    5.62300e-06


DD  step 238949999 load imb.: force 16.6%  pme mesh/force 0.720
           Step           Time
      238950000   477900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13903e+03    1.93600e+04    1.29726e+04    1.17203e+03   -3.02541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78510e+03    9.31310e+04    4.02885e+05   -2.33941e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63515e+04   -2.44590e+06    4.80469e+05   -1.96543e+06    2.54777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11496e+02   -2.07426e+02    7.88904e+01    5.40357e-06


DD  step 238954999 load imb.: force 18.5%  pme mesh/force 0.749
           Step           Time
      238955000   477910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92657e+03    1.93561e+04    1.30189e+04    1.23411e+03   -2.98285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94810e+03    9.27103e+04    4.00680e+05   -2.33535e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67317e+04   -2.44700e+06    4.79506e+05   -1.96749e+06    2.54782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10872e+02   -2.06708e+02   -3.04530e+01    5.48057e-06


DD  step 238959999 load imb.: force 21.6%  pme mesh/force 0.772
           Step           Time
      238960000   477920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12393e+03    1.93542e+04    1.30473e+04    1.25221e+03   -3.03621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81507e+03    9.28731e+04    3.99439e+05   -2.33633e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64339e+04   -2.44723e+06    4.78952e+05   -1.96828e+06    2.54788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10513e+02   -2.06881e+02   -3.54345e+01    5.61038e-06


DD  step 238964999 load imb.: force 15.9%  pme mesh/force 0.742
           Step           Time
      238965000   477930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02208e+03    1.95411e+04    1.32493e+04    1.16587e+03   -3.03162e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96868e+03    9.29882e+04    3.98005e+05   -2.33982e+04   -2.97335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63095e+04   -2.44554e+06    4.80426e+05   -1.96511e+06    2.54794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.07498e+02   -5.89588e+01    5.48529e-06


DD  step 238969999 load imb.: force 17.0%  pme mesh/force 0.779
           Step           Time
      238970000   477940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77216e+03    1.95343e+04    1.30768e+04    1.22695e+03   -3.13095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97696e+03    9.26621e+04    4.01145e+05   -2.34226e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63275e+04   -2.44967e+06    4.79593e+05   -1.97008e+06    2.54800e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10928e+02   -2.07932e+02    4.38342e+01    5.46667e-06


DD  step 238974999 load imb.: force 17.1%  pme mesh/force 0.737
           Step           Time
      238975000   477950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83712e+03    1.96391e+04    1.29824e+04    1.14979e+03   -3.08658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79674e+03    9.27659e+04    4.00557e+05   -2.33682e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66415e+04   -2.44547e+06    4.78601e+05   -1.96687e+06    2.54805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10286e+02   -2.06968e+02   -8.64355e+00    5.47499e-06


DD  step 238979999 load imb.: force 17.5%  pme mesh/force 0.750
           Step           Time
      238980000   477960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02440e+03    1.98316e+04    1.30879e+04    1.16818e+03   -3.07745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85931e+03    9.29342e+04    4.01294e+05   -2.33750e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63925e+04   -2.44800e+06    4.79728e+05   -1.96827e+06    2.54812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.07088e+02   -2.82227e+01    5.48661e-06


DD  step 238984999 load imb.: force 16.8%  pme mesh/force 0.752
           Step           Time
      238985000   477970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11364e+03    1.94480e+04    1.29689e+04    1.17165e+03   -2.98621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86933e+03    9.28777e+04    4.00981e+05   -2.34136e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64611e+04   -2.44382e+06    4.80561e+05   -1.96326e+06    2.54817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11556e+02   -2.07773e+02    8.11701e+01    5.48219e-06


DD  step 238989999 load imb.: force 18.2%  pme mesh/force 0.720
           Step           Time
      238990000   477980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05956e+03    1.92012e+04    1.31852e+04    1.15402e+03   -3.09826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91101e+03    9.30643e+04    3.99930e+05   -2.33848e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65643e+04   -2.44745e+06    4.79259e+05   -1.96819e+06    2.54823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10712e+02   -2.07262e+02   -7.94740e+00    5.49870e-06


DD  step 238994999 load imb.: force 17.6%  pme mesh/force 0.733
           Step           Time
      238995000   477990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04890e+03    1.91949e+04    1.31079e+04    1.29686e+03   -3.18442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81825e+03    9.32994e+04    3.99056e+05   -2.33479e+04   -2.97203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66568e+04   -2.44308e+06    4.80507e+05   -1.96257e+06    2.54828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11522e+02   -2.06609e+02    2.21577e+01    5.42506e-06


DD  step 238999999 load imb.: force 17.2%  pme mesh/force 0.767
           Step           Time
      239000000   478000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08014e+03    1.94908e+04    1.32154e+04    1.15770e+03   -3.12456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79292e+03    9.34833e+04    3.95882e+05   -2.33353e+04   -2.97206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63682e+04   -2.44605e+06    4.79878e+05   -1.96617e+06    2.54834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.06386e+02   -1.41381e+02    5.54036e-06


DD  step 239004999 load imb.: force 18.3%  pme mesh/force 0.767
           Step           Time
      239005000   478010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06273e+03    1.92409e+04    1.31098e+04    1.20651e+03   -3.10852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81130e+03    9.29212e+04    4.03113e+05   -2.34298e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63380e+04   -2.44832e+06    4.77211e+05   -1.97111e+06    2.54840e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09384e+02   -2.08060e+02    8.12856e+01    5.47571e-06


DD  step 239009999 load imb.: force 17.5%  pme mesh/force 0.743
           Step           Time
      239010000   478020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02212e+03    1.96244e+04    1.31822e+04    1.19735e+03   -3.12691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88561e+03    9.34610e+04    4.03164e+05   -2.34510e+04   -2.98190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64632e+04   -2.44847e+06    4.79633e+05   -1.96884e+06    2.54846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10955e+02   -2.08435e+02    1.14732e+02    5.57084e-06


DD  step 239014999 load imb.: force 16.8%  pme mesh/force 0.738
           Step           Time
      239015000   478030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89461e+03    1.88911e+04    1.31755e+04    1.18034e+03   -2.98521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90927e+03    9.34360e+04    4.00455e+05   -2.33783e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65821e+04   -2.44595e+06    4.79908e+05   -1.96604e+06    2.54851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11133e+02   -2.07147e+02    2.50849e+01    5.55857e-06


DD  step 239019999 load imb.: force 17.4%  pme mesh/force 0.722
           Step           Time
      239020000   478040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02046e+03    1.97530e+04    1.30174e+04    1.14034e+03   -3.11975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78643e+03    9.29110e+04    4.01188e+05   -2.34024e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64208e+04   -2.44557e+06    4.79512e+05   -1.96606e+06    2.54857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.07574e+02    5.08782e+01    5.56025e-06


DD  step 239024999 load imb.: force 16.8%  pme mesh/force 0.697
           Step           Time
      239025000   478050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98950e+03    1.94695e+04    1.32869e+04    1.16459e+03   -3.19680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86699e+03    9.28071e+04    4.02326e+05   -2.34123e+04   -2.98076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65855e+04   -2.44887e+06    4.80037e+05   -1.96883e+06    2.54863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11217e+02   -2.07750e+02    7.81825e+01    5.38892e-06


DD  step 239029999 load imb.: force 17.6%  pme mesh/force 0.714
           Step           Time
      239030000   478060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91106e+03    1.93598e+04    1.30059e+04    1.14902e+03   -2.99939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84009e+03    9.28399e+04    4.00253e+05   -2.33711e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64225e+04   -2.44770e+06    4.77915e+05   -1.96979e+06    2.54869e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09841e+02   -2.07018e+02   -3.22204e+01    5.46480e-06


DD  step 239034999 load imb.: force 16.1%  pme mesh/force 0.725
           Step           Time
      239035000   478070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16558e+03    1.92931e+04    1.30566e+04    1.20277e+03   -3.00653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85290e+03    9.35329e+04    4.00014e+05   -2.33480e+04   -2.97406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64864e+04   -2.44381e+06    4.78395e+05   -1.96542e+06    2.54875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.06611e+02    1.55691e+01    5.47510e-06


DD  step 239039999 load imb.: force 18.0%  pme mesh/force 0.742
           Step           Time
      239040000   478080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94831e+03    1.94301e+04    1.30010e+04    1.12136e+03   -3.09077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89716e+03    9.32373e+04    4.02044e+05   -2.33997e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64390e+04   -2.44824e+06    4.79957e+05   -1.96828e+06    2.54880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11165e+02   -2.07525e+02    6.24838e+01    5.50477e-06


DD  step 239044999 load imb.: force 16.5%  pme mesh/force 0.732
           Step           Time
      239045000   478090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97784e+03    1.98697e+04    1.30582e+04    1.15732e+03   -3.12965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89253e+03    9.35873e+04    4.01882e+05   -2.33320e+04   -2.97603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66826e+04   -2.44338e+06    4.80265e+05   -1.96312e+06    2.54886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11364e+02   -2.06327e+02    5.15944e+01    5.37891e-06


DD  step 239049999 load imb.: force 18.3%  pme mesh/force 0.725
           Step           Time
      239050000   478100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08047e+03    1.95044e+04    1.28445e+04    1.19234e+03   -2.97438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72054e+03    9.27848e+04    4.02132e+05   -2.33796e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64294e+04   -2.44616e+06    4.81968e+05   -1.96420e+06    2.54891e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12468e+02   -2.07169e+02    3.10068e+01    5.65074e-06


DD  step 239054999 load imb.: force 17.1%  pme mesh/force 0.748
           Step           Time
      239055000   478110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33937e+03    1.95133e+04    1.30009e+04    1.19243e+03   -3.11272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85169e+03    9.25812e+04    3.99549e+05   -2.33471e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65343e+04   -2.44547e+06    4.80062e+05   -1.96541e+06    2.54897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11233e+02   -2.06595e+02   -8.52020e+01    5.41536e-06


DD  step 239059999 load imb.: force 16.8%  pme mesh/force 0.730
           Step           Time
      239060000   478120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92582e+03    1.96617e+04    1.29881e+04    1.08654e+03   -3.09061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89030e+03    9.25174e+04    4.00794e+05   -2.34045e+04   -2.97834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66158e+04   -2.44836e+06    4.81230e+05   -1.96713e+06    2.54902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11990e+02   -2.07611e+02    1.42041e+01    5.56523e-06


DD  step 239064999 load imb.: force 16.9%  pme mesh/force 0.744
           Step           Time
      239065000   478130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90402e+03    1.96069e+04    1.28757e+04    1.29953e+03   -3.17812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94622e+03    9.30911e+04    3.99049e+05   -2.33507e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66304e+04   -2.44799e+06    4.80031e+05   -1.96796e+06    2.54909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.06659e+02   -2.52151e+01    5.48713e-06


DD  step 239069999 load imb.: force 17.6%  pme mesh/force 0.728
           Step           Time
      239070000   478140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08363e+03    1.94144e+04    1.31066e+04    1.14149e+03   -3.00396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65274e+03    9.29642e+04    3.98063e+05   -2.33866e+04   -2.97311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64583e+04   -2.44561e+06    4.80439e+05   -1.96518e+06    2.54914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.07293e+02   -7.96379e+01    5.41633e-06


DD  step 239074999 load imb.: force 14.8%  pme mesh/force 0.731
           Step           Time
      239075000   478150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94595e+03    1.94625e+04    1.30760e+04    1.24890e+03   -3.07040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87038e+03    9.31125e+04    3.98876e+05   -2.33529e+04   -2.97195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62775e+04   -2.44351e+06    4.79687e+05   -1.96382e+06    2.54920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.06698e+02    2.57356e+01    5.36465e-06


DD  step 239079999 load imb.: force 17.4%  pme mesh/force 0.738
           Step           Time
      239080000   478160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86444e+03    1.92421e+04    1.30577e+04    1.16984e+03   -3.09198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96094e+03    9.35377e+04    4.00224e+05   -2.34191e+04   -2.97637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64742e+04   -2.44635e+06    4.79325e+05   -1.96703e+06    2.54926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.07869e+02    3.98501e+01    5.60939e-06


DD  step 239084999 load imb.: force 17.4%  pme mesh/force 0.780
           Step           Time
      239085000   478170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89879e+03    1.95936e+04    1.29365e+04    1.24067e+03   -3.06986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87424e+03    9.27911e+04    4.02113e+05   -2.34094e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66186e+04   -2.44901e+06    4.79379e+05   -1.96963e+06    2.54932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10790e+02   -2.07698e+02    6.69601e+01    5.53059e-06

Writing checkpoint, step 239089450 at Wed Nov  8 09:46:28 2023



DD  step 239089999 load imb.: force 16.8%  pme mesh/force 0.719
           Step           Time
      239090000   478180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83923e+03    1.92260e+04    1.30368e+04    1.21509e+03   -3.14036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96718e+03    9.26760e+04    3.99786e+05   -2.33332e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64420e+04   -2.44826e+06    4.78163e+05   -1.97010e+06    2.54937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10002e+02   -2.06348e+02   -1.65711e+01    5.45547e-06


DD  step 239094999 load imb.: force 18.0%  pme mesh/force 0.723
           Step           Time
      239095000   478190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77426e+03    1.95905e+04    1.33761e+04    1.20163e+03   -3.05654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90023e+03    9.30419e+04    4.01308e+05   -2.33846e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65918e+04   -2.44500e+06    4.79939e+05   -1.96506e+06    2.54943e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.07258e+02    6.77414e+01    5.47197e-06


DD  step 239099999 load imb.: force 15.2%  pme mesh/force 0.727
           Step           Time
      239100000   478200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09146e+03    1.89426e+04    1.30813e+04    1.19368e+03   -3.07104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.04420e+03    9.25693e+04    4.03577e+05   -2.33868e+04   -2.98121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65932e+04   -2.44858e+06    4.78532e+05   -1.97005e+06    2.54949e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10241e+02   -2.07298e+02    8.60023e+01    5.41900e-06


DD  step 239104999 load imb.: force 21.8%  pme mesh/force 0.753
           Step           Time
      239105000   478210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87319e+03    1.96306e+04    1.30666e+04    1.19660e+03   -3.08463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92613e+03    9.28250e+04    4.00650e+05   -2.33889e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66025e+04   -2.44561e+06    4.80540e+05   -1.96507e+06    2.54954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.07334e+02    6.43491e+01    5.59425e-06


DD  step 239109999 load imb.: force 16.0%  pme mesh/force 0.701
           Step           Time
      239110000   478220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13353e+03    1.96203e+04    1.31857e+04    1.19708e+03   -3.15125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82994e+03    9.30118e+04    4.02917e+05   -2.33709e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66029e+04   -2.44644e+06    4.81533e+05   -1.96491e+06    2.54960e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12187e+02   -2.07016e+02    3.74902e+01    5.28046e-06


DD  step 239114999 load imb.: force 18.6%  pme mesh/force 0.733
           Step           Time
      239115000   478230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06022e+03    1.93959e+04    1.31867e+04    1.18145e+03   -2.99994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67948e+03    9.31388e+04    4.02020e+05   -2.34009e+04   -2.98068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64700e+04   -2.44895e+06    4.78404e+05   -1.97055e+06    2.54966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10158e+02   -2.07548e+02   -1.11138e+01    5.54626e-06


DD  step 239119999 load imb.: force 17.0%  pme mesh/force 0.738
           Step           Time
      239120000   478240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77014e+03    1.94813e+04    1.29856e+04    1.15319e+03   -3.06897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01082e+03    9.24940e+04    4.01520e+05   -2.34312e+04   -2.98033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63901e+04   -2.45002e+06    4.78921e+05   -1.97110e+06    2.54971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10493e+02   -2.08085e+02    7.63883e+01    5.42217e-06


DD  step 239124999 load imb.: force 18.0%  pme mesh/force 0.715
           Step           Time
      239125000   478250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95806e+03    1.95296e+04    1.30587e+04    1.13325e+03   -3.11455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85939e+03    9.23918e+04    3.98482e+05   -2.34341e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65125e+04   -2.44964e+06    4.79195e+05   -1.97044e+06    2.54977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10671e+02   -2.08136e+02   -4.15864e+01    5.48422e-06


DD  step 239129999 load imb.: force 17.5%  pme mesh/force 0.740
           Step           Time
      239130000   478260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79829e+03    1.88182e+04    1.31239e+04    1.20682e+03   -3.01184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91099e+03    9.33158e+04    3.98728e+05   -2.33598e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65636e+04   -2.44928e+06    4.76576e+05   -1.97271e+06    2.54983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08973e+02   -2.06820e+02   -8.14196e+01    5.38465e-06


DD  step 239134999 load imb.: force 18.5%  pme mesh/force 0.742
           Step           Time
      239135000   478270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09736e+03    1.94984e+04    1.30361e+04    1.22559e+03   -3.06463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94826e+03    9.31767e+04    3.99931e+05   -2.33962e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64139e+04   -2.44601e+06    4.78746e+05   -1.96726e+06    2.54989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10379e+02   -2.07463e+02    2.91009e+01    5.59978e-06


DD  step 239139999 load imb.: force 17.7%  pme mesh/force 0.717
           Step           Time
      239140000   478280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17061e+03    1.98173e+04    1.29388e+04    1.12725e+03   -2.99287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93220e+03    9.20606e+04    4.01188e+05   -2.33533e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65494e+04   -2.44569e+06    4.80861e+05   -1.96483e+06    2.54994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11751e+02   -2.06705e+02   -5.85240e+00    5.43717e-06


DD  step 239144999 load imb.: force 17.6%  pme mesh/force 0.738
           Step           Time
      239145000   478290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01852e+03    1.91508e+04    1.31805e+04    1.11647e+03   -3.12281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01287e+03    9.28727e+04    3.96659e+05   -2.34003e+04   -2.97148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65455e+04   -2.44545e+06    4.78676e+05   -1.96677e+06    2.55000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10334e+02   -2.07537e+02   -8.85176e+01    5.52515e-06


DD  step 239149999 load imb.: force 16.2%  pme mesh/force 0.710
           Step           Time
      239150000   478300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04084e+03    1.96896e+04    1.30368e+04    1.28683e+03   -3.05274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87276e+03    9.20729e+04    4.00049e+05   -2.33628e+04   -2.97326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64581e+04   -2.44417e+06    4.81190e+05   -1.96298e+06    2.55005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11964e+02   -2.06872e+02   -1.72191e+01    5.37586e-06


DD  step 239154999 load imb.: force 16.8%  pme mesh/force 0.722
           Step           Time
      239155000   478310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10736e+03    1.97180e+04    1.29111e+04    1.13813e+03   -3.03845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95461e+03    9.23247e+04    4.01428e+05   -2.34037e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61895e+04   -2.44916e+06    4.80457e+05   -1.96870e+06    2.55011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11489e+02   -2.07596e+02    6.19894e+01    5.47829e-06


DD  step 239159999 load imb.: force 19.8%  pme mesh/force 0.734
           Step           Time
      239160000   478320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34097e+03    1.90729e+04    1.28453e+04    1.19607e+03   -3.19636e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80778e+03    9.25872e+04    4.02179e+05   -2.33957e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67449e+04   -2.44508e+06    4.78829e+05   -1.96625e+06    2.55017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10434e+02   -2.07455e+02    4.92967e+01    5.36230e-06


DD  step 239164999 load imb.: force 16.2%  pme mesh/force 0.710
           Step           Time
      239165000   478330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24000e+03    1.94969e+04    1.29837e+04    1.12568e+03   -3.03681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88134e+03    9.22788e+04    3.97619e+05   -2.33857e+04   -2.97286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65573e+04   -2.44610e+06    4.79541e+05   -1.96656e+06    2.55022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10895e+02   -2.07277e+02   -6.60961e+01    5.28708e-06


DD  step 239169999 load imb.: force 18.8%  pme mesh/force 0.735
           Step           Time
      239170000   478340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19937e+03    1.94444e+04    1.30771e+04    1.19892e+03   -3.16336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78659e+03    9.25347e+04    4.03131e+05   -2.34187e+04   -2.97876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64525e+04   -2.44652e+06    4.78344e+05   -1.96818e+06    2.55028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10119e+02   -2.07862e+02    9.87345e+01    5.25880e-06


DD  step 239174999 load imb.: force 20.5%  pme mesh/force 0.712
           Step           Time
      239175000   478350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04692e+03    1.91698e+04    1.29834e+04    1.17562e+03   -3.12187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88738e+03    9.30334e+04    4.01032e+05   -2.34142e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66301e+04   -2.44763e+06    4.78597e+05   -1.96904e+06    2.55034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10283e+02   -2.07782e+02   -5.07166e+00    5.43406e-06


DD  step 239179999 load imb.: force 16.2%  pme mesh/force 0.728
           Step           Time
      239180000   478360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10913e+03    1.97013e+04    1.32310e+04    1.21004e+03   -3.08890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80456e+03    9.25497e+04    4.00579e+05   -2.34189e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64805e+04   -2.44674e+06    4.81872e+05   -1.96487e+06    2.55039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12407e+02   -2.07866e+02    3.31301e+01    5.49875e-06


DD  step 239184999 load imb.: force 18.3%  pme mesh/force 0.767
           Step           Time
      239185000   478370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94726e+03    2.00434e+04    1.30260e+04    1.11971e+03   -3.12765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70848e+03    9.29934e+04    4.00630e+05   -2.33917e+04   -2.97845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65403e+04   -2.44796e+06    4.76222e+05   -1.97174e+06    2.55045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08744e+02   -2.07383e+02   -6.33641e+00    5.39224e-06


DD  step 239189999 load imb.: force 17.6%  pme mesh/force 0.732
           Step           Time
      239190000   478380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91922e+03    1.94855e+04    1.31109e+04    1.16550e+03   -3.11217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81635e+03    9.27101e+04    4.01812e+05   -2.33754e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64191e+04   -2.44804e+06    4.79747e+05   -1.96830e+06    2.55050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.07095e+02    3.01949e+01    5.33484e-06


DD  step 239194999 load imb.: force 16.8%  pme mesh/force 0.732
           Step           Time
      239195000   478390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13413e+03    1.94787e+04    1.31849e+04    1.27049e+03   -3.08187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79538e+03    9.23666e+04    4.02109e+05   -2.34024e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65279e+04   -2.44669e+06    4.80180e+05   -1.96651e+06    2.55056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11309e+02   -2.07574e+02    1.12295e+02    5.37879e-06


DD  step 239199999 load imb.: force 16.5%  pme mesh/force 0.722
           Step           Time
      239200000   478400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98995e+03    1.90644e+04    1.31893e+04    1.17525e+03   -2.99903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86170e+03    9.32885e+04    4.00148e+05   -2.33618e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65391e+04   -2.44577e+06    4.78683e+05   -1.96709e+06    2.55062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10339e+02   -2.06855e+02   -1.12044e+01    5.36192e-06


DD  step 239204999 load imb.: force 16.2%  pme mesh/force 0.730
           Step           Time
      239205000   478410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06369e+03    1.96073e+04    1.30640e+04    1.08685e+03   -3.01752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96090e+03    9.27778e+04    3.99616e+05   -2.33598e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65160e+04   -2.44439e+06    4.80570e+05   -1.96382e+06    2.55068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11562e+02   -2.06819e+02   -4.65845e+00    5.39041e-06


DD  step 239209999 load imb.: force 16.9%  pme mesh/force 0.748
           Step           Time
      239210000   478420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03151e+03    2.01852e+04    1.32492e+04    1.11847e+03   -3.02188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77940e+03    9.24434e+04    4.01446e+05   -2.33096e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63933e+04   -2.44295e+06    4.81734e+05   -1.96121e+06    2.55073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12317e+02   -2.05933e+02    2.61035e+01    5.40062e-06


DD  step 239214999 load imb.: force 16.0%  pme mesh/force 0.698
           Step           Time
      239215000   478430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10127e+03    1.95848e+04    1.31789e+04    1.14120e+03   -3.06287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77124e+03    9.25189e+04    3.98656e+05   -2.33925e+04   -2.97459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64925e+04   -2.44660e+06    4.80724e+05   -1.96588e+06    2.55078e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11662e+02   -2.07399e+02   -4.96562e+01    5.46585e-06


DD  step 239219999 load imb.: force 18.0%  pme mesh/force 0.710
           Step           Time
      239220000   478440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04043e+03    1.94522e+04    1.31447e+04    1.21895e+03   -3.14061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82080e+03    9.28464e+04    4.01408e+05   -2.33800e+04   -2.98061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64170e+04   -2.44978e+06    4.79647e+05   -1.97014e+06    2.55084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10964e+02   -2.07177e+02    1.22666e+01    5.57127e-06


DD  step 239224999 load imb.: force 17.7%  pme mesh/force 0.710
           Step           Time
      239225000   478450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81339e+03    1.92249e+04    1.30920e+04    1.14462e+03   -3.12469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86824e+03    9.29030e+04    3.95716e+05   -2.33479e+04   -2.97063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62821e+04   -2.44605e+06    4.80351e+05   -1.96570e+06    2.55090e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11420e+02   -2.06609e+02   -1.64751e+02    5.47305e-06


DD  step 239229999 load imb.: force 16.2%  pme mesh/force 0.745
           Step           Time
      239230000   478460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91820e+03    1.90069e+04    1.30021e+04    1.15641e+03   -3.10107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80128e+03    9.31926e+04    4.02071e+05   -2.33851e+04   -2.97921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63519e+04   -2.44819e+06    4.77820e+05   -1.97037e+06    2.55096e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09779e+02   -2.07267e+02    1.05298e+01    5.57153e-06


DD  step 239234999 load imb.: force 16.4%  pme mesh/force 0.714
           Step           Time
      239235000   478470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93642e+03    1.95210e+04    1.32424e+04    1.13079e+03   -2.98703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79131e+03    9.30096e+04    3.98210e+05   -2.33904e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64876e+04   -2.44975e+06    4.81088e+05   -1.96866e+06    2.55101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11898e+02   -2.07360e+02   -7.99233e+01    5.49575e-06


DD  step 239239999 load imb.: force 19.6%  pme mesh/force 0.719
           Step           Time
      239240000   478480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19914e+03    1.92437e+04    1.31017e+04    1.28227e+03   -3.24063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78852e+03    9.25251e+04    4.00156e+05   -2.33489e+04   -2.97647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66525e+04   -2.44711e+06    4.80646e+05   -1.96646e+06    2.55107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.06626e+02   -8.15115e+01    5.41453e-06


DD  step 239244999 load imb.: force 16.8%  pme mesh/force 0.756
           Step           Time
      239245000   478490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02515e+03    1.94059e+04    1.31529e+04    1.14792e+03   -3.08652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82514e+03    9.32872e+04    3.97303e+05   -2.33522e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64297e+04   -2.44699e+06    4.80676e+05   -1.96632e+06    2.55113e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11631e+02   -2.06685e+02   -8.18823e+01    5.53176e-06


DD  step 239249999 load imb.: force 17.8%  pme mesh/force 0.762
           Step           Time
      239250000   478500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91461e+03    1.98286e+04    1.30468e+04    1.21165e+03   -3.04744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67607e+03    9.24580e+04    4.00112e+05   -2.33858e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65858e+04   -2.44682e+06    4.80691e+05   -1.96613e+06    2.55118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11640e+02   -2.07280e+02   -1.50090e+01    5.62205e-06


DD  step 239254999 load imb.: force 18.5%  pme mesh/force 0.775
           Step           Time
      239255000   478510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89527e+03    1.98772e+04    1.32038e+04    1.22063e+03   -3.08923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87653e+03    9.27625e+04    4.00131e+05   -2.33388e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63917e+04   -2.44545e+06    4.80309e+05   -1.96514e+06    2.55124e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.06447e+02    3.12737e+01    5.47287e-06


DD  step 239259999 load imb.: force 17.3%  pme mesh/force 0.738
           Step           Time
      239260000   478520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13496e+03    1.96736e+04    1.30678e+04    1.12768e+03   -3.06324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88104e+03    9.25474e+04    3.98780e+05   -2.34021e+04   -2.97399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64423e+04   -2.44580e+06    4.81158e+05   -1.96464e+06    2.55130e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11944e+02   -2.07568e+02   -5.43591e+01    5.54729e-06


DD  step 239264999 load imb.: force 19.4%  pme mesh/force 0.755
           Step           Time
      239265000   478530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94955e+03    1.97523e+04    1.30491e+04    1.17927e+03   -3.10598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00155e+03    9.30808e+04    4.00225e+05   -2.33876e+04   -2.97469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64553e+04   -2.44449e+06    4.81185e+05   -1.96331e+06    2.55136e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11961e+02   -2.07311e+02    9.15784e+01    5.63180e-06


DD  step 239269999 load imb.: force 15.5%  pme mesh/force 0.739
           Step           Time
      239270000   478540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93123e+03    1.96832e+04    1.33385e+04    1.17275e+03   -3.11108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81779e+03    9.26389e+04    4.02443e+05   -2.34149e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65762e+04   -2.44534e+06    4.78360e+05   -1.96698e+06    2.55141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10130e+02   -2.07796e+02    1.25022e+02    5.41900e-06


DD  step 239274999 load imb.: force 17.5%  pme mesh/force 0.724
           Step           Time
      239275000   478550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99803e+03    1.97237e+04    1.30783e+04    1.06779e+03   -3.08851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89407e+03    9.24450e+04    4.04452e+05   -2.34016e+04   -2.98098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64480e+04   -2.44737e+06    4.80575e+05   -1.96679e+06    2.55147e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11565e+02   -2.07559e+02    1.63049e+02    5.51644e-06


DD  step 239279999 load imb.: force 17.0%  pme mesh/force 0.743
           Step           Time
      239280000   478560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04366e+03    1.97220e+04    1.30570e+04    1.20494e+03   -3.00659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88556e+03    9.26824e+04    3.99622e+05   -2.33726e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66362e+04   -2.44590e+06    4.80044e+05   -1.96585e+06    2.55153e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11221e+02   -2.07045e+02    2.82369e+01    5.49198e-06


DD  step 239284999 load imb.: force 16.5%  pme mesh/force 0.744
           Step           Time
      239285000   478570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68874e+03    1.92480e+04    1.30699e+04    1.13494e+03   -2.96057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76183e+03    9.31402e+04    4.03175e+05   -2.33703e+04   -2.98203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65888e+04   -2.44956e+06    4.78791e+05   -1.97077e+06    2.55159e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10409e+02   -2.07005e+02    4.36404e+01    5.41366e-06


DD  step 239289999 load imb.: force 18.5%  pme mesh/force 0.732
           Step           Time
      239290000   478580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90538e+03    1.92421e+04    1.31432e+04    1.16558e+03   -2.99520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91826e+03    9.29753e+04    4.00413e+05   -2.34067e+04   -2.97503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65964e+04   -2.44507e+06    4.79960e+05   -1.96511e+06    2.55165e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11167e+02   -2.07649e+02    3.72109e+01    5.54689e-06


DD  step 239294999 load imb.: force 17.7%  pme mesh/force 0.735
           Step           Time
      239295000   478590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04072e+03    1.96448e+04    1.30287e+04    1.13974e+03   -3.10146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87408e+03    9.25955e+04    4.00895e+05   -2.33860e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65926e+04   -2.44896e+06    4.79057e+05   -1.96991e+06    2.55170e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10582e+02   -2.07283e+02   -8.13895e+00    5.37623e-06


DD  step 239299999 load imb.: force 16.6%  pme mesh/force 0.728
           Step           Time
      239300000   478600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83063e+03    1.93273e+04    1.28845e+04    1.18922e+03   -3.10038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99861e+03    9.26562e+04    4.02655e+05   -2.33713e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63059e+04   -2.44748e+06    4.77913e+05   -1.96957e+06    2.55176e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09839e+02   -2.07023e+02    8.72227e+01    5.44803e-06


DD  step 239304999 load imb.: force 17.6%  pme mesh/force 0.741
           Step           Time
      239305000   478610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83641e+03    2.00191e+04    1.32445e+04    1.12638e+03   -3.14849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87417e+03    9.26397e+04    3.99943e+05   -2.33971e+04   -2.97417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63255e+04   -2.44471e+06    4.80110e+05   -1.96460e+06    2.55182e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11264e+02   -2.07479e+02    4.59241e+01    5.44565e-06


DD  step 239309999 load imb.: force 17.8%  pme mesh/force 0.732
           Step           Time
      239310000   478620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16732e+03    1.92973e+04    1.32999e+04    1.23072e+03   -3.11380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86663e+03    9.26649e+04    4.00002e+05   -2.33608e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62484e+04   -2.44554e+06    4.80339e+05   -1.96520e+06    2.55187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11413e+02   -2.06838e+02   -4.01870e+01    5.51544e-06


DD  step 239314999 load imb.: force 18.4%  pme mesh/force 0.729
           Step           Time
      239315000   478630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85668e+03    1.94762e+04    1.30176e+04    1.16205e+03   -3.02062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78583e+03    9.26830e+04    4.00943e+05   -2.33944e+04   -2.97821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63455e+04   -2.44835e+06    4.79559e+05   -1.96879e+06    2.55192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.07432e+02    1.39580e+01    5.47151e-06


DD  step 239319999 load imb.: force 18.9%  pme mesh/force 0.741
           Step           Time
      239320000   478640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23954e+03    1.95808e+04    1.30286e+04    1.18704e+03   -3.12311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79499e+03    9.26334e+04    4.01342e+05   -2.33774e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66051e+04   -2.44470e+06    4.78747e+05   -1.96596e+06    2.55199e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10380e+02   -2.07132e+02    4.30396e+01    5.39759e-06


DD  step 239324999 load imb.: force 17.7%  pme mesh/force 0.715
           Step           Time
      239325000   478650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77653e+03    1.96832e+04    1.32615e+04    1.20234e+03   -3.07306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85128e+03    9.31066e+04    4.02190e+05   -2.33931e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66755e+04   -2.44514e+06    4.81025e+05   -1.96411e+06    2.55204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11857e+02   -2.07409e+02    1.13736e+02    5.46322e-06


DD  step 239329999 load imb.: force 18.4%  pme mesh/force 0.729
           Step           Time
      239330000   478660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87897e+03    1.96107e+04    1.30615e+04    1.13392e+03   -3.06668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84429e+03    9.24519e+04    4.01004e+05   -2.33690e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64694e+04   -2.44520e+06    4.82379e+05   -1.96282e+06    2.55210e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12735e+02   -2.06981e+02    1.03108e+01    5.38376e-06


DD  step 239334999 load imb.: force 17.4%  pme mesh/force 0.724
           Step           Time
      239335000   478670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95226e+03    1.92673e+04    1.31375e+04    1.21865e+03   -3.09958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93476e+03    9.28351e+04    3.99410e+05   -2.34198e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65675e+04   -2.44680e+06    4.80717e+05   -1.96609e+06    2.55216e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11657e+02   -2.07882e+02    2.80343e+01    5.49455e-06


DD  step 239339999 load imb.: force 17.7%  pme mesh/force 0.728
           Step           Time
      239340000   478680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85244e+03    1.96518e+04    1.30806e+04    1.20228e+03   -3.10593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87993e+03    9.33046e+04    4.01343e+05   -2.33445e+04   -2.97866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65927e+04   -2.44720e+06    4.80079e+05   -1.96712e+06    2.55222e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11244e+02   -2.06549e+02   -4.89763e+01    5.46054e-06


DD  step 239344999 load imb.: force 17.3%  pme mesh/force 0.750
           Step           Time
      239345000   478690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10647e+03    1.96489e+04    1.30683e+04    1.21617e+03   -3.09480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85994e+03    9.31053e+04    4.03593e+05   -2.33977e+04   -2.98169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64456e+04   -2.44814e+06    4.81976e+05   -1.96616e+06    2.55228e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12473e+02   -2.07490e+02    8.04088e+01    5.29217e-06


DD  step 239349999 load imb.: force 20.0%  pme mesh/force 0.755
           Step           Time
      239350000   478700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06435e+03    1.94314e+04    1.30585e+04    1.15451e+03   -2.96197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74691e+03    9.22628e+04    3.98678e+05   -2.33816e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63803e+04   -2.44725e+06    4.78627e+05   -1.96862e+06    2.55233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10302e+02   -2.07206e+02   -6.08085e+01    5.28883e-06


DD  step 239354999 load imb.: force 17.5%  pme mesh/force 0.777
           Step           Time
      239355000   478710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13291e+03    1.94592e+04    1.32509e+04    1.17478e+03   -3.10279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81246e+03    9.26670e+04    4.01865e+05   -2.34279e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62638e+04   -2.44777e+06    4.80096e+05   -1.96768e+06    2.55239e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11255e+02   -2.08025e+02    1.92782e+01    5.29257e-06


DD  step 239359999 load imb.: force 18.5%  pme mesh/force 0.713
           Step           Time
      239360000   478720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10919e+03    1.95437e+04    1.31193e+04    1.20196e+03   -3.06152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93300e+03    9.30304e+04    4.00620e+05   -2.33753e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64400e+04   -2.44509e+06    4.78888e+05   -1.96620e+06    2.55245e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10472e+02   -2.07093e+02    4.37546e+01    5.53657e-06


DD  step 239364999 load imb.: force 17.8%  pme mesh/force 0.751
           Step           Time
      239365000   478730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80819e+03    1.94925e+04    1.32660e+04    1.11953e+03   -3.19269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90843e+03    9.28979e+04    3.99721e+05   -2.33682e+04   -2.97282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63832e+04   -2.44379e+06    4.78787e+05   -1.96500e+06    2.55251e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10406e+02   -2.06967e+02    7.14382e+01    5.44876e-06


DD  step 239369999 load imb.: force 16.0%  pme mesh/force 0.716
           Step           Time
      239370000   478740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79524e+03    1.95573e+04    1.30909e+04    1.16070e+03   -3.14177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85288e+03    9.29708e+04    3.99431e+05   -2.33556e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66756e+04   -2.44610e+06    4.77850e+05   -1.96825e+06    2.55257e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09799e+02   -2.06745e+02   -2.72184e+01    5.43111e-06


DD  step 239374999 load imb.: force 16.1%  pme mesh/force 0.751
           Step           Time
      239375000   478750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.62213e+03    1.96292e+04    1.30504e+04    1.13480e+03   -3.09898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96247e+03    9.32628e+04    3.99781e+05   -2.34114e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64378e+04   -2.44876e+06    4.81247e+05   -1.96751e+06    2.55262e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12001e+02   -2.07733e+02    1.99053e+01    5.31595e-06


DD  step 239379999 load imb.: force 16.5%  pme mesh/force 0.733
           Step           Time
      239380000   478760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82688e+03    1.97242e+04    1.32024e+04    1.17336e+03   -3.11154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70086e+03    9.33030e+04    4.02125e+05   -2.33740e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65807e+04   -2.44605e+06    4.80547e+05   -1.96550e+06    2.55268e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11547e+02   -2.07070e+02    8.12310e+01    5.59603e-06


DD  step 239384999 load imb.: force 16.4%  pme mesh/force 0.714
           Step           Time
      239385000   478770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09601e+03    1.94174e+04    1.29651e+04    1.13722e+03   -3.06479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87435e+03    9.27574e+04    4.02032e+05   -2.33381e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64920e+04   -2.44689e+06    4.78777e+05   -1.96811e+06    2.55274e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10399e+02   -2.06436e+02   -1.88392e+01    5.55219e-06


DD  step 239389999 load imb.: force 16.7%  pme mesh/force 0.729
           Step           Time
      239390000   478780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05321e+03    1.96962e+04    1.30694e+04    1.14337e+03   -3.06583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81596e+03    9.29713e+04    4.00357e+05   -2.33754e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63955e+04   -2.44872e+06    4.77916e+05   -1.97080e+06    2.55280e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09841e+02   -2.07095e+02   -6.22232e+01    5.35998e-06


DD  step 239394999 load imb.: force 20.9%  pme mesh/force 0.758
           Step           Time
      239395000   478790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10894e+03    1.94276e+04    1.30182e+04    1.21221e+03   -3.04024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89608e+03    9.29788e+04    4.00387e+05   -2.34184e+04   -2.97648e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64514e+04   -2.44646e+06    4.79299e+05   -1.96716e+06    2.55286e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.07857e+02    3.31439e+01    5.49024e-06


DD  step 239399999 load imb.: force 16.5%  pme mesh/force 0.745
           Step           Time
      239400000   478800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02411e+03    1.96889e+04    1.30124e+04    1.12330e+03   -3.02876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81383e+03    9.32264e+04    4.01380e+05   -2.33640e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63024e+04   -2.44669e+06    4.81608e+05   -1.96508e+06    2.55291e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12235e+02   -2.06894e+02   -9.69540e+00    5.40812e-06


DD  step 239404999 load imb.: force 17.4%  pme mesh/force 0.751
           Step           Time
      239405000   478810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81772e+03    1.92635e+04    1.29820e+04    1.16088e+03   -3.03692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85565e+03    9.37078e+04    4.01398e+05   -2.32929e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67205e+04   -2.44505e+06    4.79455e+05   -1.96560e+06    2.55297e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.05639e+02    2.09696e+01    5.50509e-06


DD  step 239409999 load imb.: force 19.9%  pme mesh/force 0.763
           Step           Time
      239410000   478820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78025e+03    1.95812e+04    1.31270e+04    1.21506e+03   -3.11880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76438e+03    9.33900e+04    4.02056e+05   -2.33839e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63365e+04   -2.44750e+06    4.79037e+05   -1.96846e+06    2.55303e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10568e+02   -2.07246e+02    3.47317e+01    5.38216e-06


DD  step 239414999 load imb.: force 16.4%  pme mesh/force 0.715
           Step           Time
      239415000   478830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20782e+03    1.98163e+04    1.30545e+04    1.25293e+03   -3.21585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85384e+03    9.27007e+04    3.99674e+05   -2.34036e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66010e+04   -2.44650e+06    4.77547e+05   -1.96895e+06    2.55310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09603e+02   -2.07594e+02    2.59059e+01    5.32545e-06


DD  step 239419999 load imb.: force 15.6%  pme mesh/force 0.720
           Step           Time
      239420000   478840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99631e+03    1.91758e+04    1.29937e+04    1.07983e+03   -3.13389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96442e+03    9.27450e+04    4.04061e+05   -2.34166e+04   -2.98108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64345e+04   -2.44818e+06    4.80064e+05   -1.96811e+06    2.55315e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11234e+02   -2.07825e+02    1.00613e+02    5.50120e-06

Writing checkpoint, step 239420050 at Wed Nov  8 10:01:28 2023



DD  step 239424999 load imb.: force 16.7%  pme mesh/force 0.744
           Step           Time
      239425000   478850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29495e+03    1.95271e+04    1.29414e+04    1.16353e+03   -2.94844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86991e+03    9.28600e+04    3.99275e+05   -2.33088e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66823e+04   -2.44436e+06    4.79637e+05   -1.96472e+06    2.55321e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10957e+02   -2.05918e+02   -3.48184e+01    5.51723e-06


DD  step 239429999 load imb.: force 16.1%  pme mesh/force 0.719
           Step           Time
      239430000   478860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04151e+03    1.93025e+04    1.31936e+04    1.15443e+03   -3.01666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85721e+03    9.26484e+04    3.99237e+05   -2.33640e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65667e+04   -2.44726e+06    4.78815e+05   -1.96845e+06    2.55326e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10424e+02   -2.06894e+02   -5.22979e+01    5.34319e-06


DD  step 239434999 load imb.: force 16.7%  pme mesh/force 0.715
           Step           Time
      239435000   478870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07567e+03    1.96920e+04    1.31707e+04    1.26804e+03   -3.02666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83508e+03    9.26482e+04    4.01423e+05   -2.33703e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65451e+04   -2.44428e+06    4.78234e+05   -1.96605e+06    2.55332e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10048e+02   -2.07005e+02    2.90543e+01    5.68456e-06


DD  step 239439999 load imb.: force 16.0%  pme mesh/force 0.727
           Step           Time
      239440000   478880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98037e+03    1.96353e+04    1.30170e+04    1.18124e+03   -3.02943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88830e+03    9.26940e+04    4.02693e+05   -2.33966e+04   -2.97997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66729e+04   -2.44763e+06    4.78450e+05   -1.96918e+06    2.55338e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10188e+02   -2.07471e+02    6.26670e+01    5.47901e-06


DD  step 239444999 load imb.: force 18.9%  pme mesh/force 0.788
           Step           Time
      239445000   478890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74931e+03    1.97509e+04    1.30699e+04    1.22135e+03   -3.03658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95475e+03    9.27637e+04    4.02311e+05   -2.34464e+04   -2.98146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66098e+04   -2.44951e+06    4.77747e+05   -1.97177e+06    2.55345e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09732e+02   -2.08353e+02    8.31420e+01    5.43678e-06


DD  step 239449999 load imb.: force 17.7%  pme mesh/force 0.766
           Step           Time
      239450000   478900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76052e+03    1.93356e+04    1.30499e+04    1.22478e+03   -3.11855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90817e+03    9.29233e+04    3.99558e+05   -2.33455e+04   -2.97496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65916e+04   -2.44607e+06    4.78839e+05   -1.96723e+06    2.55350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10440e+02   -2.06567e+02   -7.69592e+00    5.47621e-06


DD  step 239454999 load imb.: force 18.5%  pme mesh/force 0.748
           Step           Time
      239455000   478910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03760e+03    1.94211e+04    1.30827e+04    1.20324e+03   -3.10947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99385e+03    9.26364e+04    3.99370e+05   -2.34625e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64598e+04   -2.44845e+06    4.80117e+05   -1.96833e+06    2.55356e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11269e+02   -2.08640e+02    3.61691e+01    5.44735e-06


DD  step 239459999 load imb.: force 16.9%  pme mesh/force 0.757
           Step           Time
      239460000   478920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93813e+03    1.90373e+04    1.30468e+04    1.18507e+03   -3.07957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95015e+03    9.30866e+04    4.00345e+05   -2.34273e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64647e+04   -2.44854e+06    4.79677e+05   -1.96886e+06    2.55361e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10983e+02   -2.08014e+02    1.54591e+01    5.50878e-06


DD  step 239464999 load imb.: force 16.1%  pme mesh/force 0.772
           Step           Time
      239465000   478930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04175e+03    1.94171e+04    1.30299e+04    1.27117e+03   -3.11418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94824e+03    9.22745e+04    4.01826e+05   -2.33805e+04   -2.97872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64777e+04   -2.44793e+06    4.81909e+05   -1.96602e+06    2.55367e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12430e+02   -2.07185e+02    3.49073e+01    5.60324e-06


DD  step 239469999 load imb.: force 16.6%  pme mesh/force 0.728
           Step           Time
      239470000   478940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94413e+03    1.93433e+04    1.31673e+04    1.15339e+03   -3.03410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81245e+03    9.28816e+04    4.01115e+05   -2.33715e+04   -2.97568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65046e+04   -2.44517e+06    4.80372e+05   -1.96480e+06    2.55373e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11434e+02   -2.07026e+02    2.36792e+01    5.48763e-06


DD  step 239474999 load imb.: force 16.7%  pme mesh/force 0.755
           Step           Time
      239475000   478950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12295e+03    1.96114e+04    1.30681e+04    1.16995e+03   -3.07566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80985e+03    9.24085e+04    4.01172e+05   -2.33819e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64937e+04   -2.44759e+06    4.81528e+05   -1.96606e+06    2.55379e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12183e+02   -2.07210e+02    2.57037e+01    5.43451e-06


DD  step 239479999 load imb.: force 15.7%  pme mesh/force 0.721
           Step           Time
      239480000   478960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96846e+03    1.96053e+04    1.31424e+04    1.14393e+03   -3.12376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93600e+03    9.28477e+04    4.01354e+05   -2.34018e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64502e+04   -2.44538e+06    4.80960e+05   -1.96442e+06    2.55384e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11815e+02   -2.07562e+02    8.13702e+01    5.51521e-06


DD  step 239484999 load imb.: force 16.9%  pme mesh/force 0.742
           Step           Time
      239485000   478970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98290e+03    1.97007e+04    1.31273e+04    1.17339e+03   -3.09809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79369e+03    9.29335e+04    4.02319e+05   -2.33893e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63368e+04   -2.44641e+06    4.79263e+05   -1.96715e+06    2.55390e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.07341e+02    5.16962e+01    5.44470e-06


DD  step 239489999 load imb.: force 16.9%  pme mesh/force 0.742
           Step           Time
      239490000   478980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04551e+03    1.94539e+04    1.30493e+04    1.26733e+03   -3.11680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76771e+03    9.30559e+04    4.00041e+05   -2.34154e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64287e+04   -2.44794e+06    4.81151e+05   -1.96679e+06    2.55396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11939e+02   -2.07803e+02    1.75067e+01    5.46806e-06


DD  step 239494999 load imb.: force 16.2%  pme mesh/force 0.739
           Step           Time
      239495000   478990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82263e+03    1.93776e+04    1.31262e+04    1.21813e+03   -3.03284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83752e+03    9.27256e+04    3.99229e+05   -2.33835e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64908e+04   -2.44758e+06    4.79379e+05   -1.96820e+06    2.55401e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10790e+02   -2.07239e+02   -3.21153e+01    5.47689e-06


DD  step 239499999 load imb.: force 17.2%  pme mesh/force 0.734
           Step           Time
      239500000   479000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90855e+03    1.93929e+04    1.31111e+04    1.21886e+03   -3.13412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97083e+03    9.33483e+04    3.99568e+05   -2.33807e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65664e+04   -2.44541e+06    4.79244e+05   -1.96616e+06    2.55408e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10702e+02   -2.07190e+02    7.50893e+01    5.60439e-06


DD  step 239504999 load imb.: force 19.1%  pme mesh/force 0.771
           Step           Time
      239505000   479010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98288e+03    1.97288e+04    1.30968e+04    1.15519e+03   -3.01818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81548e+03    9.28795e+04    4.01218e+05   -2.33476e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64946e+04   -2.44522e+06    4.81962e+05   -1.96326e+06    2.55413e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12464e+02   -2.06603e+02    5.59508e+01    5.54839e-06


DD  step 239509999 load imb.: force 17.2%  pme mesh/force 0.723
           Step           Time
      239510000   479020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95320e+03    1.97071e+04    1.29822e+04    1.12578e+03   -3.11095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92803e+03    9.22409e+04    3.98434e+05   -2.33900e+04   -2.97334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64297e+04   -2.44604e+06    4.79331e+05   -1.96671e+06    2.55419e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.07353e+02   -4.29124e+01    5.58071e-06


DD  step 239514999 load imb.: force 17.5%  pme mesh/force 0.765
           Step           Time
      239515000   479030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06311e+03    1.94634e+04    1.30462e+04    1.15498e+03   -3.18527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81614e+03    9.26829e+04    3.98340e+05   -2.33606e+04   -2.97334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66832e+04   -2.44564e+06    4.78026e+05   -1.96761e+06    2.55425e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09913e+02   -2.06834e+02   -5.84772e+01    5.48823e-06


DD  step 239519999 load imb.: force 15.1%  pme mesh/force 0.741
           Step           Time
      239520000   479040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03714e+03    1.91752e+04    1.31425e+04    1.17747e+03   -3.15886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90778e+03    9.29789e+04    4.02007e+05   -2.34374e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62982e+04   -2.44877e+06    4.79486e+05   -1.96928e+06    2.55431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.08195e+02    5.65098e+01    5.35481e-06


DD  step 239524999 load imb.: force 16.2%  pme mesh/force 0.710
           Step           Time
      239525000   479050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00751e+03    1.94180e+04    1.31853e+04    1.13997e+03   -3.03499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94671e+03    9.24290e+04    4.00070e+05   -2.34367e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65503e+04   -2.44622e+06    4.79221e+05   -1.96700e+06    2.55436e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10687e+02   -2.08182e+02    2.38695e+01    5.37769e-06


DD  step 239529999 load imb.: force 17.9%  pme mesh/force 0.757
           Step           Time
      239530000   479060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20232e+03    1.91947e+04    1.30672e+04    1.16998e+03   -3.17297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73462e+03    9.28135e+04    4.01432e+05   -2.34028e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65446e+04   -2.44629e+06    4.77724e+05   -1.96857e+06    2.55442e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09717e+02   -2.07581e+02    2.15806e+01    5.36252e-06


DD  step 239534999 load imb.: force 17.6%  pme mesh/force 0.762
           Step           Time
      239535000   479070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94457e+03    1.95415e+04    1.28942e+04    1.11126e+03   -3.08705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82822e+03    9.28743e+04    3.99838e+05   -2.33961e+04   -2.97396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65964e+04   -2.44481e+06    4.78823e+05   -1.96599e+06    2.55448e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10430e+02   -2.07462e+02    1.25360e+01    5.50383e-06


DD  step 239539999 load imb.: force 16.4%  pme mesh/force 0.763
           Step           Time
      239540000   479080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92322e+03    1.93751e+04    1.31406e+04    1.16503e+03   -3.05759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87199e+03    9.29464e+04    4.00431e+05   -2.33581e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66188e+04   -2.44487e+06    4.80924e+05   -1.96395e+06    2.55453e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11791e+02   -2.06789e+02    8.58505e+00    5.47776e-06


DD  step 239544999 load imb.: force 16.1%  pme mesh/force 0.755
           Step           Time
      239545000   479090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98033e+03    1.95536e+04    1.29433e+04    1.15199e+03   -3.20352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99127e+03    9.23071e+04    4.02775e+05   -2.34203e+04   -2.98154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64097e+04   -2.45005e+06    4.79711e+05   -1.97034e+06    2.55459e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11005e+02   -2.07891e+02    8.62235e+01    5.49209e-06


DD  step 239549999 load imb.: force 15.3%  pme mesh/force 0.732
           Step           Time
      239550000   479100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11568e+03    1.95425e+04    1.30319e+04    1.23980e+03   -3.06594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73157e+03    9.28051e+04    3.98982e+05   -2.33615e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64766e+04   -2.44660e+06    4.82375e+05   -1.96423e+06    2.55464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12732e+02   -2.06849e+02   -9.50953e+01    5.55388e-06


DD  step 239554999 load imb.: force 16.9%  pme mesh/force 0.723
           Step           Time
      239555000   479110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16949e+03    1.92900e+04    1.31467e+04    1.16558e+03   -3.10913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81066e+03    9.23596e+04    4.04586e+05   -2.34416e+04   -2.98381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64040e+04   -2.45043e+06    4.79626e+05   -1.97081e+06    2.55471e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10950e+02   -2.08269e+02    1.17703e+02    5.46773e-06


DD  step 239559999 load imb.: force 16.3%  pme mesh/force 0.722
           Step           Time
      239560000   479120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91992e+03    1.92990e+04    1.32461e+04    1.18168e+03   -3.03393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83072e+03    9.25066e+04    4.01365e+05   -2.33738e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64080e+04   -2.44855e+06    4.79355e+05   -1.96920e+06    2.55476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10774e+02   -2.07068e+02   -1.34891e+01    5.30515e-06


DD  step 239564999 load imb.: force 15.8%  pme mesh/force 0.739
           Step           Time
      239565000   479130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07437e+03    1.95748e+04    1.29842e+04    1.08748e+03   -3.02411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74764e+03    9.29408e+04    3.99866e+05   -2.33767e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.60336e+04   -2.44904e+06    4.80618e+05   -1.96842e+06    2.55483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11593e+02   -2.07118e+02   -2.92444e+01    5.57093e-06


DD  step 239569999 load imb.: force 17.1%  pme mesh/force 0.752
           Step           Time
      239570000   479140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18653e+03    1.94573e+04    1.31157e+04    1.11510e+03   -3.17503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77879e+03    9.25808e+04    4.00311e+05   -2.33808e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66005e+04   -2.44748e+06    4.79792e+05   -1.96768e+06    2.55488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11058e+02   -2.07192e+02   -3.25365e+01    5.30088e-06


DD  step 239574999 load imb.: force 19.5%  pme mesh/force 0.753
           Step           Time
      239575000   479150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09626e+03    1.95044e+04    1.31367e+04    1.15869e+03   -3.11022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98025e+03    9.26036e+04    4.00950e+05   -2.33611e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64733e+04   -2.44957e+06    4.80041e+05   -1.96953e+06    2.55494e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11219e+02   -2.06842e+02    1.19066e+01    5.32021e-06


DD  step 239579999 load imb.: force 16.6%  pme mesh/force 0.730
           Step           Time
      239580000   479160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98597e+03    1.95616e+04    1.31276e+04    1.12279e+03   -3.02145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82540e+03    9.24543e+04    4.02400e+05   -2.33834e+04   -2.97875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65937e+04   -2.44708e+06    4.80999e+05   -1.96609e+06    2.55499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11840e+02   -2.07237e+02    5.28533e+01    5.47068e-06


DD  step 239584999 load imb.: force 18.4%  pme mesh/force 0.707
           Step           Time
      239585000   479170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82535e+03    1.97758e+04    1.33068e+04    1.16178e+03   -3.10739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85997e+03    9.22952e+04    4.02960e+05   -2.34504e+04   -2.98147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63369e+04   -2.44951e+06    4.78605e+05   -1.97090e+06    2.55505e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10288e+02   -2.08425e+02    9.40630e+01    5.38087e-06


DD  step 239589999 load imb.: force 16.8%  pme mesh/force 0.750
           Step           Time
      239590000   479180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16326e+03    1.93002e+04    1.31026e+04    1.22711e+03   -3.00479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86350e+03    9.27016e+04    4.00488e+05   -2.33617e+04   -2.97792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65703e+04   -2.44787e+06    4.79016e+05   -1.96885e+06    2.55511e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10555e+02   -2.06852e+02   -1.70779e+01    5.30195e-06


DD  step 239594999 load imb.: force 15.9%  pme mesh/force 0.751
           Step           Time
      239595000   479190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84428e+03    1.94601e+04    1.32131e+04    1.16875e+03   -3.08838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80846e+03    9.31501e+04    3.99188e+05   -2.34207e+04   -2.97834e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64500e+04   -2.44956e+06    4.76976e+05   -1.97259e+06    2.55516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09232e+02   -2.07897e+02   -3.76395e+01    5.29642e-06


DD  step 239599999 load imb.: force 16.6%  pme mesh/force 0.697
           Step           Time
      239600000   479200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88039e+03    1.96971e+04    1.31112e+04    1.14230e+03   -3.08221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94895e+03    9.27792e+04    3.97674e+05   -2.33870e+04   -2.97311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66093e+04   -2.44574e+06    4.77889e+05   -1.96785e+06    2.55523e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09824e+02   -2.07301e+02   -3.32879e+01    5.34667e-06


DD  step 239604999 load imb.: force 15.3%  pme mesh/force 0.699
           Step           Time
      239605000   479210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19074e+03    1.98432e+04    1.31819e+04    1.21411e+03   -3.15037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87057e+03    9.24345e+04    4.01332e+05   -2.34052e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64258e+04   -2.44444e+06    4.82829e+05   -1.96161e+06    2.55528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13027e+02   -2.07624e+02    7.14494e+01    5.33391e-06


DD  step 239609999 load imb.: force 16.1%  pme mesh/force 0.741
           Step           Time
      239610000   479220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13788e+03    1.93531e+04    1.32644e+04    1.20751e+03   -3.09978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90181e+03    9.28620e+04    4.00641e+05   -2.33747e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65728e+04   -2.44463e+06    4.79580e+05   -1.96505e+06    2.55533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10920e+02   -2.07082e+02    1.26244e+01    5.25077e-06


DD  step 239614999 load imb.: force 14.4%  pme mesh/force 0.726
           Step           Time
      239615000   479230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22865e+03    1.97209e+04    1.30339e+04    1.18476e+03   -3.17933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64060e+03    9.24976e+04    4.00398e+05   -2.34009e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64280e+04   -2.44779e+06    4.78577e+05   -1.96921e+06    2.55539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10270e+02   -2.07546e+02   -4.15244e+01    5.18557e-06


DD  step 239619999 load imb.: force 16.6%  pme mesh/force 0.727
           Step           Time
      239620000   479240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17005e+03    2.00251e+04    1.31510e+04    1.20128e+03   -3.02768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80235e+03    9.24932e+04    3.99745e+05   -2.33609e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65662e+04   -2.44629e+06    4.81151e+05   -1.96514e+06    2.55545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11939e+02   -2.06839e+02   -1.98410e+01    5.37537e-06


DD  step 239624999 load imb.: force 16.8%  pme mesh/force 0.733
           Step           Time
      239625000   479250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17887e+03    2.01429e+04    1.29605e+04    1.20388e+03   -3.07120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73538e+03    9.23913e+04    4.00261e+05   -2.33728e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65038e+04   -2.44715e+06    4.79331e+05   -1.96782e+06    2.55551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.07050e+02   -3.81790e+01    5.44839e-06


DD  step 239629999 load imb.: force 18.5%  pme mesh/force 0.781
           Step           Time
      239630000   479260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85257e+03    1.93933e+04    1.31523e+04    1.21077e+03   -3.07283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83163e+03    9.29140e+04    4.02105e+05   -2.34038e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64384e+04   -2.44592e+06    4.78070e+05   -1.96785e+06    2.55556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09941e+02   -2.07599e+02    6.67850e+01    5.38205e-06


DD  step 239634999 load imb.: force 15.9%  pme mesh/force 0.702
           Step           Time
      239635000   479270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97320e+03    1.97713e+04    1.30109e+04    1.19552e+03   -3.08468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74546e+03    9.25685e+04    4.01072e+05   -2.33561e+04   -2.97628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63916e+04   -2.44599e+06    4.80038e+05   -1.96596e+06    2.55561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11217e+02   -2.06754e+02    3.07368e+01    5.40985e-06


DD  step 239639999 load imb.: force 15.8%  pme mesh/force 0.739
           Step           Time
      239640000   479280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10314e+03    1.94238e+04    1.31055e+04    1.19134e+03   -3.00297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83652e+03    9.26090e+04    4.00319e+05   -2.33292e+04   -2.97355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64951e+04   -2.44380e+06    4.81385e+05   -1.96241e+06    2.55567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12090e+02   -2.06278e+02   -3.97073e+01    5.35980e-06


DD  step 239644999 load imb.: force 15.4%  pme mesh/force 0.702
           Step           Time
      239645000   479290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04948e+03    1.97472e+04    1.31740e+04    1.25417e+03   -3.09045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73659e+03    9.26895e+04    4.00057e+05   -2.33723e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67485e+04   -2.44511e+06    4.81849e+05   -1.96326e+06    2.55573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12391e+02   -2.07041e+02   -9.30891e+00    5.54044e-06


DD  step 239649999 load imb.: force 16.2%  pme mesh/force 0.733
           Step           Time
      239650000   479300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07789e+03    1.90450e+04    1.30426e+04    1.10698e+03   -3.07766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80585e+03    9.29069e+04    4.00309e+05   -2.33766e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66615e+04   -2.44779e+06    4.77328e+05   -1.97046e+06    2.55579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09460e+02   -2.07117e+02   -5.99385e+00    5.27030e-06


DD  step 239654999 load imb.: force 17.3%  pme mesh/force 0.753
           Step           Time
      239655000   479310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03218e+03    1.94495e+04    1.29587e+04    1.24381e+03   -3.09442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70297e+03    9.25581e+04    4.03821e+05   -2.34064e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64601e+04   -2.44639e+06    4.80039e+05   -1.96635e+06    2.55585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.07645e+02    5.36613e+01    5.36929e-06


DD  step 239659999 load imb.: force 18.5%  pme mesh/force 0.779
           Step           Time
      239660000   479320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16939e+03    1.94149e+04    1.28895e+04    1.18589e+03   -3.08252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88678e+03    9.32218e+04    3.98424e+05   -2.33704e+04   -2.97266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64032e+04   -2.44452e+06    4.79944e+05   -1.96457e+06    2.55591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11156e+02   -2.07006e+02   -2.51836e+01    5.47665e-06


DD  step 239664999 load imb.: force 17.2%  pme mesh/force 0.745
           Step           Time
      239665000   479330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08469e+03    1.92898e+04    1.31925e+04    1.24772e+03   -3.10384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73443e+03    9.33088e+04    3.99211e+05   -2.33475e+04   -2.97478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63935e+04   -2.44577e+06    4.79357e+05   -1.96641e+06    2.55596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10776e+02   -2.06602e+02   -1.05942e+02    5.44740e-06


DD  step 239669999 load imb.: force 16.0%  pme mesh/force 0.738
           Step           Time
      239670000   479340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91577e+03    1.95463e+04    1.31497e+04    1.09272e+03   -3.12860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76148e+03    9.27869e+04    3.98269e+05   -2.33899e+04   -2.97560e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64782e+04   -2.44812e+06    4.78563e+05   -1.96956e+06    2.55602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10261e+02   -2.07353e+02   -9.01494e+01    5.32236e-06


DD  step 239674999 load imb.: force 17.8%  pme mesh/force 0.756
           Step           Time
      239675000   479350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03928e+03    1.93813e+04    1.30451e+04    1.19109e+03   -2.96815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77797e+03    9.26599e+04    4.04988e+05   -2.33454e+04   -2.98494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62683e+04   -2.45090e+06    4.79666e+05   -1.97124e+06    2.55608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10976e+02   -2.06566e+02    6.04528e+01    5.36965e-06


DD  step 239679999 load imb.: force 16.7%  pme mesh/force 0.765
           Step           Time
      239680000   479360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22911e+03    1.98427e+04    1.30067e+04    1.19504e+03   -3.14858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83349e+03    9.25364e+04    4.00786e+05   -2.34016e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64992e+04   -2.44549e+06    4.80359e+05   -1.96513e+06    2.55614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11425e+02   -2.07559e+02    1.01837e+01    5.28827e-06


DD  step 239684999 load imb.: force 15.9%  pme mesh/force 0.729
           Step           Time
      239685000   479370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94575e+03    1.96665e+04    1.32648e+04    1.20845e+03   -2.99911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81995e+03    9.24813e+04    4.00678e+05   -2.33767e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65043e+04   -2.44864e+06    4.81753e+05   -1.96688e+06    2.55619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12329e+02   -2.07118e+02   -5.39474e-01    5.33004e-06


DD  step 239689999 load imb.: force 16.9%  pme mesh/force 0.708
           Step           Time
      239690000   479380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87019e+03    1.98199e+04    1.29723e+04    1.22308e+03   -3.15282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01222e+03    9.25215e+04    4.01553e+05   -2.33322e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65157e+04   -2.44449e+06    4.80862e+05   -1.96363e+06    2.55625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11751e+02   -2.06331e+02    7.67103e+01    5.21815e-06


DD  step 239694999 load imb.: force 16.6%  pme mesh/force 0.713
           Step           Time
      239695000   479390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14326e+03    1.95091e+04    1.30411e+04    1.19773e+03   -3.07131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84820e+03    9.33746e+04    4.02942e+05   -2.33754e+04   -2.98024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65010e+04   -2.44713e+06    4.80811e+05   -1.96632e+06    2.55631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11718e+02   -2.07096e+02    5.42756e+01    5.27819e-06


DD  step 239699999 load imb.: force 17.5%  pme mesh/force 0.733
           Step           Time
      239700000   479400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35448e+03    1.93026e+04    1.30368e+04    1.12280e+03   -3.13551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78561e+03    9.30490e+04    3.99259e+05   -2.33961e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65563e+04   -2.44901e+06    4.82315e+05   -1.96670e+06    2.55637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12693e+02   -2.07463e+02   -7.47703e+01    5.37772e-06


DD  step 239704999 load imb.: force 18.0%  pme mesh/force 0.727
           Step           Time
      239705000   479410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90413e+03    1.92544e+04    1.31294e+04    1.19456e+03   -3.08028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87184e+03    9.27697e+04    4.01790e+05   -2.33780e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66039e+04   -2.44887e+06    4.80770e+05   -1.96810e+06    2.55642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11692e+02   -2.07142e+02    4.07396e+01    5.41088e-06


DD  step 239709999 load imb.: force 16.4%  pme mesh/force 0.740
           Step           Time
      239710000   479420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09483e+03    1.95885e+04    1.31120e+04    1.25661e+03   -3.21314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82736e+03    9.30125e+04    4.03768e+05   -2.33795e+04   -2.98023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63848e+04   -2.44678e+06    4.79474e+05   -1.96730e+06    2.55648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10852e+02   -2.07167e+02    9.46067e+01    5.40599e-06


DD  step 239714999 load imb.: force 15.7%  pme mesh/force 0.744
           Step           Time
      239715000   479430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01009e+03    1.92444e+04    1.28842e+04    1.17921e+03   -3.10355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89143e+03    9.30469e+04    4.01347e+05   -2.33602e+04   -2.97915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65896e+04   -2.44843e+06    4.78793e+05   -1.96963e+06    2.55654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10410e+02   -2.06826e+02   -3.42889e+01    5.33765e-06


DD  step 239719999 load imb.: force 16.9%  pme mesh/force 0.729
           Step           Time
      239720000   479440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02949e+03    1.94113e+04    1.29315e+04    1.19723e+03   -2.99474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72088e+03    9.26078e+04    3.98214e+05   -2.33386e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64847e+04   -2.44745e+06    4.79137e+05   -1.96832e+06    2.55660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10633e+02   -2.06445e+02   -1.12840e+02    5.24475e-06


DD  step 239724999 load imb.: force 18.0%  pme mesh/force 0.702
           Step           Time
      239725000   479450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92682e+03    1.94785e+04    1.30971e+04    1.26173e+03   -3.00382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82541e+03    9.30893e+04    3.98340e+05   -2.33958e+04   -2.97276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63329e+04   -2.44481e+06    4.79726e+05   -1.96508e+06    2.55665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11015e+02   -2.07456e+02   -1.47818e+01    5.37957e-06


DD  step 239729999 load imb.: force 17.6%  pme mesh/force 0.739
           Step           Time
      239730000   479460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96209e+03    1.98722e+04    1.32080e+04    1.13393e+03   -3.00803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92198e+03    9.27132e+04    3.99415e+05   -2.33764e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65103e+04   -2.44673e+06    4.84536e+05   -1.96220e+06    2.55671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.14133e+02   -2.07114e+02   -1.07015e+01    5.19092e-06


DD  step 239734999 load imb.: force 17.2%  pme mesh/force 0.746
           Step           Time
      239735000   479470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20978e+03    1.98382e+04    1.29929e+04    1.15492e+03   -2.98318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86950e+03    9.26866e+04    3.96513e+05   -2.33540e+04   -2.96956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64995e+04   -2.44313e+06    4.80895e+05   -1.96224e+06    2.55677e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11773e+02   -2.06717e+02   -7.04334e+01    5.43220e-06


DD  step 239739999 load imb.: force 16.7%  pme mesh/force 0.764
           Step           Time
      239740000   479480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05795e+03    1.94037e+04    1.29893e+04    1.22294e+03   -2.85883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87394e+03    9.29271e+04    3.96437e+05   -2.33536e+04   -2.97254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66278e+04   -2.44621e+06    4.79510e+05   -1.96670e+06    2.55683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10875e+02   -2.06709e+02   -1.47246e+02    5.37632e-06


DD  step 239744999 load imb.: force 16.9%  pme mesh/force 0.767
           Step           Time
      239745000   479490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93001e+03    1.95960e+04    1.31615e+04    1.16504e+03   -3.03112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87485e+03    9.28190e+04    3.98263e+05   -2.34046e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65200e+04   -2.44660e+06    4.80508e+05   -1.96610e+06    2.55689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11522e+02   -2.07613e+02   -1.87110e+01    5.32929e-06


DD  step 239749999 load imb.: force 15.0%  pme mesh/force 0.718
           Step           Time
      239750000   479500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18105e+03    1.95675e+04    1.30261e+04    1.30136e+03   -2.98035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.03066e+03    9.25755e+04    4.03308e+05   -2.34316e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66049e+04   -2.44614e+06    4.80556e+05   -1.96558e+06    2.55695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11553e+02   -2.08092e+02    1.64562e+02    5.23460e-06

Writing checkpoint, step 239751100 at Wed Nov  8 10:16:28 2023



DD  step 239754999 load imb.: force 16.7%  pme mesh/force 0.766
           Step           Time
      239755000   479510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72189e+03    1.96382e+04    1.29224e+04    1.22714e+03   -3.08884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86385e+03    9.31163e+04    3.99248e+05   -2.33963e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64678e+04   -2.44703e+06    4.77986e+05   -1.96905e+06    2.55700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09887e+02   -2.07465e+02   -3.95000e+01    5.36844e-06


DD  step 239759999 load imb.: force 17.5%  pme mesh/force 0.778
           Step           Time
      239760000   479520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01736e+03    1.94600e+04    1.30364e+04    1.20019e+03   -2.91406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81963e+03    9.23981e+04    3.96846e+05   -2.33294e+04   -2.97184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63403e+04   -2.44596e+06    4.79851e+05   -1.96611e+06    2.55705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11096e+02   -2.06282e+02   -1.19114e+02    5.37404e-06


DD  step 239764999 load imb.: force 15.8%  pme mesh/force 0.732
           Step           Time
      239765000   479530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96998e+03    1.95912e+04    1.29715e+04    1.16412e+03   -2.97509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93350e+03    9.27203e+04    4.03007e+05   -2.34413e+04   -2.98007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65760e+04   -2.44755e+06    4.78697e+05   -1.96885e+06    2.55712e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10348e+02   -2.08263e+02    1.35052e+02    5.31535e-06


DD  step 239769999 load imb.: force 17.7%  pme mesh/force 0.746
           Step           Time
      239770000   479540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96527e+03    1.95978e+04    1.29972e+04    1.13770e+03   -3.04122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67151e+03    9.25650e+04    3.96751e+05   -2.33406e+04   -2.97228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63764e+04   -2.44660e+06    4.76594e+05   -1.97001e+06    2.55718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08984e+02   -2.06480e+02   -1.46108e+02    5.40932e-06


DD  step 239774999 load imb.: force 14.9%  pme mesh/force 0.731
           Step           Time
      239775000   479550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89414e+03    1.95864e+04    1.30765e+04    1.16873e+03   -3.03430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81170e+03    9.26078e+04    4.00246e+05   -2.33800e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64513e+04   -2.44892e+06    4.79687e+05   -1.96923e+06    2.55723e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10990e+02   -2.07177e+02   -2.78655e+01    5.48010e-06


DD  step 239779999 load imb.: force 16.9%  pme mesh/force 0.731
           Step           Time
      239780000   479560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16324e+03    1.93011e+04    1.32179e+04    1.09804e+03   -3.18113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83962e+03    9.26042e+04    4.03837e+05   -2.33854e+04   -2.97965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64393e+04   -2.44671e+06    4.79485e+05   -1.96723e+06    2.55729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.07272e+02    1.07126e+02    5.43205e-06


DD  step 239784999 load imb.: force 17.9%  pme mesh/force 0.767
           Step           Time
      239785000   479570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07314e+03    1.92418e+04    1.31577e+04    1.18826e+03   -3.13779e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82996e+03    9.34346e+04    4.00826e+05   -2.34237e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65139e+04   -2.44791e+06    4.79105e+05   -1.96881e+06    2.55735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10613e+02   -2.07952e+02    6.29315e+00    5.33544e-06


DD  step 239789999 load imb.: force 18.4%  pme mesh/force 0.777
           Step           Time
      239790000   479580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86948e+03    1.92386e+04    1.31048e+04    1.13938e+03   -2.89730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86452e+03    9.28464e+04    4.00823e+05   -2.33439e+04   -2.97985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66174e+04   -2.44959e+06    4.79034e+05   -1.97056e+06    2.55741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10566e+02   -2.06538e+02   -6.53123e+01    5.51677e-06


DD  step 239794999 load imb.: force 17.7%  pme mesh/force 0.749
           Step           Time
      239795000   479590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08805e+03    1.92986e+04    1.30852e+04    1.18245e+03   -2.95956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86446e+03    9.24809e+04    3.98256e+05   -2.34018e+04   -2.97441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67148e+04   -2.44680e+06    4.77803e+05   -1.96900e+06    2.55747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09768e+02   -2.07563e+02   -5.00303e+01    5.14610e-06


DD  step 239799999 load imb.: force 14.9%  pme mesh/force 0.729
           Step           Time
      239800000   479600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92500e+03    1.94532e+04    1.31093e+04    1.28228e+03   -2.92188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83455e+03    9.27062e+04    4.00079e+05   -2.33965e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63959e+04   -2.44625e+06    4.81961e+05   -1.96429e+06    2.55752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12464e+02   -2.07469e+02    4.88435e+00    5.23723e-06


DD  step 239804999 load imb.: force 16.8%  pme mesh/force 0.766
           Step           Time
      239805000   479610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04117e+03    1.98614e+04    1.29894e+04    1.16780e+03   -3.00790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74711e+03    9.21222e+04    3.98702e+05   -2.34069e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65008e+04   -2.44664e+06    4.81742e+05   -1.96490e+06    2.55758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12322e+02   -2.07653e+02   -5.19957e+01    5.23313e-06


DD  step 239809999 load imb.: force 17.1%  pme mesh/force 0.766
           Step           Time
      239810000   479620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00413e+03    1.96702e+04    1.31791e+04    1.19798e+03   -3.01406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90807e+03    9.26951e+04    3.98726e+05   -2.33597e+04   -2.97345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66719e+04   -2.44477e+06    4.81287e+05   -1.96348e+06    2.55764e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12027e+02   -2.06817e+02   -3.68836e+01    5.26123e-06


DD  step 239814999 load imb.: force 16.7%  pme mesh/force 0.753
           Step           Time
      239815000   479630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77428e+03    1.92295e+04    1.31520e+04    1.25044e+03   -3.08486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79969e+03    9.23971e+04    4.01425e+05   -2.33777e+04   -2.97987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65909e+04   -2.44972e+06    4.78492e+05   -1.97122e+06    2.55769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10215e+02   -2.07136e+02    1.50943e+01    5.18903e-06


DD  step 239819999 load imb.: force 17.1%  pme mesh/force 0.720
           Step           Time
      239820000   479640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95712e+03    1.93167e+04    1.31039e+04    1.23285e+03   -3.02358e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91989e+03    9.27860e+04    4.00240e+05   -2.33973e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67212e+04   -2.44590e+06    4.81929e+05   -1.96397e+06    2.55775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12443e+02   -2.07483e+02    2.59166e+01    5.29973e-06


DD  step 239824999 load imb.: force 16.9%  pme mesh/force 0.752
           Step           Time
      239825000   479650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92788e+03    1.93397e+04    1.31274e+04    1.16457e+03   -3.08012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94815e+03    9.27826e+04    3.98831e+05   -2.33391e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66633e+04   -2.44560e+06    4.79995e+05   -1.96561e+06    2.55781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.06453e+02   -7.48477e+01    5.32546e-06


DD  step 239829999 load imb.: force 16.4%  pme mesh/force 0.759
           Step           Time
      239830000   479660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93302e+03    1.95950e+04    1.31673e+04    1.22986e+03   -3.09418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90351e+03    9.23588e+04    4.01753e+05   -2.33944e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62946e+04   -2.44922e+06    4.79313e+05   -1.96990e+06    2.55787e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10747e+02   -2.07433e+02    6.12759e+00    5.17950e-06


DD  step 239834999 load imb.: force 16.8%  pme mesh/force 0.766
           Step           Time
      239835000   479670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99977e+03    1.95036e+04    1.30936e+04    1.21295e+03   -3.11235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82584e+03    9.24945e+04    4.02212e+05   -2.33623e+04   -2.97702e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63797e+04   -2.44578e+06    4.78400e+05   -1.96738e+06    2.55793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10155e+02   -2.06864e+02    5.86805e+01    5.45580e-06


DD  step 239839999 load imb.: force 18.6%  pme mesh/force 0.775
           Step           Time
      239840000   479680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12548e+03    1.94531e+04    1.32085e+04    1.07922e+03   -3.06291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80022e+03    9.22097e+04    3.98386e+05   -2.34063e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63245e+04   -2.44822e+06    4.79365e+05   -1.96885e+06    2.55799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10781e+02   -2.07642e+02   -6.79985e+01    5.43265e-06


DD  step 239844999 load imb.: force 17.3%  pme mesh/force 0.781
           Step           Time
      239845000   479690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98370e+03    1.97302e+04    1.32259e+04    1.19010e+03   -3.10186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81791e+03    9.23563e+04    3.98236e+05   -2.33500e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65674e+04   -2.44618e+06    4.78540e+05   -1.96764e+06    2.55804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10246e+02   -2.06647e+02   -4.88095e+01    5.31836e-06


DD  step 239849999 load imb.: force 16.5%  pme mesh/force 0.740
           Step           Time
      239850000   479700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75346e+03    1.93747e+04    1.29944e+04    1.20750e+03   -3.06766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85366e+03    9.28937e+04    4.00958e+05   -2.34397e+04   -2.98138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65410e+04   -2.45131e+06    4.79374e+05   -1.97194e+06    2.55810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.08234e+02    3.58634e+01    5.49334e-06


DD  step 239854999 load imb.: force 15.8%  pme mesh/force 0.730
           Step           Time
      239855000   479710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01619e+03    1.92550e+04    1.33202e+04    1.11714e+03   -3.12435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89801e+03    9.27614e+04    3.98687e+05   -2.33581e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65485e+04   -2.44668e+06    4.79544e+05   -1.96713e+06    2.55816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.06790e+02    6.81665e+00    5.42114e-06


DD  step 239859999 load imb.: force 16.5%  pme mesh/force 0.746
           Step           Time
      239860000   479720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09768e+03    1.94811e+04    1.31189e+04    1.08063e+03   -3.19783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81554e+03    9.28028e+04    4.01871e+05   -2.34405e+04   -2.97857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64225e+04   -2.44752e+06    4.79703e+05   -1.96782e+06    2.55822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11000e+02   -2.08249e+02    9.71862e+01    5.24747e-06


DD  step 239864999 load imb.: force 17.8%  pme mesh/force 0.741
           Step           Time
      239865000   479730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87895e+03    1.97899e+04    1.31671e+04    1.17819e+03   -3.00465e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82907e+03    9.24852e+04    3.98533e+05   -2.33257e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64388e+04   -2.44600e+06    4.78411e+05   -1.96759e+06    2.55828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10162e+02   -2.06217e+02   -7.82750e+01    5.45954e-06


DD  step 239869999 load imb.: force 15.7%  pme mesh/force 0.765
           Step           Time
      239870000   479740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04514e+03    1.96128e+04    1.29875e+04    1.20620e+03   -2.97554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79920e+03    9.22511e+04    3.97325e+05   -2.33333e+04   -2.97172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65018e+04   -2.44530e+06    4.80488e+05   -1.96481e+06    2.55833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11509e+02   -2.06352e+02   -8.51073e+01    5.39203e-06


DD  step 239874999 load imb.: force 17.9%  pme mesh/force 0.787
           Step           Time
      239875000   479750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71134e+03    1.92094e+04    1.29291e+04    1.19512e+03   -3.09428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86476e+03    9.30426e+04    4.01876e+05   -2.34171e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63534e+04   -2.44967e+06    4.77244e+05   -1.97242e+06    2.55839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09406e+02   -2.07834e+02    3.61185e+01    5.38271e-06


DD  step 239879999 load imb.: force 17.3%  pme mesh/force 0.759
           Step           Time
      239880000   479760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18608e+03    1.93062e+04    1.30668e+04    1.17446e+03   -3.06534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77841e+03    9.30211e+04    3.97725e+05   -2.34000e+04   -2.97136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65470e+04   -2.44402e+06    4.78643e+05   -1.96538e+06    2.55845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10313e+02   -2.07530e+02   -6.59960e+01    5.27913e-06


DD  step 239884999 load imb.: force 16.9%  pme mesh/force 0.724
           Step           Time
      239885000   479770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99711e+03    1.90216e+04    1.29994e+04    1.09385e+03   -2.99252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90996e+03    9.26378e+04    3.96648e+05   -2.33335e+04   -2.97134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64931e+04   -2.44586e+06    4.79122e+05   -1.96674e+06    2.55851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10623e+02   -2.06355e+02   -1.29953e+02    5.49706e-06


DD  step 239889999 load imb.: force 15.4%  pme mesh/force 0.731
           Step           Time
      239890000   479780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00614e+03    1.96545e+04    1.31550e+04    1.17820e+03   -2.98809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83791e+03    9.30580e+04    4.00251e+05   -2.33697e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65786e+04   -2.44400e+06    4.79456e+05   -1.96454e+06    2.55857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10840e+02   -2.06994e+02    1.62643e-01    5.18823e-06


DD  step 239894999 load imb.: force 15.5%  pme mesh/force 0.709
           Step           Time
      239895000   479790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00368e+03    1.91209e+04    1.30073e+04    1.16015e+03   -2.91313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86740e+03    9.29534e+04    4.00547e+05   -2.34021e+04   -2.97961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65142e+04   -2.44975e+06    4.80144e+05   -1.96961e+06    2.55862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11286e+02   -2.07569e+02   -9.71455e+00    5.42772e-06


DD  step 239899999 load imb.: force 17.6%  pme mesh/force 0.740
           Step           Time
      239900000   479800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95442e+03    1.92211e+04    1.31773e+04    1.17757e+03   -3.09783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92280e+03    9.31066e+04    4.01127e+05   -2.33172e+04   -2.97751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66937e+04   -2.44654e+06    4.78472e+05   -1.96807e+06    2.55868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10202e+02   -2.06067e+02   -3.28064e+01    5.50885e-06


DD  step 239904999 load imb.: force 16.2%  pme mesh/force 0.728
           Step           Time
      239905000   479810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84433e+03    1.97024e+04    1.31453e+04    1.19929e+03   -3.15859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72049e+03    9.21264e+04    3.97551e+05   -2.33575e+04   -2.97233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65890e+04   -2.44597e+06    4.78622e+05   -1.96734e+06    2.55874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10299e+02   -2.06779e+02   -1.26050e+02    5.48345e-06


DD  step 239909999 load imb.: force 18.1%  pme mesh/force 0.784
           Step           Time
      239910000   479820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07129e+03    1.93425e+04    1.29778e+04    1.12703e+03   -3.07406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81564e+03    9.34430e+04    4.00063e+05   -2.33609e+04   -2.97913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65890e+04   -2.44913e+06    4.78804e+05   -1.97033e+06    2.55880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10417e+02   -2.06840e+02   -9.17527e+01    5.35486e-06


DD  step 239914999 load imb.: force 16.3%  pme mesh/force 0.774
           Step           Time
      239915000   479830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14495e+03    1.93481e+04    1.30666e+04    1.14796e+03   -3.09232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94162e+03    9.29477e+04    3.95096e+05   -2.33281e+04   -2.97087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65117e+04   -2.44609e+06    4.79696e+05   -1.96639e+06    2.55886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10996e+02   -2.06260e+02   -2.01536e+02    5.20939e-06


DD  step 239919999 load imb.: force 17.0%  pme mesh/force 0.770
           Step           Time
      239920000   479840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24316e+03    1.93871e+04    1.29425e+04    1.25300e+03   -2.98235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91745e+03    9.27602e+04    4.00610e+05   -2.33451e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66176e+04   -2.44634e+06    4.79925e+05   -1.96641e+06    2.55892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11144e+02   -2.06559e+02    8.79625e+00    5.50979e-06


DD  step 239924999 load imb.: force 16.9%  pme mesh/force 0.773
           Step           Time
      239925000   479850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89077e+03    1.90558e+04    1.30986e+04    1.13784e+03   -3.07030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88492e+03    9.27772e+04    4.03041e+05   -2.33704e+04   -2.98038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65197e+04   -2.44841e+06    4.78102e+05   -1.97031e+06    2.55897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.07008e+02    9.35213e+01    5.45414e-06


DD  step 239929999 load imb.: force 15.5%  pme mesh/force 0.752
           Step           Time
      239930000   479860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09665e+03    1.94333e+04    1.31021e+04    1.16797e+03   -3.10618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86475e+03    9.26891e+04    4.01543e+05   -2.33633e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63866e+04   -2.44604e+06    4.80318e+05   -1.96573e+06    2.55903e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.06881e+02    1.76354e+01    5.32559e-06


DD  step 239934999 load imb.: force 17.3%  pme mesh/force 0.751
           Step           Time
      239935000   479870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14485e+03    1.97202e+04    1.30742e+04    1.24160e+03   -3.06612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78649e+03    9.25193e+04    4.00627e+05   -2.33547e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65717e+04   -2.44634e+06    4.79045e+05   -1.96730e+06    2.55909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10574e+02   -2.06729e+02   -1.29214e+01    5.31091e-06


DD  step 239939999 load imb.: force 15.8%  pme mesh/force 0.720
           Step           Time
      239940000   479880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22779e+03    1.93664e+04    1.33382e+04    1.27398e+03   -3.08506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88286e+03    9.23877e+04    3.98797e+05   -2.33393e+04   -2.97368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66587e+04   -2.44518e+06    4.80863e+05   -1.96431e+06    2.55915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11752e+02   -2.06457e+02   -6.28654e+01    5.31096e-06


DD  step 239944999 load imb.: force 17.1%  pme mesh/force 0.757
           Step           Time
      239945000   479890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96210e+03    1.97420e+04    1.28428e+04    1.18153e+03   -3.06551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86290e+03    9.22122e+04    3.96695e+05   -2.33616e+04   -2.97306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65142e+04   -2.44748e+06    4.79955e+05   -1.96752e+06    2.55921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.06852e+02   -9.50014e+01    5.35392e-06


DD  step 239949999 load imb.: force 17.3%  pme mesh/force 0.718
           Step           Time
      239950000   479900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97613e+03    1.94429e+04    1.30768e+04    1.26891e+03   -3.13466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94051e+03    9.27478e+04    4.00775e+05   -2.34279e+04   -2.97875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63699e+04   -2.44872e+06    4.77668e+05   -1.97105e+06    2.55927e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09680e+02   -2.08025e+02   -2.40297e+00    5.40022e-06


DD  step 239954999 load imb.: force 18.1%  pme mesh/force 0.738
           Step           Time
      239955000   479910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88833e+03    1.98972e+04    1.32308e+04    1.14939e+03   -3.20448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89041e+03    9.22436e+04    4.01717e+05   -2.33993e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64567e+04   -2.44787e+06    4.80807e+05   -1.96707e+06    2.55932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11716e+02   -2.07518e+02    8.12103e+01    5.28384e-06


DD  step 239959999 load imb.: force 18.0%  pme mesh/force 0.768
           Step           Time
      239960000   479920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75036e+03    1.91097e+04    1.31676e+04    1.11848e+03   -3.13212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97122e+03    9.34244e+04    4.01586e+05   -2.33941e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65019e+04   -2.44758e+06    4.78766e+05   -1.96881e+06    2.55938e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10393e+02   -2.07427e+02    8.91344e+01    5.42700e-06


DD  step 239964999 load imb.: force 19.4%  pme mesh/force 0.734
           Step           Time
      239965000   479930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16283e+03    1.92487e+04    1.31760e+04    1.13403e+03   -3.13643e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75464e+03    9.27784e+04    4.01013e+05   -2.33774e+04   -2.97923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64983e+04   -2.44897e+06    4.80983e+05   -1.96799e+06    2.55944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11830e+02   -2.07130e+02   -4.14108e+01    5.18443e-06


DD  step 239969999 load imb.: force 17.7%  pme mesh/force 0.780
           Step           Time
      239970000   479940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91503e+03    1.93830e+04    1.29382e+04    1.26271e+03   -3.12937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88699e+03    9.26544e+04    4.01117e+05   -2.33996e+04   -2.97910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65426e+04   -2.44892e+06    4.80276e+05   -1.96865e+06    2.55950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.07523e+02    7.15823e+00    5.46458e-06


DD  step 239974999 load imb.: force 19.4%  pme mesh/force 0.765
           Step           Time
      239975000   479950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20406e+03    1.94208e+04    1.29938e+04    1.19716e+03   -3.05257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85170e+03    9.27667e+04    4.01729e+05   -2.33567e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63982e+04   -2.44743e+06    4.79613e+05   -1.96782e+06    2.55955e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10942e+02   -2.06765e+02    5.55429e+01    5.21405e-06


DD  step 239979999 load imb.: force 17.4%  pme mesh/force 0.742
           Step           Time
      239980000   479960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16008e+03    1.94725e+04    1.32435e+04    1.13783e+03   -3.07597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88615e+03    9.27724e+04    3.97773e+05   -2.33125e+04   -2.97086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65655e+04   -2.44324e+06    4.78716e+05   -1.96453e+06    2.55962e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10360e+02   -2.05983e+02   -5.46576e+01    5.23461e-06


DD  step 239984999 load imb.: force 16.0%  pme mesh/force 0.767
           Step           Time
      239985000   479970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22617e+03    1.92923e+04    1.30630e+04    1.11821e+03   -3.06559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82927e+03    9.26151e+04    3.98112e+05   -2.33914e+04   -2.97412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64842e+04   -2.44684e+06    4.78661e+05   -1.96817e+06    2.55967e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10324e+02   -2.07378e+02   -4.68494e+01    5.31006e-06


DD  step 239989999 load imb.: force 17.5%  pme mesh/force 0.736
           Step           Time
      239990000   479980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18118e+03    1.97843e+04    1.30033e+04    1.13046e+03   -3.07269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77736e+03    9.23945e+04    3.98478e+05   -2.33819e+04   -2.97381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64614e+04   -2.44605e+06    4.83121e+05   -1.96293e+06    2.55972e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13216e+02   -2.07210e+02   -5.15229e+01    5.38875e-06


DD  step 239994999 load imb.: force 15.9%  pme mesh/force 0.742
           Step           Time
      239995000   479990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08358e+03    1.91426e+04    1.29200e+04    1.25427e+03   -3.14532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74544e+03    9.26860e+04    4.02010e+05   -2.33894e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62975e+04   -2.44883e+06    4.80275e+05   -1.96855e+06    2.55978e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11371e+02   -2.07344e+02   -8.38818e+00    5.29459e-06


DD  step 239999999 load imb.: force 17.3%  pme mesh/force 0.727
           Step           Time
      240000000   480000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77208e+03    1.94862e+04    1.30523e+04    1.17055e+03   -3.19299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91167e+03    9.24900e+04    4.00012e+05   -2.33745e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63936e+04   -2.44826e+06    4.80859e+05   -1.96740e+06    2.55983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11750e+02   -2.07079e+02    5.01811e+00    5.16710e-06


DD  step 240004999 load imb.: force 17.7%  pme mesh/force 0.745
           Step           Time
      240005000   480010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03363e+03    1.96271e+04    1.29695e+04    1.15738e+03   -3.10625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72467e+03    9.27211e+04    4.00672e+05   -2.33862e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63778e+04   -2.44961e+06    4.79467e+05   -1.97015e+06    2.55990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10847e+02   -2.07287e+02   -1.07480e+01    5.48521e-06


DD  step 240009999 load imb.: force 15.5%  pme mesh/force 0.708
           Step           Time
      240010000   480020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23676e+03    1.97874e+04    1.30235e+04    1.08541e+03   -3.03929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82080e+03    9.27000e+04    3.98621e+05   -2.33427e+04   -2.97333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63551e+04   -2.44508e+06    4.80736e+05   -1.96435e+06    2.55996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11670e+02   -2.06517e+02   -6.95367e+01    5.44042e-06


DD  step 240014999 load imb.: force 17.7%  pme mesh/force 0.724
           Step           Time
      240015000   480030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71965e+03    1.93125e+04    1.32037e+04    1.16120e+03   -3.01749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86597e+03    9.27502e+04    4.01391e+05   -2.34021e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66312e+04   -2.44636e+06    4.78642e+05   -1.96772e+06    2.56002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.07569e+02    5.24958e+01    5.36292e-06


DD  step 240019999 load imb.: force 16.8%  pme mesh/force 0.747
           Step           Time
      240020000   480040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13738e+03    1.95178e+04    1.31153e+04    1.13331e+03   -3.02940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84107e+03    9.28976e+04    4.01806e+05   -2.33531e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63995e+04   -2.44764e+06    4.80110e+05   -1.96753e+06    2.56008e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11264e+02   -2.06701e+02    8.11273e+00    5.35201e-06


DD  step 240024999 load imb.: force 16.7%  pme mesh/force 0.726
           Step           Time
      240025000   480050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90639e+03    1.95991e+04    1.30050e+04    1.18523e+03   -3.02540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78970e+03    9.30730e+04    3.98406e+05   -2.34125e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64158e+04   -2.44862e+06    4.78431e+05   -1.97018e+06    2.56013e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10175e+02   -2.07753e+02   -2.88019e+01    5.22122e-06


DD  step 240029999 load imb.: force 17.7%  pme mesh/force 0.727
           Step           Time
      240030000   480060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82874e+03    1.93751e+04    1.30921e+04    1.17315e+03   -2.97291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02131e+03    9.29083e+04    4.01010e+05   -2.33582e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65159e+04   -2.44671e+06    4.79917e+05   -1.96679e+06    2.56019e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.06791e+02    7.40304e+01    5.23974e-06


DD  step 240034999 load imb.: force 18.2%  pme mesh/force 0.734
           Step           Time
      240035000   480070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75834e+03    1.92834e+04    1.31993e+04    1.10961e+03   -3.02664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91002e+03    9.30436e+04    3.99861e+05   -2.34257e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63251e+04   -2.44866e+06    4.80454e+05   -1.96821e+06    2.56025e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.07986e+02    2.43866e+01    5.51798e-06


DD  step 240039999 load imb.: force 16.6%  pme mesh/force 0.740
           Step           Time
      240040000   480080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09463e+03    1.94749e+04    1.30444e+04    1.17518e+03   -3.03740e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89259e+03    9.26268e+04    3.98810e+05   -2.33651e+04   -2.97276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64723e+04   -2.44457e+06    4.79420e+05   -1.96515e+06    2.56031e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.06914e+02   -1.74058e+01    5.38698e-06


DD  step 240044999 load imb.: force 19.9%  pme mesh/force 0.732
           Step           Time
      240045000   480090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04742e+03    1.97040e+04    1.31736e+04    1.15406e+03   -2.99984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71838e+03    9.26058e+04    3.98930e+05   -2.33444e+04   -2.97215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65292e+04   -2.44363e+06    4.78914e+05   -1.96472e+06    2.56037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.06548e+02   -4.77751e+01    5.38444e-06


DD  step 240049999 load imb.: force 18.0%  pme mesh/force 0.763
           Step           Time
      240050000   480100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84837e+03    1.96454e+04    1.30386e+04    1.12844e+03   -3.09776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80466e+03    9.30220e+04    4.00694e+05   -2.34213e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64072e+04   -2.44863e+06    4.79188e+05   -1.96944e+06    2.56042e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10666e+02   -2.07908e+02   -4.74004e+00    5.18583e-06


DD  step 240054999 load imb.: force 16.9%  pme mesh/force 0.764
           Step           Time
      240055000   480110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83948e+03    1.96111e+04    1.30746e+04    1.21976e+03   -2.97811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80604e+03    9.30180e+04    4.00720e+05   -2.33811e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44706e+06    4.80298e+05   -1.96676e+06    2.56048e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11386e+02   -2.07196e+02    4.37225e-01    5.41212e-06


DD  step 240059999 load imb.: force 17.4%  pme mesh/force 0.756
           Step           Time
      240060000   480120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81896e+03    1.95033e+04    1.30310e+04    1.11264e+03   -3.07320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82717e+03    9.33094e+04    4.01309e+05   -2.34129e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65601e+04   -2.44711e+06    4.80370e+05   -1.96674e+06    2.56054e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.07760e+02    5.29432e+01    5.27301e-06


DD  step 240064999 load imb.: force 18.6%  pme mesh/force 0.771
           Step           Time
      240065000   480130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06278e+03    1.96380e+04    1.31064e+04    1.22954e+03   -3.07079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92520e+03    9.33795e+04    3.99453e+05   -2.33945e+04   -2.97458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65037e+04   -2.44475e+06    4.81802e+05   -1.96294e+06    2.56059e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12361e+02   -2.07434e+02    9.65570e+00    5.20369e-06


DD  step 240069999 load imb.: force 18.4%  pme mesh/force 0.795
           Step           Time
      240070000   480140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95543e+03    1.93802e+04    1.30811e+04    1.17861e+03   -2.99069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93054e+03    9.32066e+04    4.03268e+05   -2.33672e+04   -2.98168e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65289e+04   -2.44851e+06    4.78105e+05   -1.97040e+06    2.56065e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09964e+02   -2.06950e+02    8.04816e+01    5.25031e-06

Writing checkpoint, step 240073150 at Wed Nov  8 10:31:28 2023



DD  step 240074999 load imb.: force 15.1%  pme mesh/force 0.725
           Step           Time
      240075000   480150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09092e+03    1.97000e+04    1.30244e+04    1.15788e+03   -3.06867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86923e+03    9.29592e+04    4.01690e+05   -2.34005e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65772e+04   -2.44568e+06    4.80647e+05   -1.96503e+06    2.56071e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11612e+02   -2.07540e+02    7.20252e+01    5.35822e-06


DD  step 240079999 load imb.: force 16.9%  pme mesh/force 0.756
           Step           Time
      240080000   480160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20694e+03    1.93252e+04    1.33367e+04    1.22809e+03   -3.05700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77794e+03    9.24549e+04    4.04435e+05   -2.33746e+04   -2.98152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63847e+04   -2.44780e+06    4.79914e+05   -1.96789e+06    2.56077e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11137e+02   -2.07081e+02    2.52105e+01    5.32126e-06


DD  step 240084999 load imb.: force 17.3%  pme mesh/force 0.758
           Step           Time
      240085000   480170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13608e+03    1.92068e+04    1.30523e+04    1.13037e+03   -2.99841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61987e+03    9.31517e+04    4.01154e+05   -2.33977e+04   -2.97958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63566e+04   -2.44916e+06    4.79914e+05   -1.96925e+06    2.56082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11137e+02   -2.07490e+02   -6.54887e+01    5.37436e-06


DD  step 240089999 load imb.: force 16.4%  pme mesh/force 0.753
           Step           Time
      240090000   480180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96946e+03    1.99084e+04    1.31039e+04    1.14291e+03   -3.05884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85269e+03    9.25687e+04    3.98551e+05   -2.33349e+04   -2.97420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63537e+04   -2.44614e+06    4.80613e+05   -1.96553e+06    2.56088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11590e+02   -2.06379e+02   -9.52324e+01    5.28234e-06


DD  step 240094999 load imb.: force 16.4%  pme mesh/force 0.747
           Step           Time
      240095000   480190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09330e+03    1.94017e+04    1.31042e+04    1.25269e+03   -3.09370e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77267e+03    9.28305e+04    4.02833e+05   -2.33779e+04   -2.97821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66092e+04   -2.44579e+06    4.80121e+05   -1.96567e+06    2.56094e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11271e+02   -2.07140e+02    6.81309e+01    5.30070e-06


DD  step 240099999 load imb.: force 14.9%  pme mesh/force 0.713
           Step           Time
      240100000   480200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01480e+03    1.95446e+04    1.30083e+04    1.20574e+03   -2.93725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78781e+03    9.26242e+04    4.02079e+05   -2.33509e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65086e+04   -2.44711e+06    4.79177e+05   -1.96793e+06    2.56100e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10659e+02   -2.06662e+02   -9.88925e+00    5.17287e-06


DD  step 240104999 load imb.: force 17.3%  pme mesh/force 0.764
           Step           Time
      240105000   480210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03664e+03    1.95655e+04    1.31786e+04    1.16342e+03   -3.18284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97880e+03    9.26984e+04    3.98460e+05   -2.33517e+04   -2.97337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66694e+04   -2.44515e+06    4.81414e+05   -1.96374e+06    2.56106e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12109e+02   -2.06676e+02   -5.84944e+01    5.38425e-06


DD  step 240109999 load imb.: force 16.5%  pme mesh/force 0.734
           Step           Time
      240110000   480220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04139e+03    1.92941e+04    1.32993e+04    1.11553e+03   -3.18172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82376e+03    9.26299e+04    4.00945e+05   -2.33928e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64301e+04   -2.44792e+06    4.79778e+05   -1.96815e+06    2.56111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11048e+02   -2.07404e+02    3.94518e+01    5.23710e-06


DD  step 240114999 load imb.: force 19.6%  pme mesh/force 0.771
           Step           Time
      240115000   480230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85161e+03    1.91984e+04    1.30621e+04    1.20722e+03   -3.00772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87914e+03    9.28170e+04    4.02010e+05   -2.33762e+04   -2.98067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64338e+04   -2.44960e+06    4.78870e+05   -1.97073e+06    2.56117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10460e+02   -2.07110e+02    2.92867e+01    5.36795e-06


DD  step 240119999 load imb.: force 17.0%  pme mesh/force 0.739
           Step           Time
      240120000   480240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08380e+03    1.92576e+04    1.31740e+04    1.17984e+03   -3.06093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90552e+03    9.32562e+04    3.97561e+05   -2.33772e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67805e+04   -2.44844e+06    4.77868e+05   -1.97058e+06    2.56123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.07128e+02   -1.10865e+02    5.26572e-06


DD  step 240124999 load imb.: force 17.3%  pme mesh/force 0.745
           Step           Time
      240125000   480250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05049e+03    1.93559e+04    1.31173e+04    1.22965e+03   -3.13664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73740e+03    9.29076e+04    4.00394e+05   -2.33457e+04   -2.97517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65571e+04   -2.44531e+06    4.80814e+05   -1.96449e+06    2.56129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11720e+02   -2.06569e+02   -3.46326e+01    5.42554e-06


DD  step 240129999 load imb.: force 17.9%  pme mesh/force 0.783
           Step           Time
      240130000   480260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.41164e+03    1.91322e+04    1.32085e+04    1.23875e+03   -3.17139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69444e+03    9.28348e+04    4.00842e+05   -2.33531e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65992e+04   -2.44780e+06    4.80219e+05   -1.96758e+06    2.56135e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11335e+02   -2.06701e+02   -5.98772e+01    5.22026e-06


DD  step 240134999 load imb.: force 15.8%  pme mesh/force 0.746
           Step           Time
      240135000   480270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99987e+03    1.91361e+04    1.31652e+04    1.16836e+03   -3.06184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92047e+03    9.25650e+04    3.99364e+05   -2.34122e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65180e+04   -2.44652e+06    4.78272e+05   -1.96825e+06    2.56141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10072e+02   -2.07747e+02   -2.89537e+00    5.24957e-06


DD  step 240139999 load imb.: force 17.2%  pme mesh/force 0.756
           Step           Time
      240140000   480280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08503e+03    1.92584e+04    1.30988e+04    1.11494e+03   -3.11285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85792e+03    9.28346e+04    3.98818e+05   -2.34100e+04   -2.97519e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67367e+04   -2.44691e+06    4.78621e+05   -1.96829e+06    2.56146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10299e+02   -2.07708e+02   -4.92723e+01    5.24220e-06


DD  step 240144999 load imb.: force 19.2%  pme mesh/force 0.749
           Step           Time
      240145000   480290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00150e+03    1.93151e+04    1.31173e+04    1.15154e+03   -3.02620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95966e+03    9.22347e+04    4.00562e+05   -2.33760e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66072e+04   -2.44818e+06    4.82284e+05   -1.96589e+06    2.56152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12674e+02   -2.07107e+02   -1.46809e+01    5.18118e-06


DD  step 240149999 load imb.: force 17.0%  pme mesh/force 0.734
           Step           Time
      240150000   480300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02823e+03    1.98342e+04    1.31558e+04    1.19513e+03   -3.02459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79901e+03    9.26857e+04    4.00898e+05   -2.33716e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66275e+04   -2.44614e+06    4.80244e+05   -1.96590e+06    2.56158e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11351e+02   -2.07028e+02    3.78999e+01    5.15195e-06


DD  step 240154999 load imb.: force 16.4%  pme mesh/force 0.761
           Step           Time
      240155000   480310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86806e+03    1.98269e+04    1.30742e+04    1.22856e+03   -3.02745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91888e+03    9.20427e+04    4.01964e+05   -2.33834e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64550e+04   -2.44414e+06    4.81037e+05   -1.96310e+06    2.56164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11865e+02   -2.07237e+02    7.41346e+01    5.32375e-06


DD  step 240159999 load imb.: force 16.8%  pme mesh/force 0.757
           Step           Time
      240160000   480320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18778e+03    1.92942e+04    1.32025e+04    1.15770e+03   -2.94798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77639e+03    9.23032e+04    3.97922e+05   -2.34073e+04   -2.97267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65073e+04   -2.44568e+06    4.78531e+05   -1.96715e+06    2.56169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10240e+02   -2.07660e+02   -6.48450e+01    5.30074e-06


DD  step 240164999 load imb.: force 16.2%  pme mesh/force 0.743
           Step           Time
      240165000   480330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23178e+03    1.93852e+04    1.30979e+04    1.14677e+03   -3.02462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84599e+03    9.21874e+04    3.97725e+05   -2.33704e+04   -2.97244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63813e+04   -2.44583e+06    4.79421e+05   -1.96641e+06    2.56175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.07007e+02   -1.08363e+02    5.23276e-06


DD  step 240169999 load imb.: force 16.2%  pme mesh/force 0.731
           Step           Time
      240170000   480340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18624e+03    1.94859e+04    1.32513e+04    1.12734e+03   -3.01923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72177e+03    9.21144e+04    3.99740e+05   -2.34055e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65303e+04   -2.44868e+06    4.80603e+05   -1.96808e+06    2.56181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11583e+02   -2.07628e+02   -4.55105e+01    5.27341e-06


DD  step 240174999 load imb.: force 16.1%  pme mesh/force 0.754
           Step           Time
      240175000   480350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99147e+03    1.94987e+04    1.29381e+04    1.23245e+03   -3.14443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85652e+03    9.25816e+04    4.01493e+05   -2.33940e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65371e+04   -2.44832e+06    4.79395e+05   -1.96892e+06    2.56186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10800e+02   -2.07424e+02    5.86928e+01    5.45454e-06


DD  step 240179999 load imb.: force 18.8%  pme mesh/force 0.712
           Step           Time
      240180000   480360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97397e+03    1.95489e+04    1.31340e+04    1.15177e+03   -3.08534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87843e+03    9.27164e+04    3.99172e+05   -2.34058e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63690e+04   -2.44692e+06    4.79666e+05   -1.96726e+06    2.56192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10976e+02   -2.07634e+02   -2.24484e+00    5.56653e-06


DD  step 240184999 load imb.: force 18.5%  pme mesh/force 0.740
           Step           Time
      240185000   480370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86218e+03    1.98235e+04    1.31480e+04    1.27678e+03   -3.02463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76019e+03    9.27564e+04    3.97496e+05   -2.33730e+04   -2.97310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63603e+04   -2.44602e+06    4.81082e+05   -1.96493e+06    2.56198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11894e+02   -2.07052e+02   -4.44888e+01    5.19182e-06


DD  step 240189999 load imb.: force 17.7%  pme mesh/force 0.724
           Step           Time
      240190000   480380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17329e+03    1.95664e+04    1.31447e+04    1.13808e+03   -2.94756e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75201e+03    9.25846e+04    3.99099e+05   -2.33908e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64552e+04   -2.44612e+06    4.80902e+05   -1.96522e+06    2.56204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11778e+02   -2.07368e+02   -1.11973e+01    5.42201e-06


DD  step 240194999 load imb.: force 15.8%  pme mesh/force 0.754
           Step           Time
      240195000   480390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00908e+03    1.97614e+04    1.30070e+04    1.25224e+03   -3.01330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81670e+03    9.25543e+04    3.97962e+05   -2.33625e+04   -2.97404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64262e+04   -2.44663e+06    4.81150e+05   -1.96548e+06    2.56210e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11938e+02   -2.06868e+02   -7.34784e+01    4.97696e-06


DD  step 240199999 load imb.: force 14.8%  pme mesh/force 0.724
           Step           Time
      240200000   480400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99244e+03    1.94214e+04    1.29988e+04    1.25411e+03   -3.02178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72173e+03    9.23661e+04    3.99259e+05   -2.33372e+04   -2.97291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66134e+04   -2.44465e+06    4.81261e+05   -1.96338e+06    2.56215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12010e+02   -2.06420e+02   -7.12211e+01    5.18421e-06


DD  step 240204999 load imb.: force 14.7%  pme mesh/force 0.682
           Step           Time
      240205000   480410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87169e+03    1.93159e+04    1.30382e+04    1.25141e+03   -3.03720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88924e+03    9.23444e+04    3.98629e+05   -2.33998e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64508e+04   -2.44776e+06    4.77521e+05   -1.97024e+06    2.56222e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09585e+02   -2.07527e+02   -6.08272e+01    5.14999e-06


DD  step 240209999 load imb.: force 18.1%  pme mesh/force 0.739
           Step           Time
      240210000   480420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08261e+03    1.93821e+04    1.31854e+04    1.18407e+03   -3.11088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88564e+03    9.26578e+04    4.02530e+05   -2.33893e+04   -2.98065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64633e+04   -2.44878e+06    4.79311e+05   -1.96947e+06    2.56227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10746e+02   -2.07342e+02    4.75180e+01    5.24983e-06


DD  step 240214999 load imb.: force 17.7%  pme mesh/force 0.729
           Step           Time
      240215000   480430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14789e+03    1.93275e+04    1.30991e+04    1.23995e+03   -3.02593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84142e+03    9.23210e+04    3.97364e+05   -2.33405e+04   -2.97119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67396e+04   -2.44448e+06    4.80066e+05   -1.96441e+06    2.56233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11236e+02   -2.06478e+02   -8.21291e+01    5.47108e-06


DD  step 240219999 load imb.: force 15.4%  pme mesh/force 0.718
           Step           Time
      240220000   480440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18354e+03    1.95345e+04    1.32302e+04    1.16792e+03   -3.17704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84719e+03    9.27685e+04    3.99066e+05   -2.33680e+04   -2.97374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67466e+04   -2.44474e+06    4.78808e+05   -1.96593e+06    2.56239e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10420e+02   -2.06964e+02   -7.89255e+01    5.41570e-06


DD  step 240224999 load imb.: force 17.4%  pme mesh/force 0.745
           Step           Time
      240225000   480450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94110e+03    1.93155e+04    1.32557e+04    1.17386e+03   -3.11862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80111e+03    9.22160e+04    4.00167e+05   -2.33574e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66090e+04   -2.44809e+06    4.77963e+05   -1.97013e+06    2.56245e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09872e+02   -2.06777e+02   -9.17388e+01    5.41177e-06


DD  step 240229999 load imb.: force 17.2%  pme mesh/force 0.755
           Step           Time
      240230000   480460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94459e+03    1.93333e+04    1.31126e+04    1.16911e+03   -3.18807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89567e+03    9.22352e+04    4.00388e+05   -2.33793e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65137e+04   -2.44691e+06    4.79375e+05   -1.96754e+06    2.56250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10787e+02   -2.07164e+02   -1.66493e+01    5.20005e-06


DD  step 240234999 load imb.: force 16.6%  pme mesh/force 0.724
           Step           Time
      240235000   480470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07412e+03    1.94278e+04    1.32643e+04    1.15266e+03   -3.13183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89676e+03    9.22196e+04    4.01536e+05   -2.33851e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64305e+04   -2.44803e+06    4.79720e+05   -1.96831e+06    2.56255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.07267e+02    1.89875e+01    5.28531e-06


DD  step 240239999 load imb.: force 17.6%  pme mesh/force 0.734
           Step           Time
      240240000   480480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01390e+03    1.91095e+04    1.32924e+04    1.16700e+03   -3.00995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81205e+03    9.23120e+04    4.02562e+05   -2.34262e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62538e+04   -2.44951e+06    4.80341e+05   -1.96916e+06    2.56261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11414e+02   -2.07996e+02    6.47647e+01    5.40708e-06


DD  step 240244999 load imb.: force 16.3%  pme mesh/force 0.745
           Step           Time
      240245000   480490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06721e+03    1.94646e+04    1.30132e+04    1.18354e+03   -3.06823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85467e+03    9.23832e+04    4.01810e+05   -2.34323e+04   -2.98218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65882e+04   -2.45131e+06    4.79482e+05   -1.97183e+06    2.56267e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.08104e+02   -5.30896e+00    5.20169e-06


DD  step 240249999 load imb.: force 16.9%  pme mesh/force 0.738
           Step           Time
      240250000   480500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95043e+03    1.92528e+04    1.30506e+04    1.15667e+03   -3.07242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97425e+03    9.26134e+04    3.99576e+05   -2.33853e+04   -2.97481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66504e+04   -2.44605e+06    4.80186e+05   -1.96586e+06    2.56273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.07270e+02    2.24530e+01    5.40955e-06


DD  step 240254999 load imb.: force 16.9%  pme mesh/force 0.746
           Step           Time
      240255000   480510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01260e+03    1.94752e+04    1.31154e+04    1.08036e+03   -3.04499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89030e+03    9.24678e+04    3.98910e+05   -2.33418e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64313e+04   -2.44743e+06    4.78890e+05   -1.96854e+06    2.56279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10473e+02   -2.06501e+02   -1.10881e+02    5.45266e-06


DD  step 240259999 load imb.: force 18.0%  pme mesh/force 0.745
           Step           Time
      240260000   480520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98609e+03    1.90232e+04    1.31503e+04    1.18528e+03   -3.02728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93877e+03    9.24765e+04    4.00031e+05   -2.34300e+04   -2.97900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65762e+04   -2.45009e+06    4.78554e+05   -1.97154e+06    2.56285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10255e+02   -2.08063e+02    1.88943e+01    5.33669e-06


DD  step 240264999 load imb.: force 17.8%  pme mesh/force 0.763
           Step           Time
      240265000   480530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04835e+03    2.00302e+04    1.32681e+04    1.18142e+03   -3.26557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89584e+03    9.24611e+04    3.99714e+05   -2.34212e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64064e+04   -2.44597e+06    4.79739e+05   -1.96623e+06    2.56291e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11024e+02   -2.07907e+02    4.70683e+00    5.26409e-06


DD  step 240269999 load imb.: force 17.2%  pme mesh/force 0.770
           Step           Time
      240270000   480540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04575e+03    1.96041e+04    1.30221e+04    1.10447e+03   -2.95830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86469e+03    9.28239e+04    4.01135e+05   -2.34002e+04   -2.98038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63080e+04   -2.44983e+06    4.80980e+05   -1.96885e+06    2.56296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11828e+02   -2.07535e+02   -6.58096e+00    5.23941e-06


DD  step 240274999 load imb.: force 15.3%  pme mesh/force 0.735
           Step           Time
      240275000   480550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08735e+03    1.93261e+04    1.29449e+04    1.11954e+03   -3.09641e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76887e+03    9.29831e+04    4.01391e+05   -2.33330e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64243e+04   -2.44582e+06    4.78718e+05   -1.96711e+06    2.56302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.06346e+02   -4.43024e-01    5.24840e-06


DD  step 240279999 load imb.: force 19.9%  pme mesh/force 0.785
           Step           Time
      240280000   480560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05886e+03    1.99517e+04    1.33423e+04    1.17700e+03   -3.11213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76154e+03    9.24802e+04    4.01331e+05   -2.34236e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64782e+04   -2.44644e+06    4.82267e+05   -1.96417e+06    2.56308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12663e+02   -2.07950e+02    4.75808e+01    5.35581e-06


DD  step 240284999 load imb.: force 16.4%  pme mesh/force 0.735
           Step           Time
      240285000   480570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25032e+03    1.97372e+04    1.28872e+04    1.23445e+03   -3.01580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86214e+03    9.25394e+04    4.01416e+05   -2.33885e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65905e+04   -2.44561e+06    4.80847e+05   -1.96476e+06    2.56313e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.07327e+02    1.65358e+01    5.37268e-06


DD  step 240289999 load imb.: force 16.7%  pme mesh/force 0.736
           Step           Time
      240290000   480580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02169e+03    1.91222e+04    1.32296e+04    1.25315e+03   -2.92874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93992e+03    9.21357e+04    3.99124e+05   -2.33500e+04   -2.97385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64665e+04   -2.44584e+06    4.79371e+05   -1.96647e+06    2.56318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10785e+02   -2.06646e+02   -1.14525e+01    5.38617e-06


DD  step 240294999 load imb.: force 15.8%  pme mesh/force 0.718
           Step           Time
      240295000   480590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09840e+03    1.96000e+04    1.32259e+04    1.21884e+03   -3.08048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72427e+03    9.24211e+04    4.00979e+05   -2.33438e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62844e+04   -2.44742e+06    4.78736e+05   -1.96868e+06    2.56324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.06537e+02   -1.55125e+01    5.22894e-06


DD  step 240299999 load imb.: force 16.9%  pme mesh/force 0.754
           Step           Time
      240300000   480600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18881e+03    1.95313e+04    1.29232e+04    1.23330e+03   -3.05942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89711e+03    9.22643e+04    4.02008e+05   -2.34149e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63963e+04   -2.44668e+06    4.79298e+05   -1.96739e+06    2.56331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.07795e+02    5.37209e+01    5.23283e-06


DD  step 240304999 load imb.: force 16.3%  pme mesh/force 0.749
           Step           Time
      240305000   480610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74074e+03    1.93145e+04    1.30623e+04    1.12234e+03   -3.01219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81509e+03    9.18998e+04    4.00836e+05   -2.33994e+04   -2.97859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63484e+04   -2.44986e+06    4.79820e+05   -1.97004e+06    2.56336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11076e+02   -2.07521e+02    2.80207e+01    5.45981e-06


DD  step 240309999 load imb.: force 18.0%  pme mesh/force 0.745
           Step           Time
      240310000   480620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08768e+03    1.95275e+04    1.31149e+04    1.21645e+03   -2.93686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00740e+03    9.26751e+04    4.01398e+05   -2.33624e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64302e+04   -2.44671e+06    4.78608e+05   -1.96810e+06    2.56342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10290e+02   -2.06866e+02    7.93056e+01    5.14931e-06


DD  step 240314999 load imb.: force 17.9%  pme mesh/force 0.730
           Step           Time
      240315000   480630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18771e+03    1.90886e+04    1.31568e+04    1.20005e+03   -3.09960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75788e+03    9.24605e+04    4.04079e+05   -2.34443e+04   -2.98407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64385e+04   -2.45124e+06    4.77557e+05   -1.97369e+06    2.56348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09609e+02   -2.08316e+02    8.24592e+01    5.29761e-06


DD  step 240319999 load imb.: force 15.3%  pme mesh/force 0.715
           Step           Time
      240320000   480640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01586e+03    1.93062e+04    1.30882e+04    1.16579e+03   -3.07645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97842e+03    9.31035e+04    4.00212e+05   -2.33571e+04   -2.97714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67092e+04   -2.44699e+06    4.78964e+05   -1.96803e+06    2.56354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10521e+02   -2.06772e+02   -1.08839e+01    5.18630e-06


DD  step 240324999 load imb.: force 16.6%  pme mesh/force 0.742
           Step           Time
      240325000   480650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03338e+03    1.95853e+04    1.31146e+04    1.21308e+03   -2.97134e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86684e+03    9.28744e+04    4.01318e+05   -2.33608e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65431e+04   -2.44742e+06    4.78929e+05   -1.96849e+06    2.56360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10498e+02   -2.06836e+02    3.29739e+00    5.11873e-06


DD  step 240329999 load imb.: force 17.6%  pme mesh/force 0.751
           Step           Time
      240330000   480660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84685e+03    1.95127e+04    1.32059e+04    1.31025e+03   -2.93884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83568e+03    9.32155e+04    3.99012e+05   -2.34107e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62808e+04   -2.44838e+06    4.82025e+05   -1.96635e+06    2.56365e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12506e+02   -2.07721e+02   -4.12491e+00    5.34664e-06


DD  step 240334999 load imb.: force 15.5%  pme mesh/force 0.725
           Step           Time
      240335000   480670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89573e+03    1.96896e+04    1.30725e+04    1.17895e+03   -2.98168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87506e+03    9.21558e+04    3.99728e+05   -2.34065e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63614e+04   -2.44781e+06    4.78886e+05   -1.96893e+06    2.56371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10470e+02   -2.07647e+02   -2.05493e+00    5.21958e-06


DD  step 240339999 load imb.: force 17.6%  pme mesh/force 0.739
           Step           Time
      240340000   480680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79844e+03    1.90870e+04    1.30630e+04    1.19840e+03   -3.08781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89375e+03    9.23641e+04    4.02974e+05   -2.33553e+04   -2.98002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66995e+04   -2.44838e+06    4.78519e+05   -1.96986e+06    2.56377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10233e+02   -2.06740e+02    4.77899e+01    5.18072e-06


DD  step 240344999 load imb.: force 15.1%  pme mesh/force 0.682
           Step           Time
      240345000   480690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21191e+03    1.96558e+04    1.30597e+04    1.16311e+03   -2.98084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79555e+03    9.28059e+04    3.97698e+05   -2.33682e+04   -2.97021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64189e+04   -2.44275e+06    4.80024e+05   -1.96272e+06    2.56383e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11208e+02   -2.06967e+02   -4.69206e+01    5.30197e-06


DD  step 240349999 load imb.: force 16.6%  pme mesh/force 0.712
           Step           Time
      240350000   480700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05812e+03    1.95493e+04    1.31670e+04    1.26302e+03   -3.08578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87040e+03    9.26306e+04    3.98648e+05   -2.34277e+04   -2.97430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65103e+04   -2.44611e+06    4.79710e+05   -1.96640e+06    2.56389e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11005e+02   -2.08022e+02   -2.27237e+01    5.40443e-06


DD  step 240354999 load imb.: force 17.6%  pme mesh/force 0.705
           Step           Time
      240355000   480710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21122e+03    1.93437e+04    1.31655e+04    1.12234e+03   -2.98530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86680e+03    9.24854e+04    3.98882e+05   -2.33178e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63104e+04   -2.44700e+06    4.79276e+05   -1.96773e+06    2.56394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10723e+02   -2.06077e+02   -6.88223e+01    5.31487e-06


DD  step 240359999 load imb.: force 16.4%  pme mesh/force 0.765
           Step           Time
      240360000   480720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25795e+03    1.92658e+04    1.31473e+04    1.17027e+03   -3.06257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82209e+03    9.24278e+04    3.98347e+05   -2.33721e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62509e+04   -2.44758e+06    4.80592e+05   -1.96699e+06    2.56400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.07038e+02   -1.09233e+02    5.37901e-06


DD  step 240364999 load imb.: force 17.0%  pme mesh/force 0.760
           Step           Time
      240365000   480730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00411e+03    1.95579e+04    1.29396e+04    1.17649e+03   -3.01211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85187e+03    9.25654e+04    3.99741e+05   -2.33947e+04   -2.97472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68235e+04   -2.44547e+06    4.80959e+05   -1.96451e+06    2.56406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11815e+02   -2.07438e+02   -1.10197e+01    5.35642e-06


DD  step 240369999 load imb.: force 15.2%  pme mesh/force 0.695
           Step           Time
      240370000   480740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83364e+03    1.96234e+04    1.29410e+04    1.16493e+03   -3.08654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89207e+03    9.25278e+04    4.00435e+05   -2.33446e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64899e+04   -2.44705e+06    4.79624e+05   -1.96743e+06    2.56412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10949e+02   -2.06551e+02    5.85004e+01    5.38724e-06


DD  step 240374999 load imb.: force 15.8%  pme mesh/force 0.705
           Step           Time
      240375000   480750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97785e+03    2.01133e+04    1.31510e+04    1.23287e+03   -3.10511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79072e+03    9.24816e+04    3.98113e+05   -2.34066e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64651e+04   -2.44891e+06    4.80656e+05   -1.96825e+06    2.56418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11618e+02   -2.07648e+02   -7.65946e+01    5.30261e-06


DD  step 240379999 load imb.: force 19.1%  pme mesh/force 0.735
           Step           Time
      240380000   480760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97251e+03    1.94718e+04    1.30783e+04    1.17178e+03   -3.07692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85742e+03    9.27048e+04    4.00711e+05   -2.34129e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66257e+04   -2.44758e+06    4.79639e+05   -1.96794e+06    2.56424e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10959e+02   -2.07760e+02   -1.00187e+01    5.27623e-06


DD  step 240384999 load imb.: force 13.8%  pme mesh/force 0.705
           Step           Time
      240385000   480770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09250e+03    1.91744e+04    1.31862e+04    1.11729e+03   -2.91094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80358e+03    9.26919e+04    3.99543e+05   -2.33735e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65043e+04   -2.44829e+06    4.78426e+05   -1.96987e+06    2.56430e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10172e+02   -2.07062e+02   -3.06883e+01    5.15960e-06


DD  step 240389999 load imb.: force 15.2%  pme mesh/force 0.721
           Step           Time
      240390000   480780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93972e+03    1.95141e+04    1.29768e+04    1.16435e+03   -3.03784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88124e+03    9.31574e+04    4.03247e+05   -2.33989e+04   -2.98049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65837e+04   -2.44747e+06    4.79357e+05   -1.96811e+06    2.56435e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10776e+02   -2.07512e+02    1.06475e+02    5.16596e-06


DD  step 240394999 load imb.: force 15.2%  pme mesh/force 0.726
           Step           Time
      240395000   480790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91209e+03    1.94841e+04    1.29629e+04    1.19332e+03   -2.97302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77133e+03    9.29039e+04    4.00536e+05   -2.33740e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64741e+04   -2.44806e+06    4.80407e+05   -1.96766e+06    2.56441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.07071e+02   -7.37584e+00    5.19861e-06


DD  step 240399999 load imb.: force 17.2%  pme mesh/force 0.730
           Step           Time
      240400000   480800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04306e+03    1.93847e+04    1.30737e+04    1.21799e+03   -3.01475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85163e+03    9.27377e+04    3.97823e+05   -2.33621e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64573e+04   -2.44789e+06    4.78724e+05   -1.96917e+06    2.56447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10365e+02   -2.06860e+02   -1.02460e+02    5.28521e-06


DD  step 240404999 load imb.: force 13.4%  pme mesh/force 0.727
           Step           Time
      240405000   480810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11771e+03    1.95516e+04    1.31336e+04    1.13485e+03   -2.90883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75601e+03    9.26983e+04    4.01931e+05   -2.34016e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66406e+04   -2.44834e+06    4.78382e+05   -1.96996e+06    2.56453e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10144e+02   -2.07560e+02    1.02386e-01    5.22940e-06

Writing checkpoint, step 240407850 at Wed Nov  8 10:46:28 2023



DD  step 240409999 load imb.: force 15.4%  pme mesh/force 0.708
           Step           Time
      240410000   480820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95686e+03    1.97297e+04    1.30174e+04    1.09724e+03   -3.05381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93408e+03    9.24467e+04    4.01485e+05   -2.33421e+04   -2.97853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65031e+04   -2.44775e+06    4.81451e+05   -1.96630e+06    2.56458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12133e+02   -2.06507e+02    1.40393e+01    5.17700e-06


DD  step 240414999 load imb.: force 16.3%  pme mesh/force 0.721
           Step           Time
      240415000   480830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15302e+03    1.91873e+04    1.28728e+04    1.06121e+03   -3.03582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97517e+03    9.28626e+04    4.01301e+05   -2.33455e+04   -2.97667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64485e+04   -2.44619e+06    4.80786e+05   -1.96540e+06    2.56464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11702e+02   -2.06566e+02    1.41760e+01    5.34233e-06


DD  step 240419999 load imb.: force 16.7%  pme mesh/force 0.736
           Step           Time
      240420000   480840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93603e+03    1.95439e+04    1.31725e+04    1.06683e+03   -2.98502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83876e+03    9.26208e+04    4.01730e+05   -2.33947e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64730e+04   -2.44867e+06    4.80533e+05   -1.96814e+06    2.56470e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11538e+02   -2.07437e+02   -1.31409e+01    5.17169e-06


DD  step 240424999 load imb.: force 14.1%  pme mesh/force 0.708
           Step           Time
      240425000   480850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05309e+03    1.91946e+04    1.32751e+04    1.15206e+03   -2.95773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80805e+03    9.29950e+04    4.01864e+05   -2.33830e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64867e+04   -2.44796e+06    4.78796e+05   -1.96916e+06    2.56476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10412e+02   -2.07231e+02    8.57262e+00    5.15720e-06


DD  step 240429999 load imb.: force 15.7%  pme mesh/force 0.708
           Step           Time
      240430000   480860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30334e+03    1.95050e+04    1.31483e+04    1.31037e+03   -3.01326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75264e+03    9.26384e+04    3.99335e+05   -2.33192e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64610e+04   -2.44698e+06    4.78991e+05   -1.96798e+06    2.56482e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10539e+02   -2.06102e+02   -9.32035e+01    5.38560e-06


DD  step 240434999 load imb.: force 18.1%  pme mesh/force 0.735
           Step           Time
      240435000   480870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16416e+03    1.98123e+04    1.31048e+04    1.14374e+03   -3.11363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84745e+03    9.27537e+04    3.99502e+05   -2.33517e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66073e+04   -2.44766e+06    4.78011e+05   -1.96965e+06    2.56488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09903e+02   -2.06676e+02   -5.66879e+01    5.19230e-06


DD  step 240439999 load imb.: force 13.9%  pme mesh/force 0.712
           Step           Time
      240440000   480880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16008e+03    1.95888e+04    1.30898e+04    1.08877e+03   -2.99729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82559e+03    9.27452e+04    4.01250e+05   -2.33602e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64494e+04   -2.44728e+06    4.78838e+05   -1.96844e+06    2.56493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10439e+02   -2.06827e+02   -6.30855e+01    5.19891e-06


DD  step 240444999 load imb.: force 16.2%  pme mesh/force 0.685
           Step           Time
      240445000   480890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22678e+03    1.94266e+04    1.28136e+04    1.32256e+03   -3.11972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72415e+03    9.27389e+04    3.99080e+05   -2.34076e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64845e+04   -2.44797e+06    4.78603e+05   -1.96937e+06    2.56499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.07666e+02   -6.10063e+01    5.32725e-06


DD  step 240449999 load imb.: force 14.4%  pme mesh/force 0.713
           Step           Time
      240450000   480900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90143e+03    1.92794e+04    1.31033e+04    1.19622e+03   -3.00085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85439e+03    9.28719e+04    4.00093e+05   -2.33501e+04   -2.97768e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63983e+04   -2.44833e+06    4.79083e+05   -1.96925e+06    2.56505e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10598e+02   -2.06647e+02   -1.29468e+01    5.23813e-06


DD  step 240454999 load imb.: force 16.6%  pme mesh/force 0.698
           Step           Time
      240455000   480910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70869e+03    1.94578e+04    1.30876e+04    1.17309e+03   -3.07286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91392e+03    9.26068e+04    4.01210e+05   -2.34032e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65068e+04   -2.44905e+06    4.81442e+05   -1.96761e+06    2.56510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12127e+02   -2.07588e+02    6.21295e+01    5.21975e-06


DD  step 240459999 load imb.: force 16.7%  pme mesh/force 0.720
           Step           Time
      240460000   480920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86819e+03    1.91030e+04    1.30597e+04    1.15454e+03   -2.96827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83636e+03    9.29179e+04    3.99363e+05   -2.33810e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63353e+04   -2.44804e+06    4.78265e+05   -1.96977e+06    2.56516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10068e+02   -2.07194e+02    4.45416e+00    5.43410e-06


DD  step 240464999 load imb.: force 15.5%  pme mesh/force 0.723
           Step           Time
      240465000   480930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18761e+03    1.93882e+04    1.29482e+04    1.17015e+03   -3.03278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95950e+03    9.27863e+04    3.98050e+05   -2.33629e+04   -2.96934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66298e+04   -2.44162e+06    4.81584e+05   -1.96003e+06    2.56522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12219e+02   -2.06874e+02   -4.76894e+01    5.15840e-06


DD  step 240469999 load imb.: force 16.1%  pme mesh/force 0.724
           Step           Time
      240470000   480940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97914e+03    1.95332e+04    1.30846e+04    1.17207e+03   -3.04427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78305e+03    9.27556e+04    3.99927e+05   -2.33780e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65033e+04   -2.44691e+06    4.80117e+05   -1.96680e+06    2.56528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.07142e+02   -2.97572e+01    5.27126e-06


DD  step 240474999 load imb.: force 15.7%  pme mesh/force 0.679
           Step           Time
      240475000   480950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86624e+03    1.93147e+04    1.30886e+04    1.12528e+03   -2.99407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96473e+03    9.27894e+04    4.01798e+05   -2.34415e+04   -2.97910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64290e+04   -2.44816e+06    4.78864e+05   -1.96929e+06    2.56534e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10456e+02   -2.08268e+02    8.94856e+01    5.18070e-06


DD  step 240479999 load imb.: force 17.5%  pme mesh/force 0.756
           Step           Time
      240480000   480960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99163e+03    1.97246e+04    1.31634e+04    1.25699e+03   -3.14903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00665e+03    9.25907e+04    4.00905e+05   -2.33870e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65022e+04   -2.44626e+06    4.81325e+05   -1.96493e+06    2.56540e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12052e+02   -2.07302e+02    5.38603e+01    5.20422e-06


DD  step 240484999 load imb.: force 17.7%  pme mesh/force 0.765
           Step           Time
      240485000   480970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79115e+03    1.91546e+04    1.29459e+04    1.11778e+03   -2.91117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86197e+03    9.32091e+04    4.01956e+05   -2.33591e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65695e+04   -2.44553e+06    4.78263e+05   -1.96727e+06    2.56545e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10066e+02   -2.06806e+02    5.37072e+01    5.28810e-06


DD  step 240489999 load imb.: force 15.1%  pme mesh/force 0.711
           Step           Time
      240490000   480980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10952e+03    1.90317e+04    1.31583e+04    1.08610e+03   -2.99004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86670e+03    9.30971e+04    4.02110e+05   -2.34007e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66146e+04   -2.44545e+06    4.80005e+05   -1.96544e+06    2.56551e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.07543e+02    6.57839e+01    5.17240e-06


DD  step 240494999 load imb.: force 15.9%  pme mesh/force 0.717
           Step           Time
      240495000   480990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.45071e+03    1.94999e+04    1.32217e+04    1.11726e+03   -3.02626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76310e+03    9.29217e+04    4.01382e+05   -2.34028e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63988e+04   -2.44564e+06    4.81154e+05   -1.96449e+06    2.56557e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11941e+02   -2.07581e+02   -1.16837e+01    5.12885e-06


DD  step 240499999 load imb.: force 14.8%  pme mesh/force 0.712
           Step           Time
      240500000   481000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12296e+03    1.96063e+04    1.29822e+04    1.14002e+03   -3.11077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74506e+03    9.28662e+04    3.99494e+05   -2.33920e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64992e+04   -2.44785e+06    4.81678e+05   -1.96617e+06    2.56562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12280e+02   -2.07389e+02   -7.32204e+01    5.11176e-06


DD  step 240504999 load imb.: force 15.6%  pme mesh/force 0.725
           Step           Time
      240505000   481010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03872e+03    1.94218e+04    1.30535e+04    1.15918e+03   -2.97975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91849e+03    9.34205e+04    4.00284e+05   -2.33381e+04   -2.97323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63869e+04   -2.44287e+06    4.78242e+05   -1.96463e+06    2.56568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10053e+02   -2.06435e+02    1.13203e+00    5.25950e-06


DD  step 240509999 load imb.: force 16.3%  pme mesh/force 0.704
           Step           Time
      240510000   481020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82671e+03    1.92351e+04    1.29082e+04    1.12612e+03   -2.96724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92244e+03    9.34909e+04    3.99059e+05   -2.33520e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66899e+04   -2.44794e+06    4.80010e+05   -1.96793e+06    2.56573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.06681e+02   -3.49266e+01    5.14796e-06


DD  step 240514999 load imb.: force 16.9%  pme mesh/force 0.717
           Step           Time
      240515000   481030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03975e+03    1.99690e+04    1.31611e+04    1.17122e+03   -2.93464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82331e+03    9.28512e+04    3.99432e+05   -2.33801e+04   -2.97314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65486e+04   -2.44346e+06    4.80825e+05   -1.96263e+06    2.56580e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11728e+02   -2.07179e+02   -4.14305e+01    5.25925e-06


DD  step 240519999 load imb.: force 14.8%  pme mesh/force 0.706
           Step           Time
      240520000   481040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79220e+03    1.93325e+04    1.32374e+04    1.16358e+03   -2.95843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81691e+03    9.28936e+04    4.02343e+05   -2.33954e+04   -2.98102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64454e+04   -2.44934e+06    4.79286e+05   -1.97006e+06    2.56585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10730e+02   -2.07450e+02    3.63385e+01    5.14074e-06


DD  step 240524999 load imb.: force 17.7%  pme mesh/force 0.738
           Step           Time
      240525000   481050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91279e+03    1.93748e+04    1.29428e+04    1.22185e+03   -2.95067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84431e+03    9.34110e+04    4.00440e+05   -2.33849e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69408e+04   -2.44697e+06    4.80821e+05   -1.96615e+06    2.56591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11725e+02   -2.07263e+02    2.65664e+01    5.17022e-06


DD  step 240529999 load imb.: force 15.6%  pme mesh/force 0.727
           Step           Time
      240530000   481060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13107e+03    1.93610e+04    1.31549e+04    1.18957e+03   -3.05767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81075e+03    9.29187e+04    4.00056e+05   -2.33844e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64036e+04   -2.44798e+06    4.79903e+05   -1.96808e+06    2.56597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11130e+02   -2.07255e+02   -2.24563e+01    5.20880e-06


DD  step 240534999 load imb.: force 16.4%  pme mesh/force 0.743
           Step           Time
      240535000   481070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88529e+03    1.95869e+04    1.29836e+04    1.19791e+03   -2.94702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65365e+03    9.29601e+04    4.04454e+05   -2.33907e+04   -2.98396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65878e+04   -2.44999e+06    4.81871e+05   -1.96812e+06    2.56603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12406e+02   -2.07367e+02    2.35855e+01    5.12894e-06


DD  step 240539999 load imb.: force 16.4%  pme mesh/force 0.716
           Step           Time
      240540000   481080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15095e+03    1.96111e+04    1.30115e+04    1.15667e+03   -3.08490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79597e+03    9.28350e+04    4.00740e+05   -2.33902e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64216e+04   -2.44638e+06    4.80035e+05   -1.96635e+06    2.56609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.07357e+02   -5.49625e+00    5.11983e-06


DD  step 240544999 load imb.: force 17.2%  pme mesh/force 0.746
           Step           Time
      240545000   481090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99374e+03    1.94042e+04    1.31903e+04    1.18906e+03   -3.10086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91649e+03    9.26355e+04    3.98829e+05   -2.33352e+04   -2.97448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63640e+04   -2.44640e+06    4.78824e+05   -1.96757e+06    2.56614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10430e+02   -2.06385e+02   -6.01034e+01    5.23898e-06


DD  step 240549999 load imb.: force 16.5%  pme mesh/force 0.710
           Step           Time
      240550000   481100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23917e+03    1.96524e+04    1.31673e+04    1.23178e+03   -3.16772e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88629e+03    9.28740e+04    4.02241e+05   -2.33572e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68226e+04   -2.44256e+06    4.80798e+05   -1.96176e+06    2.56621e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.06773e+02    6.11290e+01    5.11276e-06


DD  step 240554999 load imb.: force 16.2%  pme mesh/force 0.738
           Step           Time
      240555000   481110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90010e+03    1.93663e+04    1.30069e+04    1.19825e+03   -3.03905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77116e+03    9.29102e+04    3.99697e+05   -2.33878e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63481e+04   -2.44788e+06    4.78040e+05   -1.96984e+06    2.56626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09922e+02   -2.07314e+02   -2.04895e+01    5.20884e-06


DD  step 240559999 load imb.: force 20.8%  pme mesh/force 0.734
           Step           Time
      240560000   481120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16494e+03    1.95728e+04    1.29980e+04    1.17823e+03   -3.02460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88651e+03    9.29305e+04    3.98294e+05   -2.34481e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63696e+04   -2.44686e+06    4.79428e+05   -1.96744e+06    2.56632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10822e+02   -2.08383e+02   -4.45232e+01    5.08516e-06


DD  step 240564999 load imb.: force 15.8%  pme mesh/force 0.706
           Step           Time
      240565000   481130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00920e+03    1.93774e+04    1.31443e+04    1.19240e+03   -2.97801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81673e+03    9.29944e+04    4.00207e+05   -2.33613e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64406e+04   -2.45074e+06    4.78591e+05   -1.97215e+06    2.56638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10279e+02   -2.06846e+02   -8.88327e+01    5.14135e-06


DD  step 240569999 load imb.: force 16.5%  pme mesh/force 0.732
           Step           Time
      240570000   481140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96669e+03    1.94018e+04    1.31431e+04    1.24269e+03   -3.04866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91754e+03    9.27578e+04    4.00787e+05   -2.33646e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64519e+04   -2.44857e+06    4.78070e+05   -1.97050e+06    2.56644e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09941e+02   -2.06905e+02    9.96765e-01    5.20339e-06


DD  step 240574999 load imb.: force 16.1%  pme mesh/force 0.708
           Step           Time
      240575000   481150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22530e+03    1.97811e+04    1.31595e+04    1.21537e+03   -3.13519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87432e+03    9.26061e+04    4.00446e+05   -2.33721e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66094e+04   -2.44537e+06    4.78802e+05   -1.96657e+06    2.56650e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10416e+02   -2.07037e+02    5.42804e+00    5.19648e-06


DD  step 240579999 load imb.: force 16.5%  pme mesh/force 0.724
           Step           Time
      240580000   481160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04915e+03    1.95254e+04    1.31700e+04    1.21004e+03   -3.02180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87456e+03    9.26057e+04    4.00422e+05   -2.33898e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64821e+04   -2.44563e+06    4.78780e+05   -1.96685e+06    2.56655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10402e+02   -2.07351e+02    2.51940e+01    5.15101e-06


DD  step 240584999 load imb.: force 14.7%  pme mesh/force 0.702
           Step           Time
      240585000   481170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13864e+03    1.90185e+04    1.30515e+04    1.20977e+03   -2.87317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69711e+03    9.32047e+04    3.99303e+05   -2.34010e+04   -2.97593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66956e+04   -2.44689e+06    4.81720e+05   -1.96517e+06    2.56661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12308e+02   -2.07549e+02   -5.97796e+01    5.25730e-06


DD  step 240589999 load imb.: force 16.6%  pme mesh/force 0.745
           Step           Time
      240590000   481180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02706e+03    1.95336e+04    1.31171e+04    1.19476e+03   -2.93240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97803e+03    9.25396e+04    3.98598e+05   -2.33799e+04   -2.97341e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64781e+04   -2.44525e+06    4.76999e+05   -1.96825e+06    2.56667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09247e+02   -2.07175e+02   -1.92617e+01    5.18323e-06


DD  step 240594999 load imb.: force 16.2%  pme mesh/force 0.743
           Step           Time
      240595000   481190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05840e+03    1.96650e+04    1.31557e+04    1.21177e+03   -3.00152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85098e+03    9.30402e+04    4.01029e+05   -2.33834e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65403e+04   -2.44580e+06    4.80170e+05   -1.96563e+06    2.56673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.07237e+02    4.07440e+01    5.30859e-06


DD  step 240599999 load imb.: force 16.1%  pme mesh/force 0.736
           Step           Time
      240600000   481200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76975e+03    1.96475e+04    1.33075e+04    1.21428e+03   -2.98656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84633e+03    9.33083e+04    3.98028e+05   -2.34202e+04   -2.97327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64007e+04   -2.44515e+06    4.81637e+05   -1.96352e+06    2.56678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12254e+02   -2.07889e+02    2.58018e+01    5.27628e-06


DD  step 240604999 load imb.: force 16.7%  pme mesh/force 0.728
           Step           Time
      240605000   481210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74585e+03    1.93643e+04    1.31248e+04    1.16024e+03   -3.04812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91145e+03    9.32654e+04    3.99114e+05   -2.33580e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64460e+04   -2.44869e+06    4.81031e+05   -1.96765e+06    2.56684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11861e+02   -2.06787e+02   -2.33987e+01    5.36730e-06


DD  step 240609999 load imb.: force 15.5%  pme mesh/force 0.722
           Step           Time
      240610000   481220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05658e+03    1.90684e+04    1.31578e+04    1.15734e+03   -3.17225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86137e+03    9.26762e+04    4.00723e+05   -2.33971e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66050e+04   -2.44742e+06    4.81187e+05   -1.96623e+06    2.56690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11962e+02   -2.07480e+02    2.46186e+01    5.20146e-06


DD  step 240614999 load imb.: force 14.8%  pme mesh/force 0.719
           Step           Time
      240615000   481230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96574e+03    1.96348e+04    1.30589e+04    1.21313e+03   -2.98239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94391e+03    9.25335e+04    3.99167e+05   -2.33774e+04   -2.97701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64606e+04   -2.44840e+06    4.77630e+05   -1.97077e+06    2.56696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09656e+02   -2.07131e+02    1.23476e+01    5.22898e-06


DD  step 240619999 load imb.: force 16.1%  pme mesh/force 0.690
           Step           Time
      240620000   481240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79512e+03    1.96129e+04    1.31830e+04    1.10494e+03   -2.98254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80546e+03    9.27738e+04    4.02452e+05   -2.34190e+04   -2.98079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63566e+04   -2.44911e+06    4.77706e+05   -1.97140e+06    2.56702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09705e+02   -2.07867e+02    7.85304e+01    5.05120e-06


DD  step 240624999 load imb.: force 19.9%  pme mesh/force 0.737
           Step           Time
      240625000   481250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98069e+03    1.97489e+04    1.30197e+04    1.18878e+03   -2.91733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85624e+03    9.23960e+04    3.99805e+05   -2.33863e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65296e+04   -2.44672e+06    4.80354e+05   -1.96636e+06    2.56708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11422e+02   -2.07288e+02   -2.07869e+01    5.18474e-06


DD  step 240629999 load imb.: force 16.7%  pme mesh/force 0.739
           Step           Time
      240630000   481260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92608e+03    1.94943e+04    1.30295e+04    1.22903e+03   -3.01307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86540e+03    9.32156e+04    3.98181e+05   -2.33606e+04   -2.97300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65815e+04   -2.44485e+06    4.78486e+05   -1.96636e+06    2.56714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10211e+02   -2.06833e+02   -4.48336e+01    5.22208e-06


DD  step 240634999 load imb.: force 14.7%  pme mesh/force 0.723
           Step           Time
      240635000   481270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00888e+03    1.92096e+04    1.30696e+04    1.19400e+03   -2.98403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95051e+03    9.23192e+04    4.00283e+05   -2.33622e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63944e+04   -2.44677e+06    4.81004e+05   -1.96577e+06    2.56719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11843e+02   -2.06862e+02    3.66295e+01    5.00376e-06


DD  step 240639999 load imb.: force 17.3%  pme mesh/force 0.737
           Step           Time
      240640000   481280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02546e+03    1.93035e+04    1.30190e+04    1.15730e+03   -3.02406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89159e+03    9.24007e+04    4.02372e+05   -2.33956e+04   -2.98006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65258e+04   -2.44879e+06    4.79127e+05   -1.96966e+06    2.56725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10626e+02   -2.07454e+02    3.12683e+01    5.04963e-06


DD  step 240644999 load imb.: force 15.5%  pme mesh/force 0.709
           Step           Time
      240645000   481290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93784e+03    1.93089e+04    1.31650e+04    1.21141e+03   -2.95434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92381e+03    9.26402e+04    4.01519e+05   -2.34257e+04   -2.98072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64962e+04   -2.44990e+06    4.79688e+05   -1.97021e+06    2.56731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10991e+02   -2.07986e+02    5.69147e+01    5.36213e-06


DD  step 240649999 load imb.: force 16.9%  pme mesh/force 0.719
           Step           Time
      240650000   481300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86961e+03    1.95931e+04    1.29185e+04    1.20949e+03   -2.85625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87499e+03    9.26382e+04    4.03010e+05   -2.33981e+04   -2.98264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64681e+04   -2.45031e+06    4.79758e+05   -1.97055e+06    2.56737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11036e+02   -2.07497e+02    1.29440e+01    5.02650e-06


DD  step 240654999 load imb.: force 14.7%  pme mesh/force 0.705
           Step           Time
      240655000   481310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80986e+03    1.96595e+04    1.30224e+04    1.18369e+03   -3.02368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88490e+03    9.26289e+04    3.99622e+05   -2.34297e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63492e+04   -2.44712e+06    4.78921e+05   -1.96820e+06    2.56743e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10493e+02   -2.08057e+02    7.42856e+00    5.15861e-06


DD  step 240659999 load imb.: force 16.9%  pme mesh/force 0.739
           Step           Time
      240660000   481320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05474e+03    1.92651e+04    1.31952e+04    1.15671e+03   -3.04212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86177e+03    9.30481e+04    3.99671e+05   -2.34504e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65741e+04   -2.44787e+06    4.79526e+05   -1.96834e+06    2.56749e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.08425e+02    6.46274e+00    5.11227e-06


DD  step 240664999 load imb.: force 15.7%  pme mesh/force 0.708
           Step           Time
      240665000   481330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94943e+03    1.92487e+04    1.30150e+04    1.16734e+03   -2.96371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78780e+03    9.25661e+04    3.98842e+05   -2.33850e+04   -2.97320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64652e+04   -2.44551e+06    4.78963e+05   -1.96655e+06    2.56754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10520e+02   -2.07266e+02   -4.37110e+01    5.16487e-06


DD  step 240669999 load imb.: force 16.5%  pme mesh/force 0.714
           Step           Time
      240670000   481340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20177e+03    1.93341e+04    1.29866e+04    1.22244e+03   -3.02538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93325e+03    9.14989e+04    4.00553e+05   -2.33830e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65894e+04   -2.44686e+06    4.78602e+05   -1.96826e+06    2.56760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10286e+02   -2.07230e+02    2.79064e+01    5.09168e-06


DD  step 240674999 load imb.: force 15.5%  pme mesh/force 0.697
           Step           Time
      240675000   481350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01577e+03    1.94875e+04    1.29998e+04    1.21885e+03   -3.02056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88788e+03    9.23795e+04    4.00129e+05   -2.34229e+04   -2.97641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64703e+04   -2.44726e+06    4.80214e+05   -1.96705e+06    2.56766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11332e+02   -2.07937e+02    3.38206e+01    5.22836e-06


DD  step 240679999 load imb.: force 16.0%  pme mesh/force 0.703
           Step           Time
      240680000   481360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17992e+03    1.94487e+04    1.31945e+04    1.08685e+03   -3.05665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71930e+03    9.30910e+04    4.00104e+05   -2.34242e+04   -2.97855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62392e+04   -2.44897e+06    4.78773e+05   -1.97019e+06    2.56772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10397e+02   -2.07960e+02   -6.27241e+01    5.11415e-06


DD  step 240684999 load imb.: force 16.8%  pme mesh/force 0.712
           Step           Time
      240685000   481370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77152e+03    1.94150e+04    1.32887e+04    1.12248e+03   -3.10105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88409e+03    9.31158e+04    4.02172e+05   -2.33764e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66058e+04   -2.44699e+06    4.80469e+05   -1.96652e+06    2.56778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11497e+02   -2.07113e+02    6.95843e+01    5.02101e-06


DD  step 240689999 load imb.: force 15.8%  pme mesh/force 0.704
           Step           Time
      240690000   481380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95863e+03    1.95053e+04    1.33496e+04    1.10476e+03   -3.06236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77082e+03    9.30312e+04    4.03643e+05   -2.34051e+04   -2.97992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64950e+04   -2.44653e+06    4.78315e+05   -1.96821e+06    2.56784e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10100e+02   -2.07621e+02    9.16046e+01    5.18363e-06


DD  step 240694999 load imb.: force 14.4%  pme mesh/force 0.683
           Step           Time
      240695000   481390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02115e+03    1.92271e+04    1.30597e+04    1.19729e+03   -2.95256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84244e+03    9.31504e+04    4.02679e+05   -2.34024e+04   -2.97718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64196e+04   -2.44494e+06    4.80327e+05   -1.96461e+06    2.56789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11404e+02   -2.07573e+02    1.05062e+02    5.11050e-06


DD  step 240699999 load imb.: force 16.0%  pme mesh/force 0.725
           Step           Time
      240700000   481400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94913e+03    1.94667e+04    1.30937e+04    1.12944e+03   -3.00436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75559e+03    9.29430e+04    4.02929e+05   -2.33533e+04   -2.98104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64493e+04   -2.44868e+06    4.80808e+05   -1.96787e+06    2.56796e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11716e+02   -2.06704e+02    1.34449e+01    5.24038e-06


DD  step 240704999 load imb.: force 16.0%  pme mesh/force 0.729
           Step           Time
      240705000   481410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14120e+03    1.93727e+04    1.30645e+04    1.24086e+03   -3.00676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79190e+03    9.30156e+04    4.01148e+05   -2.33967e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62804e+04   -2.44633e+06    4.80270e+05   -1.96606e+06    2.56801e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11367e+02   -2.07473e+02    4.00836e+01    5.27292e-06


DD  step 240709999 load imb.: force 15.5%  pme mesh/force 0.698
           Step           Time
      240710000   481420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04044e+03    1.93420e+04    1.31859e+04    1.25161e+03   -2.93387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84936e+03    9.32464e+04    4.01916e+05   -2.34363e+04   -2.97944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63163e+04   -2.44766e+06    4.79021e+05   -1.96864e+06    2.56807e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.08174e+02    4.95615e+01    5.02770e-06


DD  step 240714999 load imb.: force 14.8%  pme mesh/force 0.693
           Step           Time
      240715000   481430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15875e+03    1.94638e+04    1.32282e+04    1.11077e+03   -2.87753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72878e+03    9.26199e+04    4.03064e+05   -2.34201e+04   -2.97968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65584e+04   -2.44704e+06    4.79141e+05   -1.96790e+06    2.56813e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10635e+02   -2.07887e+02    6.51216e+01    5.14278e-06


DD  step 240719999 load imb.: force 16.3%  pme mesh/force 0.720
           Step           Time
      240720000   481440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88213e+03    1.91986e+04    1.32376e+04    1.24189e+03   -2.98324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94201e+03    9.27957e+04    3.99004e+05   -2.33489e+04   -2.97261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66552e+04   -2.44398e+06    4.79760e+05   -1.96422e+06    2.56818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11037e+02   -2.06627e+02    7.90105e+00    5.22688e-06


DD  step 240724999 load imb.: force 15.8%  pme mesh/force 0.727
           Step           Time
      240725000   481450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77933e+03    1.90824e+04    1.28433e+04    1.15530e+03   -2.88205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82902e+03    9.31818e+04    4.01044e+05   -2.34219e+04   -2.98155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63852e+04   -2.45156e+06    4.78254e+05   -1.97330e+06    2.56824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10060e+02   -2.07919e+02    1.16751e+01    5.04954e-06


DD  step 240729999 load imb.: force 16.5%  pme mesh/force 0.772
           Step           Time
      240730000   481460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99256e+03    1.89335e+04    1.30973e+04    1.18662e+03   -2.96413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92957e+03    9.30935e+04    3.98998e+05   -2.33311e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65037e+04   -2.44527e+06    4.79920e+05   -1.96535e+06    2.56830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11141e+02   -2.06312e+02    6.68716e-01    5.12704e-06


DD  step 240734999 load imb.: force 16.6%  pme mesh/force 0.716
           Step           Time
      240735000   481470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34020e+03    1.94010e+04    1.29560e+04    1.17823e+03   -3.04046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74638e+03    9.30619e+04    3.99727e+05   -2.34252e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64256e+04   -2.44737e+06    4.80280e+05   -1.96709e+06    2.56836e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11374e+02   -2.07978e+02   -2.23076e+01    5.09259e-06


DD  step 240739999 load imb.: force 16.4%  pme mesh/force 0.705
           Step           Time
      240740000   481480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96848e+03    1.96334e+04    1.31293e+04    1.21006e+03   -3.07755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02795e+03    9.28759e+04    4.00717e+05   -2.34061e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65296e+04   -2.44763e+06    4.80840e+05   -1.96679e+06    2.56842e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11737e+02   -2.07638e+02    1.01754e+02    5.03751e-06


DD  step 240744999 load imb.: force 16.2%  pme mesh/force 0.722
           Step           Time
      240745000   481490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88571e+03    1.97105e+04    1.31158e+04    1.23260e+03   -3.04512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90726e+03    9.25834e+04    4.03523e+05   -2.33891e+04   -2.98119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64493e+04   -2.44822e+06    4.77393e+05   -1.97082e+06    2.56848e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09502e+02   -2.07338e+02    1.12615e+02    5.12872e-06

Writing checkpoint, step 240745100 at Wed Nov  8 11:01:28 2023



DD  step 240749999 load imb.: force 15.0%  pme mesh/force 0.723
           Step           Time
      240750000   481500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04308e+03    1.92082e+04    1.30984e+04    1.22547e+03   -2.87400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85316e+03    9.30834e+04    4.01062e+05   -2.33919e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63738e+04   -2.44688e+06    4.79188e+05   -1.96770e+06    2.56854e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10666e+02   -2.07388e+02    2.62306e+01    5.24726e-06


DD  step 240754999 load imb.: force 17.7%  pme mesh/force 0.710
           Step           Time
      240755000   481510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03288e+03    1.94803e+04    1.29925e+04    1.09448e+03   -3.02697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87230e+03    9.23143e+04    4.00730e+05   -2.34074e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65472e+04   -2.44673e+06    4.79858e+05   -1.96687e+06    2.56859e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11100e+02   -2.07662e+02    4.44768e+00    5.14523e-06


DD  step 240759999 load imb.: force 16.1%  pme mesh/force 0.727
           Step           Time
      240760000   481520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89472e+03    1.94252e+04    1.31429e+04    1.15404e+03   -3.09570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89219e+03    9.23009e+04    4.00966e+05   -2.33853e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65503e+04   -2.44526e+06    4.80427e+05   -1.96484e+06    2.56865e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.07271e+02    8.00546e+01    5.20570e-06


DD  step 240764999 load imb.: force 16.2%  pme mesh/force 0.742
           Step           Time
      240765000   481530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90450e+03    1.95788e+04    1.29859e+04    1.15131e+03   -3.15354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81817e+03    9.22135e+04    4.01460e+05   -2.34113e+04   -2.97865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65395e+04   -2.44856e+06    4.79832e+05   -1.96873e+06    2.56871e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11084e+02   -2.07731e+02    8.31841e+00    5.17949e-06


DD  step 240769999 load imb.: force 18.8%  pme mesh/force 0.765
           Step           Time
      240770000   481540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97051e+03    1.91590e+04    1.32150e+04    1.22934e+03   -3.01505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77092e+03    9.23778e+04    4.02690e+05   -2.33924e+04   -2.98213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64379e+04   -2.45069e+06    4.78152e+05   -1.97254e+06    2.56876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09994e+02   -2.07397e+02   -7.70847e+00    5.05974e-06


DD  step 240774999 load imb.: force 15.9%  pme mesh/force 0.732
           Step           Time
      240775000   481550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04206e+03    1.96035e+04    1.31358e+04    1.13135e+03   -3.07249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89266e+03    9.24142e+04    3.96976e+05   -2.33580e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62608e+04   -2.44897e+06    4.79214e+05   -1.96975e+06    2.56882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.06788e+02   -1.74191e+02    5.15196e-06


DD  step 240779999 load imb.: force 17.4%  pme mesh/force 0.735
           Step           Time
      240780000   481560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04006e+03    1.95567e+04    1.30959e+04    1.21452e+03   -2.96610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68405e+03    9.26745e+04    4.00981e+05   -2.33489e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65470e+04   -2.44691e+06    4.80766e+05   -1.96614e+06    2.56888e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11689e+02   -2.06626e+02   -2.02013e+01    5.02630e-06


DD  step 240784999 load imb.: force 16.1%  pme mesh/force 0.720
           Step           Time
      240785000   481570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29056e+03    1.93034e+04    1.30852e+04    1.16007e+03   -2.97259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74639e+03    9.23211e+04    4.01187e+05   -2.33793e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65264e+04   -2.44626e+06    4.79733e+05   -1.96653e+06    2.56894e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11019e+02   -2.07164e+02    1.79068e+01    5.16806e-06


DD  step 240789999 load imb.: force 17.1%  pme mesh/force 0.724
           Step           Time
      240790000   481580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93757e+03    1.92609e+04    1.31014e+04    1.14796e+03   -2.93090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94929e+03    9.29800e+04    3.99654e+05   -2.33871e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65469e+04   -2.44513e+06    4.77492e+05   -1.96764e+06    2.56900e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09567e+02   -2.07302e+02   -1.47441e+00    5.22745e-06


DD  step 240794999 load imb.: force 17.4%  pme mesh/force 0.713
           Step           Time
      240795000   481590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68324e+03    1.96466e+04    1.30441e+04    1.20799e+03   -3.08320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.11828e+03    9.25737e+04    3.99956e+05   -2.33837e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65826e+04   -2.44476e+06    4.79587e+05   -1.96518e+06    2.56906e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.07242e+02    5.37291e+01    5.23097e-06


DD  step 240799999 load imb.: force 16.2%  pme mesh/force 0.738
           Step           Time
      240800000   481600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93761e+03    1.93916e+04    1.30489e+04    1.23351e+03   -2.88985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87579e+03    9.25155e+04    3.97986e+05   -2.33750e+04   -2.97247e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63525e+04   -2.44540e+06    4.78522e+05   -1.96687e+06    2.56911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10235e+02   -2.07088e+02   -2.41518e+01    5.13979e-06


DD  step 240804999 load imb.: force 15.4%  pme mesh/force 0.727
           Step           Time
      240805000   481610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12141e+03    1.96610e+04    1.32335e+04    1.12387e+03   -3.00249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77895e+03    9.26182e+04    4.00054e+05   -2.34157e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67056e+04   -2.44818e+06    4.79822e+05   -1.96836e+06    2.56918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11077e+02   -2.07810e+02   -2.14036e+01    5.31611e-06


DD  step 240809999 load imb.: force 18.3%  pme mesh/force 0.746
           Step           Time
      240810000   481620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93045e+03    1.92816e+04    1.28914e+04    1.14312e+03   -3.02720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87200e+03    9.31093e+04    3.97821e+05   -2.33536e+04   -2.97458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64601e+04   -2.44745e+06    4.80338e+05   -1.96712e+06    2.56923e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11412e+02   -2.06710e+02   -4.75332e+01    5.22456e-06


DD  step 240814999 load imb.: force 14.7%  pme mesh/force 0.699
           Step           Time
      240815000   481630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27615e+03    1.93652e+04    1.30513e+04    1.25424e+03   -2.92535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86165e+03    9.22323e+04    3.98982e+05   -2.33678e+04   -2.97456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64986e+04   -2.44633e+06    4.80836e+05   -1.96550e+06    2.56929e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.06960e+02   -7.48305e+01    5.32590e-06


DD  step 240819999 load imb.: force 17.0%  pme mesh/force 0.688
           Step           Time
      240820000   481640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99195e+03    1.93217e+04    1.31487e+04    1.15093e+03   -3.08400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90990e+03    9.27676e+04    3.99101e+05   -2.33865e+04   -2.97333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64305e+04   -2.44497e+06    4.78161e+05   -1.96681e+06    2.56935e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10000e+02   -2.07292e+02   -2.56133e+01    5.17872e-06


DD  step 240824999 load imb.: force 16.5%  pme mesh/force 0.732
           Step           Time
      240825000   481650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10344e+03    1.94602e+04    1.31903e+04    1.23547e+03   -2.92131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89544e+03    9.22321e+04    3.98163e+05   -2.33601e+04   -2.97153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65617e+04   -2.44397e+06    4.79746e+05   -1.96422e+06    2.56941e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.06826e+02   -5.33051e+01    5.20505e-06


DD  step 240829999 load imb.: force 17.4%  pme mesh/force 0.713
           Step           Time
      240830000   481660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93825e+03    1.94573e+04    1.30349e+04    1.17474e+03   -3.03122e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90874e+03    9.26757e+04    4.00441e+05   -2.34040e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65069e+04   -2.44858e+06    4.79255e+05   -1.96932e+06    2.56946e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.07601e+02    1.00396e+01    5.22208e-06


DD  step 240834999 load imb.: force 17.0%  pme mesh/force 0.705
           Step           Time
      240835000   481670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94442e+03    1.92693e+04    1.30514e+04    1.27997e+03   -3.01390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88298e+03    9.27125e+04    4.00423e+05   -2.33892e+04   -2.97693e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65401e+04   -2.44723e+06    4.79245e+05   -1.96799e+06    2.56952e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.07340e+02   -4.86307e+00    5.35996e-06


DD  step 240839999 load imb.: force 17.0%  pme mesh/force 0.713
           Step           Time
      240840000   481680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15548e+03    1.96325e+04    1.30965e+04    1.11031e+03   -3.04359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72543e+03    9.23052e+04    3.99536e+05   -2.33676e+04   -2.97198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66707e+04   -2.44315e+06    4.81196e+05   -1.96196e+06    2.56958e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11968e+02   -2.06957e+02   -7.68376e+00    5.22436e-06


DD  step 240844999 load imb.: force 16.4%  pme mesh/force 0.726
           Step           Time
      240845000   481690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10527e+03    1.93334e+04    1.30468e+04    1.11836e+03   -3.14850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87306e+03    9.24950e+04    3.98996e+05   -2.33862e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64948e+04   -2.44662e+06    4.79020e+05   -1.96760e+06    2.56964e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.07286e+02   -5.48557e+01    5.13244e-06


DD  step 240849999 load imb.: force 16.4%  pme mesh/force 0.720
           Step           Time
      240850000   481700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88052e+03    1.93818e+04    1.29657e+04    1.16455e+03   -3.04988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74423e+03    9.24189e+04    3.99052e+05   -2.33553e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64303e+04   -2.44888e+06    4.76727e+05   -1.97215e+06    2.56970e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09071e+02   -2.06740e+02   -7.52961e+01    5.15447e-06


DD  step 240854999 load imb.: force 15.7%  pme mesh/force 0.727
           Step           Time
      240855000   481710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11613e+03    1.94646e+04    1.29985e+04    1.14409e+03   -3.01461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94036e+03    9.23439e+04    4.00160e+05   -2.33672e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65868e+04   -2.44708e+06    4.81187e+05   -1.96589e+06    2.56975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11962e+02   -2.06950e+02   -5.88678e+01    5.30789e-06


DD  step 240859999 load imb.: force 15.0%  pme mesh/force 0.713
           Step           Time
      240860000   481720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94966e+03    1.94919e+04    1.30385e+04    1.30861e+03   -2.88822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88465e+03    9.24918e+04    4.00409e+05   -2.33479e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64208e+04   -2.44752e+06    4.79064e+05   -1.96845e+06    2.56981e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.06608e+02   -4.66060e+01    5.12329e-06


DD  step 240864999 load imb.: force 17.7%  pme mesh/force 0.715
           Step           Time
      240865000   481730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13358e+03    1.89901e+04    1.31213e+04    1.24403e+03   -3.03423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85099e+03    9.28681e+04    4.00739e+05   -2.33989e+04   -2.97504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64978e+04   -2.44503e+06    4.80048e+05   -1.96498e+06    2.56987e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.07512e+02    1.40190e+01    5.18209e-06


DD  step 240869999 load imb.: force 15.6%  pme mesh/force 0.735
           Step           Time
      240870000   481740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18943e+03    1.91369e+04    1.32122e+04    1.11701e+03   -2.98217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81554e+03    9.26655e+04    4.00709e+05   -2.33707e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63635e+04   -2.44736e+06    4.78833e+05   -1.96852e+06    2.56993e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10436e+02   -2.07012e+02   -2.78830e+01    5.18107e-06


DD  step 240874999 load imb.: force 16.3%  pme mesh/force 0.711
           Step           Time
      240875000   481750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37221e+03    1.92993e+04    1.31006e+04    1.15761e+03   -2.94783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85673e+03    9.23354e+04    4.02324e+05   -2.33788e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63068e+04   -2.44606e+06    4.81447e+05   -1.96462e+06    2.56998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12130e+02   -2.07156e+02    2.91298e+01    5.14920e-06


DD  step 240879999 load imb.: force 18.1%  pme mesh/force 0.698
           Step           Time
      240880000   481760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11181e+03    1.94902e+04    1.29690e+04    1.22228e+03   -3.06273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85838e+03    9.21246e+04    4.02247e+05   -2.34131e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62662e+04   -2.44685e+06    4.78856e+05   -1.96799e+06    2.57004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.07763e+02    1.34655e+02    5.41036e-06


DD  step 240884999 load imb.: force 16.6%  pme mesh/force 0.724
           Step           Time
      240885000   481770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99388e+03    1.93895e+04    1.32495e+04    1.25543e+03   -3.04464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84485e+03    9.26523e+04    3.97490e+05   -2.33251e+04   -2.97364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65396e+04   -2.44659e+06    4.80661e+05   -1.96593e+06    2.57010e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11621e+02   -2.06206e+02   -1.31473e+02    5.24737e-06


DD  step 240889999 load imb.: force 16.4%  pme mesh/force 0.704
           Step           Time
      240890000   481780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93367e+03    1.95444e+04    1.30081e+04    1.15035e+03   -2.93529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93460e+03    9.27594e+04    3.98278e+05   -2.34111e+04   -2.97507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63808e+04   -2.44743e+06    4.81037e+05   -1.96639e+06    2.57015e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11865e+02   -2.07727e+02   -2.35469e+01    5.01129e-06


DD  step 240894999 load imb.: force 17.3%  pme mesh/force 0.723
           Step           Time
      240895000   481790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01982e+03    1.92992e+04    1.30222e+04    1.16738e+03   -2.89416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83601e+03    9.32831e+04    4.00740e+05   -2.33810e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64147e+04   -2.44480e+06    4.81277e+05   -1.96352e+06    2.57021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12021e+02   -2.07195e+02    4.21963e+01    5.14475e-06


DD  step 240899999 load imb.: force 16.6%  pme mesh/force 0.721
           Step           Time
      240900000   481800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95607e+03    1.93989e+04    1.30474e+04    1.24361e+03   -3.03403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87788e+03    9.28254e+04    3.99695e+05   -2.33941e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64015e+04   -2.44725e+06    4.79775e+05   -1.96748e+06    2.57028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11047e+02   -2.07426e+02   -2.07291e+01    5.22875e-06


DD  step 240904999 load imb.: force 18.2%  pme mesh/force 0.766
           Step           Time
      240905000   481810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90732e+03    1.91799e+04    1.30518e+04    1.16797e+03   -3.10311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79536e+03    9.27061e+04    4.00616e+05   -2.33649e+04   -2.97927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64815e+04   -2.44983e+06    4.79103e+05   -1.97073e+06    2.57033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10611e+02   -2.06910e+02   -5.46027e+01    5.10898e-06


DD  step 240909999 load imb.: force 17.3%  pme mesh/force 0.740
           Step           Time
      240910000   481820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81710e+03    1.92149e+04    1.31113e+04    1.15171e+03   -3.04338e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85750e+03    9.31823e+04    4.00933e+05   -2.34215e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64435e+04   -2.44796e+06    4.79037e+05   -1.96892e+06    2.57039e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10568e+02   -2.07912e+02    1.75457e+01    5.13256e-06


DD  step 240914999 load imb.: force 16.1%  pme mesh/force 0.705
           Step           Time
      240915000   481830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10752e+03    1.93387e+04    1.29952e+04    1.15901e+03   -3.06132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90756e+03    9.26335e+04    3.99406e+05   -2.33326e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64902e+04   -2.44774e+06    4.79763e+05   -1.96798e+06    2.57045e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.06339e+02   -7.65911e+01    5.00864e-06


DD  step 240919999 load imb.: force 19.5%  pme mesh/force 0.739
           Step           Time
      240920000   481840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96603e+03    1.96317e+04    1.30220e+04    1.16054e+03   -3.04610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86135e+03    9.25170e+04    4.01154e+05   -2.33962e+04   -2.97925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62727e+04   -2.44911e+06    4.80646e+05   -1.96846e+06    2.57051e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11611e+02   -2.07464e+02    3.66398e+01    4.86571e-06


DD  step 240924999 load imb.: force 16.7%  pme mesh/force 0.685
           Step           Time
      240925000   481850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22449e+03    1.95226e+04    1.32160e+04    1.17494e+03   -3.06396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78816e+03    9.26298e+04    4.02132e+05   -2.33946e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65011e+04   -2.44575e+06    4.80282e+05   -1.96547e+06    2.57057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11376e+02   -2.07436e+02    2.93688e+01    5.26818e-06


DD  step 240929999 load imb.: force 16.8%  pme mesh/force 0.734
           Step           Time
      240930000   481860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10830e+03    1.94689e+04    1.31248e+04    1.27827e+03   -3.08186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91198e+03    9.22797e+04    3.99643e+05   -2.33553e+04   -2.97496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64623e+04   -2.44612e+06    4.80156e+05   -1.96596e+06    2.57062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11294e+02   -2.06740e+02   -3.75548e+01    5.33231e-06


DD  step 240934999 load imb.: force 18.7%  pme mesh/force 0.750
           Step           Time
      240935000   481870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10619e+03    1.95682e+04    1.31012e+04    1.21018e+03   -3.10820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78305e+03    9.21121e+04    3.99446e+05   -2.34090e+04   -2.97215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63374e+04   -2.44400e+06    4.79048e+05   -1.96496e+06    2.57068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10575e+02   -2.07691e+02    9.19814e+00    5.04913e-06


DD  step 240939999 load imb.: force 17.9%  pme mesh/force 0.710
           Step           Time
      240940000   481880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12475e+03    1.88705e+04    1.31115e+04    1.20976e+03   -2.97904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82803e+03    9.30207e+04    4.02903e+05   -2.33945e+04   -2.98229e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65340e+04   -2.45006e+06    4.78604e+05   -1.97145e+06    2.57074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.07434e+02    3.36447e+01    5.12959e-06


DD  step 240944999 load imb.: force 16.0%  pme mesh/force 0.745
           Step           Time
      240945000   481890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98773e+03    1.96858e+04    1.32228e+04    1.16606e+03   -2.93750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93860e+03    9.27611e+04    3.97826e+05   -2.33946e+04   -2.97368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64734e+04   -2.44595e+06    4.79874e+05   -1.96608e+06    2.57080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.07435e+02   -4.77228e+01    5.07285e-06


DD  step 240949999 load imb.: force 15.4%  pme mesh/force 0.697
           Step           Time
      240950000   481900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14255e+03    1.97778e+04    1.31129e+04    1.19527e+03   -2.96988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73608e+03    9.25210e+04    4.00156e+05   -2.33648e+04   -2.97302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66713e+04   -2.44304e+06    4.78927e+05   -1.96412e+06    2.57086e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.06908e+02   -2.25169e+01    5.13322e-06


DD  step 240954999 load imb.: force 17.6%  pme mesh/force 0.770
           Step           Time
      240955000   481910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94549e+03    1.92462e+04    1.32411e+04    1.18759e+03   -2.99537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79651e+03    9.28700e+04    4.00496e+05   -2.33881e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66605e+04   -2.44584e+06    4.79247e+05   -1.96660e+06    2.57091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.07321e+02    2.53618e+01    5.07545e-06


DD  step 240959999 load imb.: force 17.9%  pme mesh/force 0.719
           Step           Time
      240960000   481920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84423e+03    1.94482e+04    1.30951e+04    1.16440e+03   -3.03748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87584e+03    9.22913e+04    4.01855e+05   -2.33755e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64666e+04   -2.44766e+06    4.77772e+05   -1.96989e+06    2.57097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09748e+02   -2.07097e+02    5.13700e+01    5.03221e-06


DD  step 240964999 load imb.: force 15.8%  pme mesh/force 0.711
           Step           Time
      240965000   481930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97233e+03    1.94798e+04    1.30744e+04    1.19599e+03   -2.97659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91609e+03    9.24376e+04    3.98638e+05   -2.33786e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65336e+04   -2.44554e+06    4.80221e+05   -1.96532e+06    2.57103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11336e+02   -2.07153e+02    1.06340e+01    5.09376e-06


DD  step 240969999 load imb.: force 18.5%  pme mesh/force 0.769
           Step           Time
      240970000   481940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07989e+03    1.96520e+04    1.32243e+04    1.17699e+03   -3.04032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96327e+03    9.24796e+04    3.99250e+05   -2.33503e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66016e+04   -2.44619e+06    4.79996e+05   -1.96619e+06    2.57109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11190e+02   -2.06651e+02   -3.37100e+00    5.13245e-06


DD  step 240974999 load imb.: force 16.0%  pme mesh/force 0.713
           Step           Time
      240975000   481950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08563e+03    1.94872e+04    1.31519e+04    1.17909e+03   -2.91422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94186e+03    9.23806e+04    3.99113e+05   -2.33802e+04   -2.97395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65633e+04   -2.44534e+06    4.80898e+05   -1.96444e+06    2.57114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11775e+02   -2.07181e+02   -1.63138e+01    5.16857e-06


DD  step 240979999 load imb.: force 15.5%  pme mesh/force 0.705
           Step           Time
      240980000   481960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01339e+03    1.90473e+04    1.29898e+04    1.14784e+03   -2.91883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87915e+03    9.30648e+04    3.98466e+05   -2.33668e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63887e+04   -2.45135e+06    4.78802e+05   -1.97255e+06    2.57120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10416e+02   -2.06944e+02   -7.55370e+01    4.88614e-06


DD  step 240984999 load imb.: force 16.8%  pme mesh/force 0.719
           Step           Time
      240985000   481970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09372e+03    1.98367e+04    1.29979e+04    1.14762e+03   -3.09633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71544e+03    9.24216e+04    4.01092e+05   -2.34136e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65629e+04   -2.44809e+06    4.80988e+05   -1.96710e+06    2.57126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.07773e+02   -6.59341e+00    5.17078e-06


DD  step 240989999 load imb.: force 16.7%  pme mesh/force 0.745
           Step           Time
      240990000   481980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15748e+03    1.98725e+04    1.31026e+04    1.17702e+03   -3.05044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76244e+03    9.28394e+04    4.00111e+05   -2.33637e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64249e+04   -2.44574e+06    4.80874e+05   -1.96486e+06    2.57132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11759e+02   -2.06888e+02    1.13957e+01    5.05737e-06


DD  step 240994999 load imb.: force 17.1%  pme mesh/force 0.740
           Step           Time
      240995000   481990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16781e+03    1.92077e+04    1.30976e+04    1.13777e+03   -3.04755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81876e+03    9.26793e+04    4.00890e+05   -2.33648e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64875e+04   -2.44749e+06    4.79641e+05   -1.96785e+06    2.57137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.06908e+02   -1.00113e+01    5.11794e-06


DD  step 240999999 load imb.: force 15.0%  pme mesh/force 0.729
           Step           Time
      241000000   482000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06706e+03    1.96918e+04    1.30176e+04    1.26027e+03   -3.00981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87058e+03    9.23478e+04    4.01487e+05   -2.34227e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65678e+04   -2.44701e+06    4.79686e+05   -1.96733e+06    2.57144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10989e+02   -2.07933e+02    4.85346e+01    5.01117e-06


DD  step 241004999 load imb.: force 16.5%  pme mesh/force 0.719
           Step           Time
      241005000   482010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10999e+03    1.94554e+04    1.30715e+04    1.15689e+03   -2.95637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76323e+03    9.22902e+04    4.03806e+05   -2.33704e+04   -2.98376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65257e+04   -2.45091e+06    4.80374e+05   -1.97053e+06    2.57149e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.07007e+02    7.16858e+00    4.98188e-06


DD  step 241009999 load imb.: force 14.9%  pme mesh/force 0.714
           Step           Time
      241010000   482020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14851e+03    1.92996e+04    1.31647e+04    1.28101e+03   -2.98234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77257e+03    9.27359e+04    4.03621e+05   -2.33862e+04   -2.98200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63919e+04   -2.44895e+06    4.80554e+05   -1.96840e+06    2.57155e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11552e+02   -2.07286e+02    4.01441e+01    5.02257e-06


DD  step 241014999 load imb.: force 17.4%  pme mesh/force 0.704
           Step           Time
      241015000   482030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05073e+03    1.94652e+04    1.30702e+04    1.15531e+03   -2.95351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82005e+03    9.29279e+04    4.01753e+05   -2.34349e+04   -2.97983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62180e+04   -2.44876e+06    4.78321e+05   -1.97044e+06    2.57161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10104e+02   -2.08149e+02    3.73237e+01    5.33884e-06


DD  step 241019999 load imb.: force 17.5%  pme mesh/force 0.732
           Step           Time
      241020000   482040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92759e+03    1.95730e+04    1.30818e+04    1.17531e+03   -3.03973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85076e+03    9.26611e+04    4.00569e+05   -2.33735e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65979e+04   -2.44721e+06    4.79528e+05   -1.96768e+06    2.57166e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.07061e+02   -2.38551e+01    5.30773e-06


DD  step 241024999 load imb.: force 16.3%  pme mesh/force 0.717
           Step           Time
      241025000   482050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87459e+03    1.91835e+04    1.31326e+04    1.18804e+03   -3.03452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87925e+03    9.27656e+04    4.00469e+05   -2.33984e+04   -2.97934e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63228e+04   -2.44996e+06    4.78072e+05   -1.97189e+06    2.57172e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09942e+02   -2.07502e+02   -1.43914e+01    5.26730e-06


DD  step 241029999 load imb.: force 17.9%  pme mesh/force 0.713
           Step           Time
      241030000   482060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07166e+03    1.91115e+04    1.30354e+04    1.15641e+03   -3.00324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88744e+03    9.27192e+04    3.98060e+05   -2.34200e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63801e+04   -2.44951e+06    4.77917e+05   -1.97159e+06    2.57178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09842e+02   -2.07886e+02   -7.81919e+01    5.24142e-06


DD  step 241034999 load imb.: force 16.0%  pme mesh/force 0.711
           Step           Time
      241035000   482070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92312e+03    1.91711e+04    1.32079e+04    1.11586e+03   -2.97084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83186e+03    9.29617e+04    4.01131e+05   -2.33992e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65409e+04   -2.44788e+06    4.81281e+05   -1.96659e+06    2.57183e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12023e+02   -2.07517e+02    2.81261e+01    5.16130e-06


DD  step 241039999 load imb.: force 16.4%  pme mesh/force 0.739
           Step           Time
      241040000   482080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95533e+03    1.93398e+04    1.33929e+04    1.16944e+03   -3.11359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75745e+03    9.23360e+04    4.01380e+05   -2.33833e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63110e+04   -2.44737e+06    4.78844e+05   -1.96853e+06    2.57190e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10443e+02   -2.07236e+02   -2.12364e+01    5.29716e-06


DD  step 241044999 load imb.: force 16.2%  pme mesh/force 0.741
           Step           Time
      241045000   482090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12554e+03    1.91485e+04    1.30881e+04    1.16635e+03   -3.10155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86871e+03    9.30059e+04    3.98588e+05   -2.33797e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64615e+04   -2.44732e+06    4.76860e+05   -1.97046e+06    2.57196e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09157e+02   -2.07171e+02   -7.21027e+01    5.17715e-06


DD  step 241049999 load imb.: force 17.4%  pme mesh/force 0.750
           Step           Time
      241050000   482100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93433e+03    1.93466e+04    1.31432e+04    1.21994e+03   -3.08934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81033e+03    9.33801e+04    4.03466e+05   -2.34144e+04   -2.98385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63029e+04   -2.45075e+06    4.81524e+05   -1.96923e+06    2.57201e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12181e+02   -2.07786e+02    7.08731e+01    5.21536e-06


DD  step 241054999 load imb.: force 15.4%  pme mesh/force 0.699
           Step           Time
      241055000   482110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80131e+03    1.95721e+04    1.30235e+04    1.16979e+03   -2.98286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85776e+03    9.29585e+04    4.00290e+05   -2.34005e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65738e+04   -2.44542e+06    4.79424e+05   -1.96600e+06    2.57207e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10819e+02   -2.07540e+02    3.67738e+01    5.34828e-06


DD  step 241059999 load imb.: force 16.5%  pme mesh/force 0.698
           Step           Time
      241060000   482120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89962e+03    1.96592e+04    1.29457e+04    1.20696e+03   -2.89036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95101e+03    9.30823e+04    4.00224e+05   -2.33870e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66899e+04   -2.44690e+06    4.80529e+05   -1.96637e+06    2.57213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.07301e+02    3.18491e+01    5.05380e-06


DD  step 241064999 load imb.: force 15.9%  pme mesh/force 0.712
           Step           Time
      241065000   482130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04174e+03    1.98197e+04    1.28637e+04    1.17425e+03   -3.02483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80221e+03    9.22178e+04    4.03290e+05   -2.33751e+04   -2.98128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64619e+04   -2.44901e+06    4.79902e+05   -1.96911e+06    2.57218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11129e+02   -2.07090e+02    7.42153e+01    5.13771e-06


DD  step 241069999 load imb.: force 17.2%  pme mesh/force 0.702
           Step           Time
      241070000   482140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02516e+03    1.95328e+04    1.30629e+04    1.14815e+03   -3.06917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85140e+03    9.28723e+04    4.00083e+05   -2.34253e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65491e+04   -2.44846e+06    4.81590e+05   -1.96687e+06    2.57224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12224e+02   -2.07979e+02    1.29505e+01    5.17878e-06


DD  step 241074999 load imb.: force 17.8%  pme mesh/force 0.745
           Step           Time
      241075000   482150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91598e+03    1.97336e+04    1.31006e+04    1.22587e+03   -3.03149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91339e+03    9.27212e+04    3.99014e+05   -2.33778e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64611e+04   -2.44622e+06    4.80868e+05   -1.96535e+06    2.57230e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11756e+02   -2.07138e+02   -4.27370e+01    5.26491e-06

Writing checkpoint, step 241077950 at Wed Nov  8 11:16:28 2023



DD  step 241079999 load imb.: force 18.3%  pme mesh/force 0.782
           Step           Time
      241080000   482160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90566e+03    1.93292e+04    1.31394e+04    1.22147e+03   -2.95968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78913e+03    9.32861e+04    4.03960e+05   -2.34092e+04   -2.98231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63524e+04   -2.44870e+06    4.79049e+05   -1.96965e+06    2.57236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10576e+02   -2.07694e+02    1.42774e+02    5.15995e-06


DD  step 241084999 load imb.: force 17.9%  pme mesh/force 0.771
           Step           Time
      241085000   482170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15558e+03    1.92808e+04    1.32175e+04    1.26079e+03   -3.19678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75282e+03    9.30103e+04    4.01712e+05   -2.34008e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65552e+04   -2.44753e+06    4.80402e+05   -1.96713e+06    2.57242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.07545e+02    6.33977e+01    5.33944e-06


DD  step 241089999 load imb.: force 18.4%  pme mesh/force 0.711
           Step           Time
      241090000   482180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94391e+03    1.98242e+04    1.31624e+04    1.24588e+03   -3.07158e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74913e+03    9.35022e+04    4.02611e+05   -2.34048e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66281e+04   -2.44517e+06    4.80430e+05   -1.96474e+06    2.57248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11471e+02   -2.07617e+02    4.50418e+01    5.33855e-06


DD  step 241094999 load imb.: force 17.8%  pme mesh/force 0.748
           Step           Time
      241095000   482190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95519e+03    1.94936e+04    1.30746e+04    1.15033e+03   -3.04634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79488e+03    9.32639e+04    3.99309e+05   -2.33250e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68481e+04   -2.44902e+06    4.80187e+05   -1.96883e+06    2.57253e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.06204e+02   -1.01429e+02    5.25127e-06


DD  step 241099999 load imb.: force 17.8%  pme mesh/force 0.742
           Step           Time
      241100000   482200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26119e+03    1.92191e+04    1.31314e+04    1.21273e+03   -3.05375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01669e+03    9.30523e+04    4.02008e+05   -2.34208e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64906e+04   -2.44798e+06    4.80173e+05   -1.96781e+06    2.57260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.07900e+02    7.31684e+01    5.24007e-06


DD  step 241104999 load imb.: force 18.0%  pme mesh/force 0.734
           Step           Time
      241105000   482210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92310e+03    1.96155e+04    1.30348e+04    1.14733e+03   -3.06908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76355e+03    9.30563e+04    4.00930e+05   -2.33308e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65716e+04   -2.44674e+06    4.77763e+05   -1.96898e+06    2.57265e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09742e+02   -2.06306e+02   -2.65369e+01    5.22432e-06


DD  step 241109999 load imb.: force 15.7%  pme mesh/force 0.704
           Step           Time
      241110000   482220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01917e+03    1.94240e+04    1.33200e+04    1.27126e+03   -3.03419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93782e+03    9.28761e+04    4.02244e+05   -2.33840e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65912e+04   -2.44612e+06    4.78941e+05   -1.96718e+06    2.57271e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10506e+02   -2.07247e+02    7.42140e+01    5.16013e-06


DD  step 241114999 load imb.: force 16.2%  pme mesh/force 0.756
           Step           Time
      241115000   482230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97408e+03    1.91012e+04    1.30563e+04    1.16383e+03   -3.00522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83657e+03    9.31572e+04    4.05537e+05   -2.34351e+04   -2.98585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64221e+04   -2.45105e+06    4.81904e+05   -1.96914e+06    2.57277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12427e+02   -2.08154e+02    1.62774e+02    5.24181e-06


DD  step 241119999 load imb.: force 19.5%  pme mesh/force 0.759
           Step           Time
      241120000   482240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98787e+03    1.95436e+04    1.31297e+04    1.14651e+03   -2.98703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71779e+03    9.25709e+04    4.04304e+05   -2.33717e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65742e+04   -2.44453e+06    4.79203e+05   -1.96533e+06    2.57283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10676e+02   -2.07030e+02    1.28353e+02    5.29006e-06


DD  step 241124999 load imb.: force 18.2%  pme mesh/force 0.759
           Step           Time
      241125000   482250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98837e+03    1.94150e+04    1.29707e+04    1.15299e+03   -3.04003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69707e+03    9.27567e+04    4.01340e+05   -2.34158e+04   -2.97966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64393e+04   -2.44935e+06    4.78956e+05   -1.97040e+06    2.57289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.07811e+02    1.46678e+01    5.14717e-06


DD  step 241129999 load imb.: force 16.7%  pme mesh/force 0.740
           Step           Time
      241130000   482260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94954e+03    1.93918e+04    1.30984e+04    1.24734e+03   -2.94857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84754e+03    9.31617e+04    4.01494e+05   -2.33778e+04   -2.97706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62848e+04   -2.44591e+06    4.79829e+05   -1.96608e+06    2.57294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11082e+02   -2.07137e+02    4.28958e+01    5.32306e-06


DD  step 241134999 load imb.: force 17.3%  pme mesh/force 0.730
           Step           Time
      241135000   482270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03875e+03    1.95300e+04    1.27982e+04    1.17599e+03   -3.11129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71837e+03    9.29202e+04    4.02183e+05   -2.34214e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64328e+04   -2.44712e+06    4.80387e+05   -1.96674e+06    2.57301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11443e+02   -2.07911e+02    2.53946e+01    5.25747e-06


DD  step 241139999 load imb.: force 17.4%  pme mesh/force 0.736
           Step           Time
      241140000   482280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10216e+03    1.97591e+04    1.30579e+04    1.17536e+03   -3.04727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76901e+03    9.25903e+04    4.03140e+05   -2.34403e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63734e+04   -2.44697e+06    4.78085e+05   -1.96889e+06    2.57306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09951e+02   -2.08246e+02    1.16941e+02    5.28197e-06


DD  step 241144999 load imb.: force 16.1%  pme mesh/force 0.739
           Step           Time
      241145000   482290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03537e+03    1.92897e+04    1.30373e+04    1.18407e+03   -3.02586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78381e+03    9.30056e+04    4.01525e+05   -2.33836e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65266e+04   -2.44912e+06    4.81193e+05   -1.96792e+06    2.57312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11966e+02   -2.07240e+02   -5.81335e+00    5.21707e-06


DD  step 241149999 load imb.: force 17.4%  pme mesh/force 0.732
           Step           Time
      241150000   482300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08651e+03    1.92491e+04    1.30104e+04    1.19350e+03   -2.92645e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83236e+03    9.30097e+04    3.99038e+05   -2.33702e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65200e+04   -2.44575e+06    4.79658e+05   -1.96609e+06    2.57318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.07004e+02   -5.94371e+01    5.26606e-06


DD  step 241154999 load imb.: force 22.1%  pme mesh/force 0.771
           Step           Time
      241155000   482310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78832e+03    1.96425e+04    1.30824e+04    1.16234e+03   -3.02433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86128e+03    9.28825e+04    4.02095e+05   -2.33383e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65259e+04   -2.44638e+06    4.78331e+05   -1.96804e+06    2.57324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10110e+02   -2.06439e+02    5.28683e+01    5.28273e-06


DD  step 241159999 load imb.: force 16.2%  pme mesh/force 0.711
           Step           Time
      241160000   482320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96128e+03    1.94747e+04    1.28223e+04    1.14299e+03   -2.91559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91257e+03    9.27661e+04    4.02942e+05   -2.34557e+04   -2.98071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64391e+04   -2.44862e+06    4.80236e+05   -1.96838e+06    2.57330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11346e+02   -2.08519e+02    9.67806e+01    5.22139e-06


DD  step 241164999 load imb.: force 17.1%  pme mesh/force 0.739
           Step           Time
      241165000   482330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02210e+03    1.91861e+04    1.29966e+04    1.12797e+03   -2.97857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73938e+03    9.29372e+04    3.97006e+05   -2.33354e+04   -2.97318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63727e+04   -2.44710e+06    4.79602e+05   -1.96750e+06    2.57335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.06388e+02   -1.22659e+02    5.37482e-06


DD  step 241169999 load imb.: force 16.9%  pme mesh/force 0.723
           Step           Time
      241170000   482340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87091e+03    1.94365e+04    1.29742e+04    1.15928e+03   -3.01976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85756e+03    9.27419e+04    4.02902e+05   -2.33914e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65456e+04   -2.44741e+06    4.81443e+05   -1.96596e+06    2.57341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12128e+02   -2.07379e+02    7.60000e+01    5.49052e-06


DD  step 241174999 load imb.: force 18.3%  pme mesh/force 0.696
           Step           Time
      241175000   482350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95336e+03    1.97029e+04    1.30351e+04    1.22300e+03   -2.95508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76970e+03    9.26544e+04    3.98117e+05   -2.33864e+04   -2.97273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66748e+04   -2.44494e+06    4.80109e+05   -1.96483e+06    2.57347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11263e+02   -2.07290e+02   -5.72974e+01    5.35522e-06


DD  step 241179999 load imb.: force 17.7%  pme mesh/force 0.734
           Step           Time
      241180000   482360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04426e+03    1.95803e+04    1.29626e+04    1.15056e+03   -2.94774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75081e+03    9.30545e+04    4.02422e+05   -2.33342e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66145e+04   -2.44613e+06    4.78891e+05   -1.96724e+06    2.57353e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10474e+02   -2.06366e+02    3.56377e+01    5.32327e-06


DD  step 241184999 load imb.: force 18.8%  pme mesh/force 0.746
           Step           Time
      241185000   482370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25068e+03    1.91233e+04    1.30225e+04    1.22817e+03   -3.05649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84377e+03    9.28831e+04    3.98372e+05   -2.33063e+04   -2.97081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64756e+04   -2.44297e+06    4.79227e+05   -1.96375e+06    2.57358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10691e+02   -2.05875e+02   -5.66407e+01    5.28012e-06


DD  step 241189999 load imb.: force 17.0%  pme mesh/force 0.694
           Step           Time
      241190000   482380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70115e+03    2.01215e+04    1.31747e+04    1.19584e+03   -3.01843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81037e+03    9.24592e+04    3.99874e+05   -2.33549e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63820e+04   -2.44692e+06    4.80606e+05   -1.96631e+06    2.57365e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11585e+02   -2.06732e+02    1.22430e+00    5.21064e-06


DD  step 241194999 load imb.: force 16.2%  pme mesh/force 0.746
           Step           Time
      241195000   482390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99276e+03    1.93303e+04    1.29691e+04    1.15762e+03   -3.01302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89702e+03    9.30634e+04    3.98675e+05   -2.33636e+04   -2.97580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64920e+04   -2.44760e+06    4.78052e+05   -1.96955e+06    2.57370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09929e+02   -2.06888e+02   -6.80079e+01    5.31894e-06


DD  step 241199999 load imb.: force 17.2%  pme mesh/force 0.742
           Step           Time
      241200000   482400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75198e+03    1.92959e+04    1.32183e+04    1.16784e+03   -2.96874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86176e+03    9.31144e+04    4.02577e+05   -2.34248e+04   -2.98459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62321e+04   -2.45276e+06    4.79265e+05   -1.97350e+06    2.57376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10716e+02   -2.07971e+02    1.04328e+02    5.32954e-06


DD  step 241204999 load imb.: force 18.2%  pme mesh/force 0.746
           Step           Time
      241205000   482410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04408e+03    1.89584e+04    1.30704e+04    1.20522e+03   -3.05923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99823e+03    9.27338e+04    4.01397e+05   -2.34057e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62855e+04   -2.45059e+06    4.78760e+05   -1.97183e+06    2.57382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10388e+02   -2.07632e+02    9.85588e+00    5.16967e-06


DD  step 241209999 load imb.: force 17.1%  pme mesh/force 0.745
           Step           Time
      241210000   482420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16604e+03    1.93767e+04    1.29547e+04    1.15466e+03   -2.86857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88244e+03    9.30386e+04    4.01754e+05   -2.33488e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64812e+04   -2.44676e+06    4.79281e+05   -1.96748e+06    2.57387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.06625e+02   -1.69131e+01    5.20717e-06


DD  step 241214999 load imb.: force 17.2%  pme mesh/force 0.706
           Step           Time
      241215000   482430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16015e+03    1.98184e+04    1.30529e+04    1.15545e+03   -2.97361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75459e+03    9.29928e+04    3.98354e+05   -2.34492e+04   -2.97329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66819e+04   -2.44475e+06    4.80402e+05   -1.96434e+06    2.57394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.08404e+02   -2.09931e+01    5.17071e-06


DD  step 241219999 load imb.: force 18.0%  pme mesh/force 0.723
           Step           Time
      241220000   482440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03840e+03    1.96138e+04    1.30826e+04    1.28297e+03   -2.97944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92672e+03    9.30670e+04    3.99002e+05   -2.33740e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63963e+04   -2.44726e+06    4.80124e+05   -1.96713e+06    2.57399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11273e+02   -2.07071e+02   -4.49988e+01    5.18496e-06


DD  step 241224999 load imb.: force 17.9%  pme mesh/force 0.744
           Step           Time
      241225000   482450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11114e+03    1.94204e+04    1.32575e+04    1.15141e+03   -3.02456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80837e+03    9.28010e+04    4.01801e+05   -2.33842e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66251e+04   -2.44755e+06    4.77206e+05   -1.97035e+06    2.57405e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09381e+02   -2.07251e+02    9.32140e+00    5.10124e-06


DD  step 241229999 load imb.: force 19.1%  pme mesh/force 0.740
           Step           Time
      241230000   482460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89763e+03    1.95220e+04    1.29751e+04    1.17986e+03   -2.99744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84935e+03    9.28387e+04    3.98540e+05   -2.33735e+04   -2.97231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65760e+04   -2.44430e+06    4.80554e+05   -1.96374e+06    2.57410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11552e+02   -2.07062e+02    1.64848e+01    5.28868e-06


DD  step 241234999 load imb.: force 19.8%  pme mesh/force 0.756
           Step           Time
      241235000   482470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07980e+03    1.94066e+04    1.31394e+04    1.27000e+03   -3.01679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82067e+03    9.27412e+04    4.01039e+05   -2.34043e+04   -2.98072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64959e+04   -2.45015e+06    4.79139e+05   -1.97101e+06    2.57417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10634e+02   -2.07606e+02    8.62958e+00    5.26673e-06


DD  step 241239999 load imb.: force 18.4%  pme mesh/force 0.779
           Step           Time
      241240000   482480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91260e+03    1.93593e+04    1.31280e+04    1.21752e+03   -2.96847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94776e+03    9.29561e+04    4.03168e+05   -2.34045e+04   -2.98163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63362e+04   -2.44898e+06    4.79149e+05   -1.96983e+06    2.57423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10641e+02   -2.07611e+02    7.11161e+01    5.36503e-06


DD  step 241244999 load imb.: force 19.2%  pme mesh/force 0.724
           Step           Time
      241245000   482490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99188e+03    1.95087e+04    1.32073e+04    1.16453e+03   -3.05285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98015e+03    9.27576e+04    3.98626e+05   -2.34127e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64809e+04   -2.44726e+06    4.80401e+05   -1.96686e+06    2.57428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.07756e+02   -6.66869e+00    5.20825e-06


DD  step 241249999 load imb.: force 19.0%  pme mesh/force 0.728
           Step           Time
      241250000   482500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22672e+03    1.93702e+04    1.30292e+04    1.15171e+03   -2.85861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68784e+03    9.29299e+04    3.99995e+05   -2.33550e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64986e+04   -2.44870e+06    4.78956e+05   -1.96975e+06    2.57434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.06735e+02   -7.74714e+01    5.14631e-06


DD  step 241254999 load imb.: force 17.4%  pme mesh/force 0.733
           Step           Time
      241255000   482510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84949e+03    1.97023e+04    1.31933e+04    1.17372e+03   -2.92914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73947e+03    9.30901e+04    3.98167e+05   -2.33906e+04   -2.97331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64240e+04   -2.44529e+06    4.80531e+05   -1.96476e+06    2.57440e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11537e+02   -2.07364e+02   -6.46102e+01    5.04958e-06


DD  step 241259999 load imb.: force 16.5%  pme mesh/force 0.719
           Step           Time
      241260000   482520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97125e+03    1.94246e+04    1.30245e+04    1.18041e+03   -2.93769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80846e+03    9.35279e+04    3.99967e+05   -2.33757e+04   -2.97647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65446e+04   -2.44633e+06    4.79274e+05   -1.96706e+06    2.57446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10722e+02   -2.07100e+02    6.43011e+00    5.13278e-06


DD  step 241264999 load imb.: force 15.3%  pme mesh/force 0.711
           Step           Time
      241265000   482530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91918e+03    1.93445e+04    1.30317e+04    1.21342e+03   -2.90474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94090e+03    9.29591e+04    4.01047e+05   -2.33621e+04   -2.97618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63572e+04   -2.44563e+06    4.78597e+05   -1.96703e+06    2.57451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10283e+02   -2.06859e+02   -4.63002e+00    5.30749e-06


DD  step 241269999 load imb.: force 16.4%  pme mesh/force 0.714
           Step           Time
      241270000   482540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95100e+03    1.95386e+04    1.31552e+04    1.16919e+03   -2.96845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75242e+03    9.34844e+04    4.01594e+05   -2.33790e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65061e+04   -2.44561e+06    4.78818e+05   -1.96680e+06    2.57457e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10427e+02   -2.07159e+02    3.59736e+01    5.24399e-06


DD  step 241274999 load imb.: force 19.1%  pme mesh/force 0.758
           Step           Time
      241275000   482550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05684e+03    1.92985e+04    1.31905e+04    1.19599e+03   -3.04174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81781e+03    9.31849e+04    4.00531e+05   -2.33698e+04   -2.97732e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64194e+04   -2.44704e+06    4.79161e+05   -1.96788e+06    2.57463e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10649e+02   -2.06996e+02    2.37523e+01    5.40537e-06


DD  step 241279999 load imb.: force 15.8%  pme mesh/force 0.720
           Step           Time
      241280000   482560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10256e+03    1.91005e+04    1.30228e+04    1.18382e+03   -2.97136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84966e+03    9.26973e+04    3.99832e+05   -2.33868e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66426e+04   -2.44677e+06    4.78568e+05   -1.96820e+06    2.57469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10264e+02   -2.07297e+02   -2.36105e+01    5.17786e-06


DD  step 241284999 load imb.: force 17.6%  pme mesh/force 0.741
           Step           Time
      241285000   482570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82985e+03    1.95015e+04    1.29953e+04    1.25575e+03   -3.01638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77420e+03    9.31194e+04    4.00300e+05   -2.33670e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67566e+04   -2.44792e+06    4.77668e+05   -1.97025e+06    2.57475e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09681e+02   -2.06946e+02    1.55319e+00    5.11296e-06


DD  step 241289999 load imb.: force 17.5%  pme mesh/force 0.749
           Step           Time
      241290000   482580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96642e+03    1.94229e+04    1.29365e+04    1.18848e+03   -2.96866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75978e+03    9.30926e+04    4.02645e+05   -2.33968e+04   -2.98017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65230e+04   -2.44800e+06    4.77531e+05   -1.97046e+06    2.57480e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09592e+02   -2.07475e+02    6.92550e+01    5.22259e-06


DD  step 241294999 load imb.: force 19.1%  pme mesh/force 0.765
           Step           Time
      241295000   482590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90202e+03    1.90359e+04    1.31201e+04    1.20146e+03   -2.90109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94523e+03    9.30565e+04    4.03387e+05   -2.34515e+04   -2.98135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64658e+04   -2.44859e+06    4.79534e+05   -1.96906e+06    2.57486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10890e+02   -2.08445e+02    1.27886e+02    5.24040e-06


DD  step 241299999 load imb.: force 15.1%  pme mesh/force 0.750
           Step           Time
      241300000   482600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00970e+03    1.95367e+04    1.29946e+04    1.15082e+03   -2.96010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83477e+03    9.30396e+04    3.97882e+05   -2.33908e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65025e+04   -2.44777e+06    4.79463e+05   -1.96831e+06    2.57492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10844e+02   -2.07369e+02   -6.56259e+01    5.35013e-06


DD  step 241304999 load imb.: force 17.1%  pme mesh/force 0.759
           Step           Time
      241305000   482610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98356e+03    1.93177e+04    1.31283e+04    1.17101e+03   -2.89803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88313e+03    9.25122e+04    3.99927e+05   -2.33759e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64735e+04   -2.44776e+06    4.79691e+05   -1.96807e+06    2.57498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.07105e+02   -3.82853e+01    5.29163e-06


DD  step 241309999 load imb.: force 15.7%  pme mesh/force 0.727
           Step           Time
      241310000   482620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03436e+03    1.95856e+04    1.29876e+04    1.17718e+03   -2.94196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90142e+03    9.26345e+04    3.97861e+05   -2.34235e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63130e+04   -2.44713e+06    4.78493e+05   -1.96864e+06    2.57503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10215e+02   -2.07947e+02   -4.10188e+01    5.24136e-06


DD  step 241314999 load imb.: force 17.1%  pme mesh/force 0.742
           Step           Time
      241315000   482630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27715e+03    1.94964e+04    1.30801e+04    1.15199e+03   -3.05266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81593e+03    9.33910e+04    3.98775e+05   -2.33513e+04   -2.97072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65394e+04   -2.44160e+06    4.80665e+05   -1.96094e+06    2.57510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11624e+02   -2.06669e+02   -1.53093e+01    5.28320e-06


DD  step 241319999 load imb.: force 18.6%  pme mesh/force 0.747
           Step           Time
      241320000   482640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86196e+03    1.95046e+04    1.29845e+04    1.15057e+03   -2.88325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88527e+03    9.26950e+04    4.00999e+05   -2.33967e+04   -2.97958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63204e+04   -2.44946e+06    4.79543e+05   -1.96992e+06    2.57515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10896e+02   -2.07472e+02    6.27776e+00    5.09554e-06


DD  step 241324999 load imb.: force 15.3%  pme mesh/force 0.728
           Step           Time
      241325000   482650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90216e+03    1.94302e+04    1.31449e+04    1.29579e+03   -3.01384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86879e+03    9.27538e+04    4.00423e+05   -2.33988e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66618e+04   -2.44807e+06    4.80920e+05   -1.96715e+06    2.57521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11789e+02   -2.07511e+02    1.34915e+01    5.12463e-06


DD  step 241329999 load imb.: force 17.1%  pme mesh/force 0.756
           Step           Time
      241330000   482660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10132e+03    1.90602e+04    1.30832e+04    1.15652e+03   -2.92262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85217e+03    9.28755e+04    4.01748e+05   -2.34001e+04   -2.98079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62633e+04   -2.44997e+06    4.77612e+05   -1.97236e+06    2.57527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09644e+02   -2.07534e+02   -5.80788e+00    5.20769e-06


DD  step 241334999 load imb.: force 17.8%  pme mesh/force 0.701
           Step           Time
      241335000   482670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91132e+03    1.94491e+04    1.30906e+04    1.20283e+03   -2.98762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78752e+03    9.29436e+04    4.00047e+05   -2.33500e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67180e+04   -2.44723e+06    4.80755e+05   -1.96647e+06    2.57532e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11682e+02   -2.06647e+02   -6.89129e+01    5.26783e-06


DD  step 241339999 load imb.: force 16.8%  pme mesh/force 0.746
           Step           Time
      241340000   482680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93112e+03    1.93640e+04    1.29450e+04    1.22134e+03   -2.91875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91784e+03    9.29629e+04    3.99472e+05   -2.33457e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65704e+04   -2.44514e+06    4.79341e+05   -1.96580e+06    2.57539e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10766e+02   -2.06571e+02    4.98023e+01    5.35693e-06


DD  step 241344999 load imb.: force 15.8%  pme mesh/force 0.703
           Step           Time
      241345000   482690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02402e+03    1.92924e+04    1.31149e+04    1.12333e+03   -2.96744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78271e+03    9.27844e+04    4.01016e+05   -2.34117e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63500e+04   -2.44890e+06    4.79958e+05   -1.96894e+06    2.57544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11165e+02   -2.07738e+02   -1.76437e+00    5.10859e-06


DD  step 241349999 load imb.: force 17.7%  pme mesh/force 0.720
           Step           Time
      241350000   482700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03928e+03    1.89209e+04    1.31051e+04    1.22964e+03   -2.96855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79613e+03    9.27846e+04    4.02605e+05   -2.34333e+04   -2.98280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65207e+04   -2.45120e+06    4.78997e+05   -1.97220e+06    2.57550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10542e+02   -2.08121e+02    4.95297e+01    5.18542e-06


DD  step 241354999 load imb.: force 17.3%  pme mesh/force 0.746
           Step           Time
      241355000   482710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98264e+03    1.93140e+04    1.30072e+04    1.18065e+03   -3.06733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91398e+03    9.30075e+04    4.00806e+05   -2.33902e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67789e+04   -2.44503e+06    4.77974e+05   -1.96706e+06    2.57556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09879e+02   -2.07358e+02    4.14245e+01    5.35657e-06


DD  step 241359999 load imb.: force 15.3%  pme mesh/force 0.713
           Step           Time
      241360000   482720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09567e+03    1.97960e+04    1.29829e+04    1.21108e+03   -3.00279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86314e+03    9.22605e+04    4.02720e+05   -2.33978e+04   -2.98003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64556e+04   -2.44805e+06    4.81556e+05   -1.96649e+06    2.57562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12201e+02   -2.07492e+02    7.90264e+01    5.17480e-06


DD  step 241364999 load imb.: force 20.3%  pme mesh/force 0.757
           Step           Time
      241365000   482730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20427e+03    1.93653e+04    1.31127e+04    1.20973e+03   -3.00272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73679e+03    9.31135e+04    4.01461e+05   -2.33498e+04   -2.97876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66945e+04   -2.44722e+06    4.78920e+05   -1.96830e+06    2.57567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10492e+02   -2.06643e+02   -1.28643e+01    5.27257e-06


DD  step 241369999 load imb.: force 19.1%  pme mesh/force 0.726
           Step           Time
      241370000   482740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05639e+03    1.91771e+04    1.29558e+04    1.13743e+03   -2.86690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88367e+03    9.29223e+04    4.00925e+05   -2.34073e+04   -2.97951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63799e+04   -2.44935e+06    4.78724e+05   -1.97063e+06    2.57573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10365e+02   -2.07660e+02    5.12817e+01    5.12589e-06


DD  step 241374999 load imb.: force 17.6%  pme mesh/force 0.701
           Step           Time
      241375000   482750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04015e+03    1.95394e+04    1.31267e+04    1.20157e+03   -3.05628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83759e+03    9.24938e+04    4.01706e+05   -2.33760e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65088e+04   -2.44531e+06    4.79231e+05   -1.96608e+06    2.57579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10694e+02   -2.07106e+02    5.99872e+01    5.14139e-06


DD  step 241379999 load imb.: force 18.6%  pme mesh/force 0.732
           Step           Time
      241380000   482760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07627e+03    1.93333e+04    1.30106e+04    1.08316e+03   -3.00538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75754e+03    9.25960e+04    4.02080e+05   -2.33794e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65478e+04   -2.44833e+06    4.80366e+05   -1.96796e+06    2.57584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11430e+02   -2.07166e+02    9.17424e+00    5.15050e-06


DD  step 241384999 load imb.: force 16.9%  pme mesh/force 0.715
           Step           Time
      241385000   482770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83420e+03    1.96524e+04    1.29469e+04    1.12297e+03   -3.04820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78924e+03    9.31081e+04    3.98947e+05   -2.33546e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63234e+04   -2.44650e+06    4.80592e+05   -1.96591e+06    2.57590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.06727e+02   -4.64933e+01    5.23463e-06


DD  step 241389999 load imb.: force 16.3%  pme mesh/force 0.769
           Step           Time
      241390000   482780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96538e+03    1.94477e+04    1.33281e+04    1.22839e+03   -3.16316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81455e+03    9.33601e+04    3.98287e+05   -2.33891e+04   -2.97401e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64507e+04   -2.44568e+06    4.78617e+05   -1.96707e+06    2.57596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10296e+02   -2.07338e+02   -6.97956e+01    5.20137e-06


DD  step 241394999 load imb.: force 17.7%  pme mesh/force 0.753
           Step           Time
      241395000   482790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02663e+03    1.96792e+04    1.30446e+04    1.13692e+03   -3.07327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76629e+03    9.28782e+04    4.00416e+05   -2.33647e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63987e+04   -2.44941e+06    4.79337e+05   -1.97007e+06    2.57602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10763e+02   -2.06906e+02   -1.03335e+01    5.04950e-06


DD  step 241399999 load imb.: force 15.4%  pme mesh/force 0.717
           Step           Time
      241400000   482800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95935e+03    1.95168e+04    1.31907e+04    1.17061e+03   -3.12577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70984e+03    9.30592e+04    3.98110e+05   -2.33974e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64945e+04   -2.44782e+06    4.78347e+05   -1.96947e+06    2.57607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10121e+02   -2.07486e+02   -6.24607e+01    5.13630e-06


DD  step 241404999 load imb.: force 16.9%  pme mesh/force 0.743
           Step           Time
      241405000   482810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26938e+03    1.92176e+04    1.31035e+04    1.20891e+03   -3.07689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71075e+03    9.30999e+04    4.02809e+05   -2.33951e+04   -2.97921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63485e+04   -2.44692e+06    4.78102e+05   -1.96881e+06    2.57613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.07444e+02    2.01390e+01    5.08851e-06

Writing checkpoint, step 241405750 at Wed Nov  8 11:31:28 2023



DD  step 241409999 load imb.: force 18.0%  pme mesh/force 0.721
           Step           Time
      241410000   482820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95739e+03    1.90800e+04    1.29841e+04    1.17508e+03   -3.04089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83826e+03    9.32038e+04    4.01565e+05   -2.33871e+04   -2.98203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65242e+04   -2.45113e+06    4.79850e+05   -1.97128e+06    2.57619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11096e+02   -2.07303e+02   -1.54427e+01    5.08941e-06


DD  step 241414999 load imb.: force 18.4%  pme mesh/force 0.749
           Step           Time
      241415000   482830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24659e+03    1.95150e+04    1.31243e+04    1.18878e+03   -3.12609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81252e+03    9.26238e+04    3.99385e+05   -2.33334e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62827e+04   -2.44769e+06    4.80167e+05   -1.96752e+06    2.57625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11301e+02   -2.06353e+02   -6.90280e+01    5.27170e-06


DD  step 241419999 load imb.: force 16.2%  pme mesh/force 0.713
           Step           Time
      241420000   482840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96064e+03    1.92099e+04    1.31586e+04    1.20227e+03   -3.08172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78758e+03    9.33612e+04    4.02536e+05   -2.33422e+04   -2.97857e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65776e+04   -2.44620e+06    4.77933e+05   -1.96827e+06    2.57631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09853e+02   -2.06508e+02   -1.50169e+01    5.19506e-06


DD  step 241424999 load imb.: force 19.0%  pme mesh/force 0.749
           Step           Time
      241425000   482850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23140e+03    1.95915e+04    1.31593e+04    1.20836e+03   -3.04955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84474e+03    9.30891e+04    3.98551e+05   -2.33794e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64459e+04   -2.44604e+06    4.80303e+05   -1.96574e+06    2.57636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.07167e+02   -3.14931e+01    5.14932e-06


DD  step 241429999 load imb.: force 14.5%  pme mesh/force 0.692
           Step           Time
      241430000   482860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90228e+03    1.92303e+04    1.31412e+04    1.20195e+03   -2.98451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87572e+03    9.30406e+04    4.00948e+05   -2.34285e+04   -2.98105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64768e+04   -2.45065e+06    4.80741e+05   -1.96991e+06    2.57642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11673e+02   -2.08035e+02    3.03838e+01    5.04649e-06


DD  step 241434999 load imb.: force 16.6%  pme mesh/force 0.729
           Step           Time
      241435000   482870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88011e+03    1.93862e+04    1.28761e+04    1.16043e+03   -2.90312e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84504e+03    9.31828e+04    3.99297e+05   -2.34009e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65457e+04   -2.44807e+06    4.79774e+05   -1.96829e+06    2.57648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11046e+02   -2.07547e+02    1.51475e+01    5.00108e-06


DD  step 241439999 load imb.: force 15.5%  pme mesh/force 0.709
           Step           Time
      241440000   482880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04984e+03    1.93648e+04    1.30431e+04    1.21938e+03   -2.92064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89220e+03    9.31660e+04    4.03624e+05   -2.33822e+04   -2.98069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64932e+04   -2.44714e+06    4.81229e+05   -1.96591e+06    2.57653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11989e+02   -2.07216e+02    4.46278e+01    5.13820e-06


DD  step 241444999 load imb.: force 17.1%  pme mesh/force 0.748
           Step           Time
      241445000   482890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06555e+03    1.92096e+04    1.29096e+04    1.14395e+03   -2.94858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85563e+03    9.29631e+04    3.98760e+05   -2.33688e+04   -2.97539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65707e+04   -2.44723e+06    4.78733e+05   -1.96850e+06    2.57659e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10371e+02   -2.06979e+02   -4.33764e+01    5.26460e-06


DD  step 241449999 load imb.: force 19.9%  pme mesh/force 0.761
           Step           Time
      241450000   482900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85128e+03    1.98662e+04    1.31638e+04    1.29735e+03   -3.11799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95427e+03    9.29531e+04    4.02005e+05   -2.33967e+04   -2.97927e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65525e+04   -2.44714e+06    4.80909e+05   -1.96623e+06    2.57665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11782e+02   -2.07473e+02    7.75520e+01    5.26160e-06


DD  step 241454999 load imb.: force 15.3%  pme mesh/force 0.725
           Step           Time
      241455000   482910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99369e+03    1.96689e+04    1.29301e+04    1.17738e+03   -3.02130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86233e+03    9.32762e+04    4.02248e+05   -2.33793e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63755e+04   -2.44572e+06    4.81733e+05   -1.96399e+06    2.57671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12316e+02   -2.07164e+02    6.64494e+01    5.26672e-06


DD  step 241459999 load imb.: force 17.6%  pme mesh/force 0.767
           Step           Time
      241460000   482920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85677e+03    1.97448e+04    1.30740e+04    1.16413e+03   -3.01394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79862e+03    9.28165e+04    4.04753e+05   -2.33737e+04   -2.98198e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63136e+04   -2.44784e+06    4.81553e+05   -1.96629e+06    2.57677e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12200e+02   -2.07066e+02    1.28594e+02    5.26417e-06


DD  step 241464999 load imb.: force 15.4%  pme mesh/force 0.765
           Step           Time
      241465000   482930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02459e+03    1.94910e+04    1.30658e+04    1.14033e+03   -2.94578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88492e+03    9.34040e+04    4.02053e+05   -2.33646e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65849e+04   -2.44486e+06    4.78896e+05   -1.96596e+06    2.57683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10477e+02   -2.06905e+02    9.28807e+01    5.09858e-06


DD  step 241469999 load imb.: force 17.4%  pme mesh/force 0.774
           Step           Time
      241470000   482940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02619e+03    1.94646e+04    1.30991e+04    1.16772e+03   -3.04721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84671e+03    9.25644e+04    4.01038e+05   -2.33911e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64311e+04   -2.44870e+06    4.81107e+05   -1.96760e+06    2.57688e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11910e+02   -2.07373e+02   -2.67534e+01    5.25397e-06


DD  step 241474999 load imb.: force 16.4%  pme mesh/force 0.745
           Step           Time
      241475000   482950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15337e+03    1.93128e+04    1.31052e+04    1.12519e+03   -3.00199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74075e+03    9.30914e+04    4.00493e+05   -2.34393e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63408e+04   -2.44613e+06    4.79182e+05   -1.96694e+06    2.57694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10662e+02   -2.08229e+02    2.03052e+01    5.14179e-06


DD  step 241479999 load imb.: force 20.3%  pme mesh/force 0.781
           Step           Time
      241480000   482960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00570e+03    1.93788e+04    1.31530e+04    1.11604e+03   -3.00951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86594e+03    9.30389e+04    4.00414e+05   -2.33480e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67655e+04   -2.44517e+06    4.81255e+05   -1.96392e+06    2.57700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12006e+02   -2.06611e+02   -1.24164e+01    5.24253e-06


DD  step 241484999 load imb.: force 17.3%  pme mesh/force 0.732
           Step           Time
      241485000   482970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27321e+03    1.98008e+04    1.30316e+04    1.16526e+03   -3.08605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76037e+03    9.28379e+04    4.01864e+05   -2.33566e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64562e+04   -2.44564e+06    4.80346e+05   -1.96530e+06    2.57706e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11417e+02   -2.06763e+02    2.70898e+01    5.13747e-06


DD  step 241489999 load imb.: force 17.3%  pme mesh/force 0.720
           Step           Time
      241490000   482980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66971e+03    1.91353e+04    1.29306e+04    1.17829e+03   -3.00552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92592e+03    9.34805e+04    4.02458e+05   -2.33891e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63141e+04   -2.44803e+06    4.78656e+05   -1.96937e+06    2.57711e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10321e+02   -2.07337e+02    6.33233e+01    5.10834e-06


DD  step 241494999 load imb.: force 15.7%  pme mesh/force 0.744
           Step           Time
      241495000   482990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98205e+03    1.95562e+04    1.33270e+04    1.21576e+03   -3.02498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91873e+03    9.31967e+04    3.99167e+05   -2.33893e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66548e+04   -2.44390e+06    4.81004e+05   -1.96289e+06    2.57718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11843e+02   -2.07341e+02    4.73624e+01    5.16305e-06


DD  step 241499999 load imb.: force 18.5%  pme mesh/force 0.694
           Step           Time
      241500000   483000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18640e+03    1.89554e+04    1.30274e+04    1.17512e+03   -2.99063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66693e+03    9.27010e+04    4.01706e+05   -2.34351e+04   -2.98111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63610e+04   -2.45076e+06    4.78091e+05   -1.97266e+06    2.57723e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09955e+02   -2.08154e+02    4.71139e+01    5.14243e-06


DD  step 241504999 load imb.: force 18.7%  pme mesh/force 0.738
           Step           Time
      241505000   483010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86625e+03    1.96796e+04    1.29963e+04    1.16695e+03   -2.98598e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88753e+03    9.36619e+04    4.01066e+05   -2.33971e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65325e+04   -2.44648e+06    4.81062e+05   -1.96542e+06    2.57729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11881e+02   -2.07480e+02    6.79363e+01    5.15867e-06


DD  step 241509999 load imb.: force 16.6%  pme mesh/force 0.734
           Step           Time
      241510000   483020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90835e+03    1.95949e+04    1.29079e+04    1.16285e+03   -2.94565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69074e+03    9.29015e+04    4.00181e+05   -2.33726e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63998e+04   -2.44786e+06    4.79528e+05   -1.96833e+06    2.57735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.07046e+02   -6.87920e+01    5.18165e-06


DD  step 241514999 load imb.: force 17.8%  pme mesh/force 0.749
           Step           Time
      241515000   483030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10403e+03    1.97063e+04    1.31066e+04    1.20101e+03   -3.09514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66055e+03    9.34504e+04    4.02280e+05   -2.34106e+04   -2.97727e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64591e+04   -2.44481e+06    4.79784e+05   -1.96502e+06    2.57741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.07719e+02    8.57542e+01    5.11193e-06


DD  step 241519999 load imb.: force 20.3%  pme mesh/force 0.783
           Step           Time
      241520000   483040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87729e+03    1.94686e+04    1.30434e+04    1.22823e+03   -2.99306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88013e+03    9.33407e+04    4.01162e+05   -2.33704e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64526e+04   -2.44647e+06    4.81053e+05   -1.96541e+06    2.57747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11875e+02   -2.07007e+02    9.19159e+01    5.10549e-06


DD  step 241524999 load imb.: force 18.2%  pme mesh/force 0.721
           Step           Time
      241525000   483050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81976e+03    1.98123e+04    1.30642e+04    1.08974e+03   -2.94147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77054e+03    9.30107e+04    4.00005e+05   -2.34409e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63974e+04   -2.44913e+06    4.80492e+05   -1.96863e+06    2.57752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11511e+02   -2.08257e+02    1.74179e+01    4.99697e-06


DD  step 241529999 load imb.: force 16.7%  pme mesh/force 0.715
           Step           Time
      241530000   483060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86519e+03    1.93224e+04    1.32038e+04    1.24674e+03   -2.96049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96532e+03    9.32420e+04    4.00444e+05   -2.33537e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65404e+04   -2.44601e+06    4.80366e+05   -1.96564e+06    2.57758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11430e+02   -2.06711e+02    5.87641e+01    5.04622e-06


DD  step 241534999 load imb.: force 17.9%  pme mesh/force 0.739
           Step           Time
      241535000   483070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96457e+03    1.92857e+04    1.29082e+04    1.11926e+03   -2.94714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82633e+03    9.34420e+04    3.99716e+05   -2.34392e+04   -2.98075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62983e+04   -2.45158e+06    4.80254e+05   -1.97133e+06    2.57764e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.08226e+02   -4.17526e+01    4.94321e-06


DD  step 241539999 load imb.: force 15.7%  pme mesh/force 0.716
           Step           Time
      241540000   483080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13987e+03    1.97513e+04    1.31419e+04    1.19762e+03   -3.10586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73901e+03    9.28652e+04    4.02082e+05   -2.33572e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63642e+04   -2.44563e+06    4.82278e+05   -1.96335e+06    2.57769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12670e+02   -2.06773e+02    9.90282e+00    5.15933e-06


DD  step 241544999 load imb.: force 18.2%  pme mesh/force 0.712
           Step           Time
      241545000   483090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93670e+03    1.90688e+04    1.32281e+04    1.24326e+03   -3.03686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84495e+03    9.33721e+04    4.00638e+05   -2.33766e+04   -2.98265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64934e+04   -2.45224e+06    4.80884e+05   -1.97135e+06    2.57775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11766e+02   -2.07117e+02   -2.78878e+01    5.06950e-06


DD  step 241549999 load imb.: force 15.6%  pme mesh/force 0.723
           Step           Time
      241550000   483100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08756e+03    1.96987e+04    1.31025e+04    1.18346e+03   -3.10287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67489e+03    9.27987e+04    3.97770e+05   -2.32925e+04   -2.96991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66294e+04   -2.44236e+06    4.80461e+05   -1.96190e+06    2.57781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11491e+02   -2.05631e+02   -1.34953e+02    4.98444e-06


DD  step 241554999 load imb.: force 17.4%  pme mesh/force 0.738
           Step           Time
      241555000   483110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99935e+03    1.96627e+04    1.30999e+04    1.22200e+03   -3.08083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66817e+03    9.31754e+04    4.02562e+05   -2.33872e+04   -2.98173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65052e+04   -2.44930e+06    4.80557e+05   -1.96875e+06    2.57787e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11553e+02   -2.07304e+02    3.30008e+01    5.07641e-06


DD  step 241559999 load imb.: force 16.3%  pme mesh/force 0.740
           Step           Time
      241560000   483120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04411e+03    1.92855e+04    1.30996e+04    1.21744e+03   -2.95378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83253e+03    9.33643e+04    4.03107e+05   -2.34150e+04   -2.98188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65948e+04   -2.44871e+06    4.78125e+05   -1.97058e+06    2.57793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09977e+02   -2.07798e+02    7.96179e+01    5.07495e-06


DD  step 241564999 load imb.: force 17.3%  pme mesh/force 0.749
           Step           Time
      241565000   483130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08397e+03    1.92813e+04    1.30859e+04    1.17177e+03   -2.92546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83822e+03    9.30540e+04    4.01596e+05   -2.34003e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64561e+04   -2.44410e+06    4.80045e+05   -1.96406e+06    2.57799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11222e+02   -2.07536e+02    6.69546e+01    4.93306e-06


DD  step 241569999 load imb.: force 15.4%  pme mesh/force 0.726
           Step           Time
      241570000   483140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05047e+03    1.93257e+04    1.31089e+04    1.14222e+03   -3.08100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82301e+03    9.28287e+04    4.03483e+05   -2.34027e+04   -2.98371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66183e+04   -2.45082e+06    4.78620e+05   -1.97220e+06    2.57805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.07579e+02    2.46563e+01    4.99655e-06


DD  step 241574999 load imb.: force 18.7%  pme mesh/force 0.756
           Step           Time
      241575000   483150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95327e+03    1.95255e+04    1.30046e+04    1.14865e+03   -3.10850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83666e+03    9.32231e+04    4.00194e+05   -2.33889e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64323e+04   -2.44631e+06    4.80623e+05   -1.96568e+06    2.57811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11596e+02   -2.07335e+02    8.05984e+00    5.09424e-06


DD  step 241579999 load imb.: force 18.0%  pme mesh/force 0.708
           Step           Time
      241580000   483160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93886e+03    1.90317e+04    1.31516e+04    1.16504e+03   -3.04526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81390e+03    9.34406e+04    4.01977e+05   -2.34230e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63020e+04   -2.44797e+06    4.77354e+05   -1.97062e+06    2.57816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09477e+02   -2.07939e+02    6.69853e+01    4.97783e-06


DD  step 241584999 load imb.: force 17.1%  pme mesh/force 0.758
           Step           Time
      241585000   483170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08493e+03    1.93042e+04    1.31133e+04    1.25416e+03   -3.01406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89661e+03    9.23979e+04    4.01064e+05   -2.33945e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63485e+04   -2.44764e+06    4.80842e+05   -1.96680e+06    2.57822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11738e+02   -2.07434e+02    2.24964e+01    5.06027e-06


DD  step 241589999 load imb.: force 15.5%  pme mesh/force 0.740
           Step           Time
      241590000   483180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76000e+03    1.93408e+04    1.31526e+04    1.20002e+03   -3.00305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82441e+03    9.29411e+04    4.01867e+05   -2.33646e+04   -2.98129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62725e+04   -2.45030e+06    4.79975e+05   -1.97032e+06    2.57828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.06904e+02   -2.56738e+01    5.19303e-06


DD  step 241594999 load imb.: force 18.3%  pme mesh/force 0.766
           Step           Time
      241595000   483190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07982e+03    1.95969e+04    1.30910e+04    1.15156e+03   -2.96762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76781e+03    9.26404e+04    3.99766e+05   -2.33734e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65041e+04   -2.44713e+06    4.77941e+05   -1.96919e+06    2.57834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09858e+02   -2.07060e+02   -3.06032e+01    5.15935e-06


DD  step 241599999 load imb.: force 17.2%  pme mesh/force 0.713
           Step           Time
      241600000   483200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20678e+03    1.95841e+04    1.30518e+04    1.13931e+03   -2.96270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76124e+03    9.26415e+04    4.03410e+05   -2.33603e+04   -2.98011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63047e+04   -2.44733e+06    4.80607e+05   -1.96672e+06    2.57839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11586e+02   -2.06827e+02    2.81236e+01    4.96270e-06


DD  step 241604999 load imb.: force 16.5%  pme mesh/force 0.693
           Step           Time
      241605000   483210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92689e+03    1.92464e+04    1.32877e+04    1.16109e+03   -3.03453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80971e+03    9.24364e+04    4.00695e+05   -2.33885e+04   -2.97737e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65133e+04   -2.44772e+06    4.79814e+05   -1.96790e+06    2.57845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11072e+02   -2.07328e+02    2.43518e+01    5.01231e-06


DD  step 241609999 load imb.: force 16.5%  pme mesh/force 0.759
           Step           Time
      241610000   483220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04285e+03    1.93524e+04    1.30703e+04    1.10197e+03   -3.06421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84511e+03    9.24028e+04    4.01519e+05   -2.33984e+04   -2.97845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66143e+04   -2.44796e+06    4.79837e+05   -1.96813e+06    2.57851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11087e+02   -2.07503e+02    3.78440e+01    5.06862e-06


DD  step 241614999 load imb.: force 19.4%  pme mesh/force 0.738
           Step           Time
      241615000   483230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94021e+03    1.91674e+04    1.31514e+04    1.21202e+03   -2.87568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86758e+03    9.30032e+04    4.01353e+05   -2.33889e+04   -2.97773e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66059e+04   -2.44670e+06    4.78765e+05   -1.96793e+06    2.57857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.07334e+02    6.54129e+00    4.93213e-06


DD  step 241619999 load imb.: force 17.7%  pme mesh/force 0.745
           Step           Time
      241620000   483240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15080e+03    1.91768e+04    1.29186e+04    1.18461e+03   -2.92555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75791e+03    9.22195e+04    4.00466e+05   -2.33830e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68097e+04   -2.44636e+06    4.78596e+05   -1.96777e+06    2.57862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10282e+02   -2.07231e+02   -1.93041e+01    5.05817e-06


DD  step 241624999 load imb.: force 17.3%  pme mesh/force 0.754
           Step           Time
      241625000   483250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73465e+03    1.93604e+04    1.31510e+04    1.21972e+03   -2.99051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79508e+03    9.22646e+04    3.97768e+05   -2.34040e+04   -2.97185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66804e+04   -2.44527e+06    4.80690e+05   -1.96458e+06    2.57868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11640e+02   -2.07601e+02   -1.29069e+01    5.19868e-06


DD  step 241629999 load imb.: force 16.3%  pme mesh/force 0.726
           Step           Time
      241630000   483260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93302e+03    1.95104e+04    1.29578e+04    1.10230e+03   -2.99853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74463e+03    9.26231e+04    3.99602e+05   -2.33572e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64883e+04   -2.44976e+06    4.79029e+05   -1.97073e+06    2.57874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10563e+02   -2.06774e+02   -8.19691e+01    5.12010e-06


DD  step 241634999 load imb.: force 14.8%  pme mesh/force 0.736
           Step           Time
      241635000   483270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10167e+03    1.92312e+04    1.29248e+04    1.22143e+03   -2.94393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89174e+03    9.25504e+04    4.00203e+05   -2.33912e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64800e+04   -2.44815e+06    4.78734e+05   -1.96942e+06    2.57880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.07375e+02    2.37667e+01    5.18260e-06


DD  step 241639999 load imb.: force 16.2%  pme mesh/force 0.725
           Step           Time
      241640000   483280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00779e+03    1.96992e+04    1.31026e+04    1.21075e+03   -3.06563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88219e+03    9.21149e+04    4.03688e+05   -2.33785e+04   -2.97796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65315e+04   -2.44516e+06    4.79824e+05   -1.96534e+06    2.57885e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11079e+02   -2.07150e+02    8.01010e+01    5.09113e-06


DD  step 241644999 load imb.: force 19.0%  pme mesh/force 0.747
           Step           Time
      241645000   483290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10437e+03    1.92361e+04    1.29150e+04    1.25237e+03   -2.89489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81174e+03    9.27624e+04    4.01292e+05   -2.33768e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65683e+04   -2.44718e+06    4.79890e+05   -1.96729e+06    2.57892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11122e+02   -2.07120e+02    2.86564e+01    5.27283e-06


DD  step 241649999 load imb.: force 17.6%  pme mesh/force 0.762
           Step           Time
      241650000   483300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02162e+03    1.97589e+04    1.32414e+04    1.11742e+03   -3.01010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85669e+03    9.23601e+04    4.01333e+05   -2.33310e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63694e+04   -2.44366e+06    4.77668e+05   -1.96600e+06    2.57897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09681e+02   -2.06311e+02    3.31299e+01    4.96317e-06


DD  step 241654999 load imb.: force 16.5%  pme mesh/force 0.745
           Step           Time
      241655000   483310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83673e+03    1.93610e+04    1.30087e+04    1.17411e+03   -2.90977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81993e+03    9.29771e+04    4.00436e+05   -2.33729e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63981e+04   -2.44807e+06    4.76193e+05   -1.97188e+06    2.57903e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08725e+02   -2.07051e+02   -2.53989e+01    5.16775e-06


DD  step 241659999 load imb.: force 19.1%  pme mesh/force 0.755
           Step           Time
      241660000   483320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92131e+03    1.94996e+04    1.33197e+04    1.22279e+03   -2.95917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81869e+03    9.32069e+04    4.01317e+05   -2.34134e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65883e+04   -2.44762e+06    4.79211e+05   -1.96841e+06    2.57908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10681e+02   -2.07769e+02    5.08366e+01    5.14439e-06


DD  step 241664999 load imb.: force 17.1%  pme mesh/force 0.730
           Step           Time
      241665000   483330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98676e+03    1.89583e+04    1.31642e+04    1.19251e+03   -3.07840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86410e+03    9.31414e+04    3.97954e+05   -2.33346e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63825e+04   -2.44661e+06    4.79293e+05   -1.96732e+06    2.57914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.06374e+02   -8.08118e+01    5.21277e-06


DD  step 241669999 load imb.: force 16.4%  pme mesh/force 0.740
           Step           Time
      241670000   483340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03043e+03    1.91578e+04    1.30839e+04    1.24033e+03   -3.00154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67531e+03    9.26689e+04    3.99475e+05   -2.34044e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63170e+04   -2.44986e+06    4.80325e+05   -1.96954e+06    2.57920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11403e+02   -2.07608e+02   -5.42382e+01    5.06455e-06


DD  step 241674999 load imb.: force 16.3%  pme mesh/force 0.705
           Step           Time
      241675000   483350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13048e+03    1.95313e+04    1.31042e+04    1.14187e+03   -3.00894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80117e+03    9.33454e+04    4.00634e+05   -2.33605e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65803e+04   -2.44516e+06    4.80982e+05   -1.96418e+06    2.57926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11829e+02   -2.06832e+02    5.45424e+00    5.15333e-06


DD  step 241679999 load imb.: force 16.6%  pme mesh/force 0.714
           Step           Time
      241680000   483360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26138e+03    1.91964e+04    1.33259e+04    1.14446e+03   -3.04952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83292e+03    9.27581e+04    4.00492e+05   -2.33792e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64784e+04   -2.44628e+06    4.80653e+05   -1.96563e+06    2.57932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11616e+02   -2.07162e+02   -9.70621e+00    5.14379e-06


DD  step 241684999 load imb.: force 17.0%  pme mesh/force 0.726
           Step           Time
      241685000   483370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92668e+03    1.95190e+04    1.31889e+04    1.23267e+03   -3.07279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82424e+03    9.21847e+04    4.01582e+05   -2.34068e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65132e+04   -2.44730e+06    4.78839e+05   -1.96846e+06    2.57938e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10440e+02   -2.07652e+02    4.69488e+01    5.17950e-06


DD  step 241689999 load imb.: force 18.7%  pme mesh/force 0.728
           Step           Time
      241690000   483380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18082e+03    1.96353e+04    1.32955e+04    1.18479e+03   -3.07129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68843e+03    9.23772e+04    3.98787e+05   -2.33744e+04   -2.97319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68581e+04   -2.44463e+06    4.78684e+05   -1.96595e+06    2.57944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.07077e+02   -2.42491e+01    5.14470e-06


DD  step 241694999 load imb.: force 16.3%  pme mesh/force 0.727
           Step           Time
      241695000   483390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99033e+03    1.92342e+04    1.30373e+04    1.22331e+03   -3.02988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79144e+03    9.27347e+04    3.99852e+05   -2.33926e+04   -2.97637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65972e+04   -2.44733e+06    4.79489e+05   -1.96784e+06    2.57949e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.07401e+02   -3.38985e+01    5.09969e-06


DD  step 241699999 load imb.: force 16.3%  pme mesh/force 0.724
           Step           Time
      241700000   483400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93424e+03    1.94287e+04    1.30564e+04    1.22111e+03   -2.97525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84237e+03    9.29361e+04    4.00511e+05   -2.34030e+04   -2.97794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66113e+04   -2.44778e+06    4.78297e+05   -1.96948e+06    2.57955e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10089e+02   -2.07584e+02    2.70353e+01    5.12150e-06


DD  step 241704999 load imb.: force 19.4%  pme mesh/force 0.766
           Step           Time
      241705000   483410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81483e+03    1.93111e+04    1.30386e+04    1.22481e+03   -3.02140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79995e+03    9.23980e+04    4.01537e+05   -2.33527e+04   -2.97928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64806e+04   -2.44905e+06    4.78455e+05   -1.97059e+06    2.57961e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10191e+02   -2.06694e+02   -1.04413e+01    5.03475e-06


DD  step 241709999 load imb.: force 16.0%  pme mesh/force 0.731
           Step           Time
      241710000   483420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13419e+03    1.90688e+04    1.31058e+04    1.12224e+03   -2.99517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81662e+03    9.26208e+04    4.00033e+05   -2.33631e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63926e+04   -2.44834e+06    4.77856e+05   -1.97048e+06    2.57967e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09803e+02   -2.06878e+02   -1.00703e+02    5.28956e-06


DD  step 241714999 load imb.: force 16.2%  pme mesh/force 0.714
           Step           Time
      241715000   483430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95334e+03    1.94858e+04    1.29610e+04    1.20482e+03   -3.05133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78385e+03    9.24584e+04    4.00172e+05   -2.33552e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63015e+04   -2.44924e+06    4.79041e+05   -1.97020e+06    2.57973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.06738e+02   -7.47774e+01    5.29615e-06


DD  step 241719999 load imb.: force 17.0%  pme mesh/force 0.719
           Step           Time
      241720000   483440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02764e+03    1.94857e+04    1.31772e+04    1.18512e+03   -3.02956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79080e+03    9.26949e+04    4.01586e+05   -2.33874e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66504e+04   -2.44839e+06    4.80912e+05   -1.96747e+06    2.57979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11784e+02   -2.07308e+02    3.06424e+01    5.13139e-06


DD  step 241724999 load imb.: force 16.5%  pme mesh/force 0.714
           Step           Time
      241725000   483450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08851e+03    1.94943e+04    1.30042e+04    1.10834e+03   -3.08212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77867e+03    9.27788e+04    3.95275e+05   -2.33319e+04   -2.96733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65172e+04   -2.44269e+06    4.78339e+05   -1.96436e+06    2.57984e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10116e+02   -2.06326e+02   -1.89915e+02    5.20222e-06


DD  step 241729999 load imb.: force 17.0%  pme mesh/force 0.731
           Step           Time
      241730000   483460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79031e+03    1.91032e+04    1.31143e+04    1.20802e+03   -2.95945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94943e+03    9.30592e+04    4.00873e+05   -2.33579e+04   -2.98003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65602e+04   -2.44969e+06    4.79695e+05   -1.96999e+06    2.57990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.06786e+02   -3.65022e+01    5.23861e-06


DD  step 241734999 load imb.: force 18.1%  pme mesh/force 0.737
           Step           Time
      241735000   483470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05239e+03    1.96328e+04    1.30008e+04    1.13068e+03   -3.02864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77730e+03    9.33434e+04    4.00860e+05   -2.33359e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69131e+04   -2.44473e+06    4.80775e+05   -1.96396e+06    2.57996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11695e+02   -2.06397e+02   -3.17500e+01    5.03742e-06

Writing checkpoint, step 241737450 at Wed Nov  8 11:46:28 2023



DD  step 241739999 load imb.: force 18.9%  pme mesh/force 0.719
           Step           Time
      241740000   483480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85170e+03    1.98542e+04    1.29372e+04    1.23655e+03   -2.99935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85801e+03    9.31931e+04    4.01245e+05   -2.34316e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67436e+04   -2.44607e+06    4.79807e+05   -1.96626e+06    2.58002e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.08092e+02    8.23847e+01    5.27442e-06


DD  step 241744999 load imb.: force 17.2%  pme mesh/force 0.746
           Step           Time
      241745000   483490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85135e+03    1.91653e+04    1.31811e+04    1.25027e+03   -2.97274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81545e+03    9.27504e+04    3.99899e+05   -2.33598e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67142e+04   -2.44604e+06    4.79769e+05   -1.96628e+06    2.58008e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11043e+02   -2.06819e+02   -2.76269e+01    5.13853e-06


DD  step 241749999 load imb.: force 17.3%  pme mesh/force 0.730
           Step           Time
      241750000   483500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99559e+03    1.97040e+04    1.31555e+04    1.26847e+03   -3.03678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92696e+03    9.24641e+04    3.98574e+05   -2.34160e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63823e+04   -2.44826e+06    4.80429e+05   -1.96783e+06    2.58014e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11471e+02   -2.07814e+02   -4.99358e+00    5.27501e-06


DD  step 241754999 load imb.: force 17.0%  pme mesh/force 0.754
           Step           Time
      241755000   483510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09694e+03    1.89375e+04    1.30645e+04    1.11717e+03   -3.10219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81440e+03    9.28249e+04    4.00296e+05   -2.34580e+04   -2.97939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63900e+04   -2.45040e+06    4.79401e+05   -1.97100e+06    2.58019e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10804e+02   -2.08560e+02    1.01659e+01    5.09432e-06


DD  step 241759999 load imb.: force 16.7%  pme mesh/force 0.734
           Step           Time
      241760000   483520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97202e+03    1.94003e+04    1.30084e+04    1.19642e+03   -3.05514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92421e+03    9.24528e+04    4.01547e+05   -2.34518e+04   -2.97775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66500e+04   -2.44711e+06    4.78877e+05   -1.96823e+06    2.58026e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10464e+02   -2.08450e+02    1.08363e+02    5.12619e-06


DD  step 241764999 load imb.: force 15.8%  pme mesh/force 0.724
           Step           Time
      241765000   483530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95613e+03    1.92793e+04    1.30754e+04    1.23478e+03   -2.93976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86344e+03    9.28915e+04    4.02370e+05   -2.33261e+04   -2.97903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66020e+04   -2.44702e+06    4.78756e+05   -1.96827e+06    2.58032e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10386e+02   -2.06224e+02    2.77522e+01    5.30698e-06


DD  step 241769999 load imb.: force 17.5%  pme mesh/force 0.772
           Step           Time
      241770000   483540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00212e+03    1.93148e+04    1.31163e+04    1.17004e+03   -3.06092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84072e+03    9.28415e+04    4.01730e+05   -2.33921e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63996e+04   -2.44685e+06    4.79871e+05   -1.96698e+06    2.58037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.07391e+02    4.21923e+01    5.17685e-06


DD  step 241774999 load imb.: force 18.5%  pme mesh/force 0.733
           Step           Time
      241775000   483550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86506e+03    1.95945e+04    1.29129e+04    1.20079e+03   -3.01252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92549e+03    9.23123e+04    4.00449e+05   -2.33723e+04   -2.98005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64783e+04   -2.45070e+06    4.81781e+05   -1.96892e+06    2.58044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12347e+02   -2.07041e+02    1.77010e+01    5.21890e-06


DD  step 241779999 load imb.: force 16.7%  pme mesh/force 0.731
           Step           Time
      241780000   483560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14028e+03    1.94354e+04    1.31471e+04    1.10474e+03   -3.08419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89723e+03    9.29253e+04    3.99740e+05   -2.33518e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65852e+04   -2.44672e+06    4.79398e+05   -1.96732e+06    2.58049e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10803e+02   -2.06678e+02   -9.30822e+01    5.28086e-06


DD  step 241784999 load imb.: force 18.4%  pme mesh/force 0.765
           Step           Time
      241785000   483570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00350e+03    1.93503e+04    1.32609e+04    1.19683e+03   -3.07266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02785e+03    9.35160e+04    4.02994e+05   -2.34143e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64444e+04   -2.44689e+06    4.79843e+05   -1.96705e+06    2.58055e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11091e+02   -2.07784e+02    1.04775e+02    5.12965e-06


DD  step 241789999 load imb.: force 17.4%  pme mesh/force 0.726
           Step           Time
      241790000   483580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14702e+03    1.90518e+04    1.30807e+04    1.20866e+03   -3.27903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91333e+03    9.23891e+04    3.99389e+05   -2.33395e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63593e+04   -2.44749e+06    4.79509e+05   -1.96799e+06    2.58061e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10874e+02   -2.06460e+02   -3.97740e+01    5.07614e-06


DD  step 241794999 load imb.: force 15.6%  pme mesh/force 0.727
           Step           Time
      241795000   483590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81238e+03    1.97444e+04    1.30631e+04    1.25474e+03   -3.07755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73192e+03    9.29512e+04    4.02254e+05   -2.33938e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65441e+04   -2.44775e+06    4.82104e+05   -1.96564e+06    2.58067e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12557e+02   -2.07421e+02    8.30631e+01    5.12046e-06


DD  step 241799999 load imb.: force 19.4%  pme mesh/force 0.745
           Step           Time
      241800000   483600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92434e+03    1.96439e+04    1.30154e+04    1.16111e+03   -2.99565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80657e+03    9.24465e+04    3.99460e+05   -2.34249e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63008e+04   -2.44713e+06    4.79307e+05   -1.96782e+06    2.58073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.07972e+02    3.98522e+01    5.22401e-06


DD  step 241804999 load imb.: force 18.0%  pme mesh/force 0.736
           Step           Time
      241805000   483610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73986e+03    1.95587e+04    1.32275e+04    1.24364e+03   -3.11037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78059e+03    9.29538e+04    3.96494e+05   -2.33670e+04   -2.97171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65795e+04   -2.44561e+06    4.81437e+05   -1.96417e+06    2.58078e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12124e+02   -2.06946e+02   -6.82156e+01    5.35023e-06


DD  step 241809999 load imb.: force 15.1%  pme mesh/force 0.749
           Step           Time
      241810000   483620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81373e+03    1.97680e+04    1.29936e+04    1.09955e+03   -2.97652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90118e+03    9.29733e+04    4.01244e+05   -2.34159e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63655e+04   -2.44766e+06    4.79444e+05   -1.96822e+06    2.58084e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10832e+02   -2.07813e+02    2.83531e+01    5.19146e-06


DD  step 241814999 load imb.: force 16.5%  pme mesh/force 0.713
           Step           Time
      241815000   483630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13439e+03    1.96295e+04    1.29738e+04    1.26316e+03   -2.99823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77707e+03    9.30858e+04    3.99419e+05   -2.34026e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64383e+04   -2.44507e+06    4.80881e+05   -1.96419e+06    2.58090e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11764e+02   -2.07577e+02   -2.16739e+01    5.09983e-06


DD  step 241819999 load imb.: force 15.9%  pme mesh/force 0.711
           Step           Time
      241820000   483640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13381e+03    1.96087e+04    1.30034e+04    1.21105e+03   -3.05264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75477e+03    9.29614e+04    4.00994e+05   -2.34283e+04   -2.97956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65614e+04   -2.44882e+06    4.78128e+05   -1.97069e+06    2.58096e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09979e+02   -2.08032e+02    3.15785e+01    4.91920e-06


DD  step 241824999 load imb.: force 15.2%  pme mesh/force 0.698
           Step           Time
      241825000   483650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83294e+03    1.92396e+04    1.31725e+04    1.18628e+03   -2.94799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91933e+03    9.32607e+04    4.00926e+05   -2.33659e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64801e+04   -2.44678e+06    4.79118e+05   -1.96766e+06    2.58101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10621e+02   -2.06928e+02    2.60108e+01    5.12626e-06


DD  step 241829999 load imb.: force 16.9%  pme mesh/force 0.713
           Step           Time
      241830000   483660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96128e+03    1.92719e+04    1.30579e+04    1.17500e+03   -2.97375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81883e+03    9.30641e+04    4.00645e+05   -2.33772e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66138e+04   -2.44732e+06    4.79999e+05   -1.96732e+06    2.58107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11192e+02   -2.07126e+02    1.97254e+01    5.15164e-06


DD  step 241834999 load imb.: force 17.1%  pme mesh/force 0.719
           Step           Time
      241835000   483670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96063e+03    1.92139e+04    1.30907e+04    1.23694e+03   -3.00341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88032e+03    9.29467e+04    4.00962e+05   -2.33699e+04   -2.97651e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64718e+04   -2.44612e+06    4.78266e+05   -1.96786e+06    2.58113e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10068e+02   -2.06997e+02    8.46233e+00    5.21738e-06


DD  step 241839999 load imb.: force 19.2%  pme mesh/force 0.731
           Step           Time
      241840000   483680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86216e+03    1.99638e+04    1.29957e+04    1.12524e+03   -2.89671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84147e+03    9.27874e+04    4.02183e+05   -2.34154e+04   -2.98048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63189e+04   -2.44872e+06    4.77785e+05   -1.97093e+06    2.58119e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09757e+02   -2.07804e+02    9.13657e+01    5.09346e-06


DD  step 241844999 load imb.: force 18.6%  pme mesh/force 0.754
           Step           Time
      241845000   483690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95922e+03    1.94204e+04    1.30288e+04    1.18165e+03   -3.10107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80162e+03    9.34398e+04    3.99964e+05   -2.34104e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63395e+04   -2.44866e+06    4.80762e+05   -1.96790e+06    2.58124e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11686e+02   -2.07715e+02   -2.95091e+01    5.11366e-06


DD  step 241849999 load imb.: force 20.2%  pme mesh/force 0.773
           Step           Time
      241850000   483700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22845e+03    1.94998e+04    1.32440e+04    1.18690e+03   -2.87350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87328e+03    9.32605e+04    3.99516e+05   -2.34103e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63563e+04   -2.44671e+06    4.81270e+05   -1.96544e+06    2.58129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12016e+02   -2.07714e+02    1.51276e+01    5.08700e-06


DD  step 241854999 load imb.: force 18.4%  pme mesh/force 0.733
           Step           Time
      241855000   483710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18666e+03    1.93662e+04    1.31762e+04    1.14570e+03   -3.01267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79412e+03    9.31005e+04    4.00540e+05   -2.33949e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65257e+04   -2.44666e+06    4.79156e+05   -1.96750e+06    2.58135e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10645e+02   -2.07440e+02    1.27374e+01    5.29514e-06


DD  step 241859999 load imb.: force 15.7%  pme mesh/force 0.713
           Step           Time
      241860000   483720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03125e+03    1.92076e+04    1.29609e+04    1.05958e+03   -2.95311e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74825e+03    9.30042e+04    4.00672e+05   -2.33221e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66423e+04   -2.44748e+06    4.80120e+05   -1.96736e+06    2.58140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11271e+02   -2.06153e+02   -4.41370e+01    5.14665e-06


DD  step 241864999 load imb.: force 18.7%  pme mesh/force 0.746
           Step           Time
      241865000   483730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99882e+03    1.97546e+04    1.31543e+04    1.22447e+03   -2.97929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82525e+03    9.27491e+04    4.01913e+05   -2.34233e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62069e+04   -2.44658e+06    4.81414e+05   -1.96516e+06    2.58146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12109e+02   -2.07944e+02    8.87837e+01    5.13203e-06


DD  step 241869999 load imb.: force 17.3%  pme mesh/force 0.699
           Step           Time
      241870000   483740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00459e+03    1.92825e+04    1.29468e+04    1.13454e+03   -2.93396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89254e+03    9.33036e+04    4.01582e+05   -2.33928e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66358e+04   -2.44612e+06    4.79924e+05   -1.96620e+06    2.58152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11144e+02   -2.07404e+02    3.06768e+01    4.88960e-06


DD  step 241874999 load imb.: force 16.5%  pme mesh/force 0.718
           Step           Time
      241875000   483750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01432e+03    1.95404e+04    1.28899e+04    1.18858e+03   -2.89362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78686e+03    9.35490e+04    3.99926e+05   -2.33590e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64232e+04   -2.44583e+06    4.79678e+05   -1.96615e+06    2.58158e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10984e+02   -2.06806e+02   -4.00683e+01    5.10951e-06


DD  step 241879999 load imb.: force 15.4%  pme mesh/force 0.737
           Step           Time
      241880000   483760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96267e+03    1.93993e+04    1.31549e+04    1.20211e+03   -3.03226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83621e+03    9.32124e+04    3.98721e+05   -2.33813e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67251e+04   -2.44661e+06    4.78763e+05   -1.96785e+06    2.58164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.07200e+02   -6.01281e+01    5.10318e-06


DD  step 241884999 load imb.: force 14.8%  pme mesh/force 0.704
           Step           Time
      241885000   483770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20027e+03    1.93098e+04    1.29019e+04    1.14156e+03   -2.95279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77891e+03    9.30688e+04    4.00020e+05   -2.33618e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44824e+06    4.77787e+05   -1.97046e+06    2.58169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09758e+02   -2.06855e+02   -7.83140e+01    4.97170e-06


DD  step 241889999 load imb.: force 16.3%  pme mesh/force 0.734
           Step           Time
      241890000   483780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92225e+03    1.92892e+04    1.31150e+04    1.18116e+03   -3.11064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92380e+03    9.28166e+04    3.99000e+05   -2.33993e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63616e+04   -2.44796e+06    4.79757e+05   -1.96820e+06    2.58175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11035e+02   -2.07518e+02   -4.76211e+01    4.99222e-06


DD  step 241894999 load imb.: force 15.6%  pme mesh/force 0.698
           Step           Time
      241895000   483790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93073e+03    1.91674e+04    1.30166e+04    1.19582e+03   -2.96167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96781e+03    9.24949e+04    3.99044e+05   -2.33484e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63886e+04   -2.44776e+06    4.79406e+05   -1.96835e+06    2.58180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10808e+02   -2.06617e+02   -4.13301e+01    5.19280e-06


DD  step 241899999 load imb.: force 15.6%  pme mesh/force 0.722
           Step           Time
      241900000   483800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98871e+03    1.94080e+04    1.31053e+04    1.20631e+03   -3.07286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92361e+03    9.27758e+04    4.00985e+05   -2.34150e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65531e+04   -2.44757e+06    4.78451e+05   -1.96912e+06    2.58187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10188e+02   -2.07796e+02    2.67543e+01    4.96719e-06


DD  step 241904999 load imb.: force 16.7%  pme mesh/force 0.741
           Step           Time
      241905000   483810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11977e+03    1.93107e+04    1.29407e+04    1.08764e+03   -2.87556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94117e+03    9.27699e+04    3.98037e+05   -2.33454e+04   -2.97390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66026e+04   -2.44631e+06    4.80163e+05   -1.96615e+06    2.58192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11298e+02   -2.06566e+02   -4.65453e+01    5.07147e-06


DD  step 241909999 load imb.: force 16.2%  pme mesh/force 0.712
           Step           Time
      241910000   483820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98985e+03    1.96946e+04    1.31593e+04    1.26384e+03   -2.99744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97122e+03    9.32528e+04    4.04629e+05   -2.33965e+04   -2.98226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65132e+04   -2.44719e+06    4.81121e+05   -1.96606e+06    2.58198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11920e+02   -2.07468e+02    1.47181e+02    4.98066e-06


DD  step 241914999 load imb.: force 17.6%  pme mesh/force 0.736
           Step           Time
      241915000   483830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81826e+03    1.96224e+04    1.32832e+04    1.24663e+03   -3.08838e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99765e+03    9.31950e+04    4.02361e+05   -2.34020e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65514e+04   -2.44691e+06    4.80675e+05   -1.96623e+06    2.58204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.07567e+02    1.04486e+02    4.86745e-06


DD  step 241919999 load imb.: force 15.6%  pme mesh/force 0.708
           Step           Time
      241920000   483840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99338e+03    1.93387e+04    1.30618e+04    1.22345e+03   -2.95139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89633e+03    9.28800e+04    4.00037e+05   -2.33634e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66052e+04   -2.44738e+06    4.79253e+05   -1.96813e+06    2.58209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10708e+02   -2.06883e+02   -3.41838e+01    5.07519e-06


DD  step 241924999 load imb.: force 15.0%  pme mesh/force 0.707
           Step           Time
      241925000   483850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03713e+03    1.92447e+04    1.33329e+04    1.20446e+03   -3.09098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81506e+03    9.29867e+04    3.98345e+05   -2.33508e+04   -2.97351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66312e+04   -2.44536e+06    4.79493e+05   -1.96586e+06    2.58215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10864e+02   -2.06660e+02   -5.84850e+01    4.97239e-06


DD  step 241929999 load imb.: force 17.9%  pme mesh/force 0.753
           Step           Time
      241930000   483860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95201e+03    1.91430e+04    1.30250e+04    1.10091e+03   -2.88348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69176e+03    9.31746e+04    4.02656e+05   -2.33850e+04   -2.98146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65972e+04   -2.44939e+06    4.78393e+05   -1.97100e+06    2.58221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10151e+02   -2.07266e+02   -1.44827e+01    4.99589e-06


DD  step 241934999 load imb.: force 14.7%  pme mesh/force 0.701
           Step           Time
      241935000   483870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03240e+03    1.96139e+04    1.32038e+04    1.13765e+03   -3.18804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85097e+03    9.28682e+04    3.99038e+05   -2.33378e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65905e+04   -2.44532e+06    4.78091e+05   -1.96723e+06    2.58227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09955e+02   -2.06431e+02   -4.54791e+01    5.12343e-06


DD  step 241939999 load imb.: force 15.2%  pme mesh/force 0.726
           Step           Time
      241940000   483880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86047e+03    1.96114e+04    1.32467e+04    1.23727e+03   -3.19572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81169e+03    9.30787e+04    3.97108e+05   -2.34033e+04   -2.97164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62943e+04   -2.44499e+06    4.79994e+05   -1.96499e+06    2.58233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.07589e+02   -3.68611e+01    5.16473e-06


DD  step 241944999 load imb.: force 15.9%  pme mesh/force 0.702
           Step           Time
      241945000   483890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12313e+03    1.95284e+04    1.30233e+04    1.15989e+03   -3.07966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77346e+03    9.27937e+04    4.00365e+05   -2.33764e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64897e+04   -2.44710e+06    4.80231e+05   -1.96686e+06    2.58238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11342e+02   -2.07112e+02    3.63168e+00    4.98497e-06


DD  step 241949999 load imb.: force 13.7%  pme mesh/force 0.699
           Step           Time
      241950000   483900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94592e+03    1.97552e+04    1.29919e+04    1.22371e+03   -2.95197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76910e+03    9.28370e+04    4.02597e+05   -2.33971e+04   -2.97969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64811e+04   -2.44744e+06    4.79198e+05   -1.96824e+06    2.58245e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10672e+02   -2.07479e+02    2.27638e+01    5.05791e-06


DD  step 241954999 load imb.: force 16.9%  pme mesh/force 0.711
           Step           Time
      241955000   483910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23528e+03    1.92131e+04    1.29591e+04    1.13416e+03   -2.92866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77184e+03    9.30956e+04    4.02322e+05   -2.33899e+04   -2.98110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62878e+04   -2.44940e+06    4.78561e+05   -1.97084e+06    2.58250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10260e+02   -2.07352e+02    5.31393e+01    5.07649e-06


DD  step 241959999 load imb.: force 16.1%  pme mesh/force 0.703
           Step           Time
      241960000   483920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00361e+03    1.92159e+04    1.30616e+04    1.20027e+03   -2.97105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78243e+03    9.29499e+04    3.98662e+05   -2.33969e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61674e+04   -2.45004e+06    4.77847e+05   -1.97219e+06    2.58256e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09797e+02   -2.07475e+02   -5.31584e+01    5.17031e-06


DD  step 241964999 load imb.: force 16.5%  pme mesh/force 0.712
           Step           Time
      241965000   483930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35732e+03    1.96085e+04    1.30700e+04    1.19466e+03   -2.97390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68030e+03    9.25745e+04    4.00890e+05   -2.34209e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65600e+04   -2.44632e+06    4.77681e+05   -1.96863e+06    2.58262e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09689e+02   -2.07902e+02    3.03224e+01    5.08228e-06


DD  step 241969999 load imb.: force 16.1%  pme mesh/force 0.742
           Step           Time
      241970000   483940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13234e+03    1.95366e+04    1.30286e+04    1.19142e+03   -3.05042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88783e+03    9.28510e+04    3.97006e+05   -2.34075e+04   -2.97362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66252e+04   -2.44682e+06    4.80401e+05   -1.96642e+06    2.58267e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11453e+02   -2.07664e+02   -4.31859e+01    5.13679e-06


DD  step 241974999 load imb.: force 15.2%  pme mesh/force 0.695
           Step           Time
      241975000   483950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08945e+03    1.89956e+04    1.29435e+04    1.21591e+03   -2.96207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83126e+03    9.32035e+04    4.01712e+05   -2.34187e+04   -2.98325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62792e+04   -2.45236e+06    4.77656e+05   -1.97470e+06    2.58273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09673e+02   -2.07862e+02    4.03697e+01    5.10633e-06


DD  step 241979999 load imb.: force 18.3%  pme mesh/force 0.741
           Step           Time
      241980000   483960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10626e+03    1.93232e+04    1.28480e+04    1.13540e+03   -2.95576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75052e+03    9.27079e+04    3.98946e+05   -2.34131e+04   -2.97475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64550e+04   -2.44684e+06    4.78024e+05   -1.96882e+06    2.58279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09911e+02   -2.07763e+02   -2.62888e+01    5.07835e-06


DD  step 241984999 load imb.: force 14.1%  pme mesh/force 0.730
           Step           Time
      241985000   483970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17221e+03    1.94032e+04    1.30222e+04    1.15009e+03   -3.01281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84937e+03    9.26936e+04    3.99952e+05   -2.33958e+04   -2.97684e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62834e+04   -2.44772e+06    4.79287e+05   -1.96843e+06    2.58285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10730e+02   -2.07457e+02   -2.55139e+01    5.18156e-06


DD  step 241989999 load imb.: force 19.4%  pme mesh/force 0.754
           Step           Time
      241990000   483980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88481e+03    1.93494e+04    1.30827e+04    1.16132e+03   -2.95749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92558e+03    9.30720e+04    4.03847e+05   -2.33955e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65447e+04   -2.44526e+06    4.81218e+05   -1.96404e+06    2.58290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11982e+02   -2.07452e+02    1.61836e+02    5.16372e-06


DD  step 241994999 load imb.: force 17.3%  pme mesh/force 0.733
           Step           Time
      241995000   483990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23927e+03    1.92694e+04    1.29996e+04    1.14221e+03   -2.99694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73472e+03    9.26627e+04    3.99586e+05   -2.33711e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64205e+04   -2.44888e+06    4.80966e+05   -1.96792e+06    2.58296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11819e+02   -2.07019e+02   -3.06401e+01    4.87655e-06


DD  step 241999999 load imb.: force 15.9%  pme mesh/force 0.696
           Step           Time
      242000000   484000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88735e+03    1.97476e+04    1.29335e+04    1.13887e+03   -2.94404e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92647e+03    9.27876e+04    3.98309e+05   -2.33606e+04   -2.97294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66273e+04   -2.44489e+06    4.78177e+05   -1.96671e+06    2.58302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10010e+02   -2.06833e+02   -3.70260e+01    5.17431e-06


DD  step 242004999 load imb.: force 16.7%  pme mesh/force 0.699
           Step           Time
      242005000   484010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89067e+03    1.98121e+04    1.31029e+04    1.17352e+03   -3.06120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68171e+03    9.26272e+04    4.01145e+05   -2.34562e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62943e+04   -2.44835e+06    4.79694e+05   -1.96866e+06    2.58308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.08527e+02    3.42671e+01    5.28321e-06


DD  step 242009999 load imb.: force 16.7%  pme mesh/force 0.740
           Step           Time
      242010000   484020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14999e+03    1.97277e+04    1.31204e+04    1.17790e+03   -3.02113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80766e+03    9.24188e+04    4.01444e+05   -2.33919e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65555e+04   -2.44412e+06    4.81790e+05   -1.96233e+06    2.58313e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12353e+02   -2.07388e+02    6.90174e+01    5.18117e-06


DD  step 242014999 load imb.: force 16.3%  pme mesh/force 0.710
           Step           Time
      242015000   484030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08304e+03    1.91751e+04    1.29364e+04    1.18853e+03   -2.88293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92540e+03    9.30587e+04    4.00375e+05   -2.34559e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63862e+04   -2.44641e+06    4.79490e+05   -1.96692e+06    2.58319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.08522e+02    9.81389e+01    5.25252e-06


DD  step 242019999 load imb.: force 17.0%  pme mesh/force 0.716
           Step           Time
      242020000   484040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02325e+03    1.98001e+04    1.32187e+04    1.17557e+03   -2.93689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80595e+03    9.26569e+04    3.98850e+05   -2.34035e+04   -2.97424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67145e+04   -2.44533e+06    4.80127e+05   -1.96521e+06    2.58325e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07592e+02    1.10639e+01    5.00265e-06


DD  step 242024999 load imb.: force 16.6%  pme mesh/force 0.728
           Step           Time
      242025000   484050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93521e+03    1.94572e+04    1.30187e+04    1.23246e+03   -3.12286e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80766e+03    9.28965e+04    3.98135e+05   -2.33522e+04   -2.97575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64898e+04   -2.44825e+06    4.75662e+05   -1.97259e+06    2.58331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08380e+02   -2.06685e+02   -7.61488e+01    5.11474e-06


DD  step 242029999 load imb.: force 17.1%  pme mesh/force 0.745
           Step           Time
      242030000   484060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93143e+03    1.93173e+04    1.31218e+04    1.24572e+03   -2.96780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76942e+03    9.32697e+04    4.00851e+05   -2.34066e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64917e+04   -2.44721e+06    4.79343e+05   -1.96786e+06    2.58336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10766e+02   -2.07649e+02    3.33652e+01    5.04723e-06


DD  step 242034999 load imb.: force 17.7%  pme mesh/force 0.752
           Step           Time
      242035000   484070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00702e+03    1.91190e+04    1.31757e+04    1.23646e+03   -3.03985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83091e+03    9.34066e+04    4.00345e+05   -2.33337e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64820e+04   -2.44615e+06    4.78772e+05   -1.96738e+06    2.58342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10396e+02   -2.06357e+02   -3.38558e+01    5.10481e-06


DD  step 242039999 load imb.: force 17.2%  pme mesh/force 0.735
           Step           Time
      242040000   484080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15308e+03    1.93028e+04    1.28506e+04    1.23813e+03   -3.00610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82717e+03    9.30246e+04    4.00242e+05   -2.33014e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63944e+04   -2.44708e+06    4.77775e+05   -1.96930e+06    2.58348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09750e+02   -2.05788e+02   -7.06350e+01    5.07144e-06


DD  step 242044999 load imb.: force 16.4%  pme mesh/force 0.744
           Step           Time
      242045000   484090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11320e+03    1.96252e+04    1.29987e+04    1.24732e+03   -2.92650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84915e+03    9.24038e+04    3.97461e+05   -2.33526e+04   -2.97295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64437e+04   -2.44608e+06    4.78101e+05   -1.96798e+06    2.58354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.06692e+02   -8.24991e+01    5.23055e-06


DD  step 242049999 load imb.: force 17.4%  pme mesh/force 0.738
           Step           Time
      242050000   484100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88401e+03    1.92042e+04    1.29207e+04    1.12330e+03   -2.95188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77234e+03    9.33309e+04    4.02313e+05   -2.33941e+04   -2.98111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64250e+04   -2.44948e+06    4.78649e+05   -1.97083e+06    2.58360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.07426e+02    3.04392e+01    4.97382e-06


DD  step 242054999 load imb.: force 17.5%  pme mesh/force 0.735
           Step           Time
      242055000   484110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21313e+03    1.95420e+04    1.31535e+04    1.09754e+03   -3.12385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76417e+03    9.30751e+04    4.03585e+05   -2.33757e+04   -2.97945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65175e+04   -2.44601e+06    4.79933e+05   -1.96607e+06    2.58366e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11149e+02   -2.07100e+02    7.19353e+01    5.29639e-06


DD  step 242059999 load imb.: force 16.9%  pme mesh/force 0.710
           Step           Time
      242060000   484120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06856e+03    1.95221e+04    1.29138e+04    1.14376e+03   -2.98236e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79965e+03    9.28826e+04    4.01456e+05   -2.33836e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62810e+04   -2.44763e+06    4.80025e+05   -1.96760e+06    2.58371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11209e+02   -2.07241e+02    3.65026e+01    5.11599e-06


DD  step 242064999 load imb.: force 18.7%  pme mesh/force 0.718
           Step           Time
      242065000   484130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97069e+03    1.93556e+04    1.29265e+04    1.25207e+03   -2.94227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86851e+03    9.30258e+04    4.00870e+05   -2.34460e+04   -2.97933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65266e+04   -2.44892e+06    4.79627e+05   -1.96930e+06    2.58377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.08347e+02    1.80936e+01    4.98695e-06


DD  step 242069999 load imb.: force 16.5%  pme mesh/force 0.748
           Step           Time
      242070000   484140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80152e+03    1.93602e+04    1.30635e+04    1.15903e+03   -2.95623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86382e+03    9.36004e+04    3.98928e+05   -2.33488e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64807e+04   -2.44465e+06    4.79420e+05   -1.96523e+06    2.58383e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.06625e+02   -3.70719e+01    5.14085e-06

Writing checkpoint, step 242070750 at Wed Nov  8 12:01:28 2023



DD  step 242074999 load imb.: force 17.2%  pme mesh/force 0.702
           Step           Time
      242075000   484150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16504e+03    1.93750e+04    1.32637e+04    1.18499e+03   -3.06152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79784e+03    9.33246e+04    3.99684e+05   -2.33236e+04   -2.97281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64565e+04   -2.44295e+06    4.80440e+05   -1.96251e+06    2.58389e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.06181e+02   -2.12865e+01    5.01828e-06


DD  step 242079999 load imb.: force 17.2%  pme mesh/force 0.760
           Step           Time
      242080000   484160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90904e+03    1.93293e+04    1.29963e+04    1.19774e+03   -3.04463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91425e+03    9.28795e+04    3.99878e+05   -2.33849e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64935e+04   -2.44771e+06    4.78729e+05   -1.96898e+06    2.58395e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.07263e+02   -8.03680e+00    5.10161e-06


DD  step 242084999 load imb.: force 16.7%  pme mesh/force 0.731
           Step           Time
      242085000   484170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93273e+03    1.91684e+04    1.30834e+04    1.20864e+03   -3.02591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94335e+03    9.27159e+04    4.00940e+05   -2.33810e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65686e+04   -2.44873e+06    4.77866e+05   -1.97086e+06    2.58400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09809e+02   -2.07195e+02    6.25664e+01    5.24486e-06


DD  step 242089999 load imb.: force 17.3%  pme mesh/force 0.717
           Step           Time
      242090000   484180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15211e+03    1.98328e+04    1.31407e+04    1.23055e+03   -3.03725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78645e+03    9.25639e+04    4.02707e+05   -2.34270e+04   -2.98065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62658e+04   -2.44844e+06    4.78929e+05   -1.96951e+06    2.58407e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10498e+02   -2.08010e+02    9.16149e+01    5.28024e-06


DD  step 242094999 load imb.: force 17.5%  pme mesh/force 0.704
           Step           Time
      242095000   484190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04604e+03    1.93366e+04    1.31534e+04    1.18688e+03   -2.96843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84575e+03    9.26041e+04    4.00594e+05   -2.34058e+04   -2.97405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62126e+04   -2.44445e+06    4.80077e+05   -1.96437e+06    2.58412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11242e+02   -2.07633e+02    2.02995e+01    5.19195e-06


DD  step 242099999 load imb.: force 17.6%  pme mesh/force 0.746
           Step           Time
      242100000   484200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94496e+03    1.93874e+04    1.28822e+04    1.21325e+03   -2.95817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87099e+03    9.27038e+04    4.01787e+05   -2.34116e+04   -2.98022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65191e+04   -2.44928e+06    4.79105e+05   -1.97018e+06    2.58418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10612e+02   -2.07737e+02    4.16967e+01    5.10251e-06


DD  step 242104999 load imb.: force 15.3%  pme mesh/force 0.693
           Step           Time
      242105000   484210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13627e+03    1.94536e+04    1.29501e+04    1.08785e+03   -2.96437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74263e+03    9.25545e+04    3.96890e+05   -2.33584e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63397e+04   -2.44801e+06    4.79706e+05   -1.96830e+06    2.58424e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11002e+02   -2.06794e+02   -1.59047e+02    5.14405e-06


DD  step 242109999 load imb.: force 16.8%  pme mesh/force 0.727
           Step           Time
      242110000   484220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02969e+03    1.94413e+04    1.28340e+04    1.17241e+03   -3.03039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85488e+03    9.27815e+04    3.99215e+05   -2.33573e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65252e+04   -2.44708e+06    4.78915e+05   -1.96817e+06    2.58430e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.06776e+02   -4.89784e+01    5.09661e-06


DD  step 242114999 load imb.: force 16.7%  pme mesh/force 0.696
           Step           Time
      242115000   484230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14399e+03    1.94332e+04    1.29924e+04    1.18550e+03   -3.04034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82729e+03    9.31254e+04    4.02223e+05   -2.34035e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63726e+04   -2.44709e+06    4.79589e+05   -1.96750e+06    2.58436e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10926e+02   -2.07593e+02    7.77853e+01    5.15698e-06


DD  step 242119999 load imb.: force 16.8%  pme mesh/force 0.690
           Step           Time
      242120000   484240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79789e+03    1.95116e+04    1.30992e+04    1.23569e+03   -3.09670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83004e+03    9.30188e+04    4.00454e+05   -2.33437e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62929e+04   -2.44949e+06    4.80707e+05   -1.96878e+06    2.58441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11651e+02   -2.06536e+02   -1.75249e+01    5.06148e-06


DD  step 242124999 load imb.: force 16.9%  pme mesh/force 0.750
           Step           Time
      242125000   484250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31979e+03    1.93372e+04    1.31326e+04    1.18690e+03   -3.03276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75736e+03    9.29119e+04    4.00683e+05   -2.33559e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63354e+04   -2.44513e+06    4.79855e+05   -1.96527e+06    2.58447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11099e+02   -2.06750e+02    5.76691e-01    5.31284e-06


DD  step 242129999 load imb.: force 14.9%  pme mesh/force 0.699
           Step           Time
      242130000   484260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10182e+03    1.91071e+04    1.31607e+04    1.20916e+03   -3.10715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85173e+03    9.28798e+04    4.00611e+05   -2.33749e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63380e+04   -2.44709e+06    4.76921e+05   -1.97017e+06    2.58453e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09196e+02   -2.07087e+02    1.79209e+01    5.10011e-06


DD  step 242134999 load imb.: force 16.1%  pme mesh/force 0.704
           Step           Time
      242135000   484270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64232e+03    1.97483e+04    1.30443e+04    1.23888e+03   -3.00045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87281e+03    9.29399e+04    4.01802e+05   -2.33879e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64087e+04   -2.44760e+06    4.81092e+05   -1.96651e+06    2.58458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11901e+02   -2.07316e+02    5.55593e+01    5.35654e-06


DD  step 242139999 load imb.: force 15.5%  pme mesh/force 0.676
           Step           Time
      242140000   484280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04904e+03    1.91252e+04    1.30680e+04    1.21549e+03   -3.05354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88099e+03    9.32229e+04    3.99390e+05   -2.33815e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63830e+04   -2.44933e+06    4.78662e+05   -1.97067e+06    2.58464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10325e+02   -2.07204e+02   -6.49758e+01    5.15771e-06


DD  step 242144999 load imb.: force 16.2%  pme mesh/force 0.719
           Step           Time
      242145000   484290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88919e+03    1.92757e+04    1.30890e+04    1.19566e+03   -3.01602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87552e+03    9.27467e+04    4.01940e+05   -2.33990e+04   -2.98134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61780e+04   -2.45056e+06    4.78853e+05   -1.97171e+06    2.58470e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.07512e+02    3.59856e+01    5.14623e-06


DD  step 242149999 load imb.: force 16.4%  pme mesh/force 0.692
           Step           Time
      242150000   484300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00866e+03    1.96326e+04    1.32306e+04    1.18114e+03   -3.05575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77226e+03    9.28965e+04    4.00013e+05   -2.34013e+04   -2.97532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66537e+04   -2.44538e+06    4.78574e+05   -1.96681e+06    2.58476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10268e+02   -2.07554e+02   -3.53060e+01    5.15840e-06


DD  step 242154999 load imb.: force 15.1%  pme mesh/force 0.704
           Step           Time
      242155000   484310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96043e+03    1.94242e+04    1.31227e+04    1.24108e+03   -2.91936e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92047e+03    9.25347e+04    3.99861e+05   -2.34015e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65426e+04   -2.44800e+06    4.79283e+05   -1.96872e+06    2.58481e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10728e+02   -2.07558e+02   -3.08105e+01    5.18754e-06


DD  step 242159999 load imb.: force 16.1%  pme mesh/force 0.692
           Step           Time
      242160000   484320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09795e+03    1.97446e+04    1.30463e+04    1.15774e+03   -3.06522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86765e+03    9.26544e+04    4.02136e+05   -2.33778e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63892e+04   -2.44453e+06    4.81158e+05   -1.96338e+06    2.58487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11943e+02   -2.07138e+02    8.99505e+01    5.33526e-06


DD  step 242164999 load imb.: force 18.6%  pme mesh/force 0.734
           Step           Time
      242165000   484330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13339e+03    1.93883e+04    1.32141e+04    1.16287e+03   -3.06297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86827e+03    9.25862e+04    4.01621e+05   -2.34156e+04   -2.97736e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64404e+04   -2.44643e+06    4.78404e+05   -1.96803e+06    2.58493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10158e+02   -2.07808e+02    9.14597e+01    5.17514e-06


DD  step 242169999 load imb.: force 16.1%  pme mesh/force 0.718
           Step           Time
      242170000   484340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97925e+03    1.99882e+04    1.33343e+04    1.17218e+03   -3.09282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76352e+03    9.23818e+04    4.01441e+05   -2.33719e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64602e+04   -2.44673e+06    4.80225e+05   -1.96650e+06    2.58498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11339e+02   -2.07034e+02    1.41962e+01    5.08384e-06


DD  step 242174999 load imb.: force 16.2%  pme mesh/force 0.713
           Step           Time
      242175000   484350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97677e+03    1.94479e+04    1.30539e+04    1.17568e+03   -3.12587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84808e+03    9.24726e+04    4.00272e+05   -2.33756e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63730e+04   -2.44841e+06    4.79831e+05   -1.96858e+06    2.58504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11083e+02   -2.07098e+02    1.08964e+01    5.09409e-06


DD  step 242179999 load imb.: force 17.9%  pme mesh/force 0.730
           Step           Time
      242180000   484360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06974e+03    1.91601e+04    1.31400e+04    1.13756e+03   -3.09429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86548e+03    9.26788e+04    3.98172e+05   -2.34385e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64667e+04   -2.44681e+06    4.78490e+05   -1.96832e+06    2.58510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10213e+02   -2.08214e+02   -3.47953e+01    5.17929e-06


DD  step 242184999 load imb.: force 17.9%  pme mesh/force 0.703
           Step           Time
      242185000   484370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97351e+03    1.94215e+04    1.31088e+04    1.15646e+03   -3.04962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95294e+03    9.30528e+04    4.03579e+05   -2.33697e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66708e+04   -2.44493e+06    4.80956e+05   -1.96398e+06    2.58516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11813e+02   -2.06994e+02    1.17474e+02    5.13047e-06


DD  step 242189999 load imb.: force 14.9%  pme mesh/force 0.711
           Step           Time
      242190000   484380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79511e+03    1.92110e+04    1.31988e+04    1.25747e+03   -3.07013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80019e+03    9.28865e+04    4.01380e+05   -2.34461e+04   -2.98048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62237e+04   -2.45024e+06    4.81103e+05   -1.96914e+06    2.58521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11907e+02   -2.08349e+02    1.12540e+01    4.97529e-06


DD  step 242194999 load imb.: force 15.7%  pme mesh/force 0.710
           Step           Time
      242195000   484390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22203e+03    1.92007e+04    1.33034e+04    1.16148e+03   -3.08169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79026e+03    9.22068e+04    3.99567e+05   -2.34006e+04   -2.97332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61426e+04   -2.44521e+06    4.80529e+05   -1.96468e+06    2.58526e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.07541e+02    1.33063e+01    5.03629e-06


DD  step 242199999 load imb.: force 14.8%  pme mesh/force 0.693
           Step           Time
      242200000   484400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99425e+03    1.95311e+04    1.28432e+04    1.17039e+03   -3.03675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90739e+03    9.22234e+04    4.00893e+05   -2.34185e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64175e+04   -2.44824e+06    4.76353e+05   -1.97188e+06    2.58533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08828e+02   -2.07859e+02    3.34422e+01    5.06208e-06


DD  step 242204999 load imb.: force 16.4%  pme mesh/force 0.704
           Step           Time
      242205000   484410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84301e+03    1.93912e+04    1.30226e+04    1.12894e+03   -2.93771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82767e+03    9.24636e+04    4.01011e+05   -2.33446e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66033e+04   -2.44661e+06    4.80925e+05   -1.96569e+06    2.58538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11792e+02   -2.06551e+02   -2.41154e+01    5.07740e-06


DD  step 242209999 load imb.: force 14.2%  pme mesh/force 0.691
           Step           Time
      242210000   484420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93390e+03    1.91383e+04    1.29479e+04    1.08612e+03   -2.95809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86071e+03    9.35270e+04    4.01900e+05   -2.33705e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63223e+04   -2.44944e+06    4.79216e+05   -1.97023e+06    2.58544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10685e+02   -2.07009e+02   -4.83119e+00    5.07493e-06


DD  step 242214999 load imb.: force 15.1%  pme mesh/force 0.694
           Step           Time
      242215000   484430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78296e+03    1.94283e+04    1.29402e+04    1.23915e+03   -2.93540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90767e+03    9.30182e+04    4.04081e+05   -2.33991e+04   -2.98305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64100e+04   -2.44958e+06    4.79224e+05   -1.97036e+06    2.58550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.07515e+02    1.03821e+02    5.22892e-06


DD  step 242219999 load imb.: force 14.6%  pme mesh/force 0.719
           Step           Time
      242220000   484440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20396e+03    1.98735e+04    1.31613e+04    1.14360e+03   -2.97882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71985e+03    9.23576e+04    3.99429e+05   -2.34203e+04   -2.97385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63980e+04   -2.44496e+06    4.80842e+05   -1.96412e+06    2.58555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11739e+02   -2.07891e+02    1.82448e+00    5.21674e-06


DD  step 242224999 load imb.: force 17.9%  pme mesh/force 0.729
           Step           Time
      242225000   484450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89713e+03    1.92191e+04    1.31894e+04    1.21959e+03   -3.01271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76890e+03    9.29750e+04    3.99329e+05   -2.33890e+04   -2.97804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63547e+04   -2.44949e+06    4.79280e+05   -1.97021e+06    2.58561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.07336e+02   -5.83033e+01    5.21211e-06


DD  step 242229999 load imb.: force 15.6%  pme mesh/force 0.692
           Step           Time
      242230000   484460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38963e+03    1.95331e+04    1.30725e+04    1.21853e+03   -2.97026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81747e+03    9.31145e+04    4.00921e+05   -2.33576e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66439e+04   -2.44436e+06    4.81757e+05   -1.96260e+06    2.58567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12332e+02   -2.06780e+02    1.15245e+01    5.02609e-06


DD  step 242234999 load imb.: force 14.8%  pme mesh/force 0.716
           Step           Time
      242235000   484470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80231e+03    1.91767e+04    1.30017e+04    1.15986e+03   -3.00215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87566e+03    9.28248e+04    3.99618e+05   -2.34602e+04   -2.97915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61822e+04   -2.45097e+06    4.78855e+05   -1.97212e+06    2.58572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10450e+02   -2.08599e+02    1.13212e+01    5.17089e-06


DD  step 242239999 load imb.: force 16.8%  pme mesh/force 0.744
           Step           Time
      242240000   484480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99583e+03    1.96529e+04    1.30652e+04    1.16065e+03   -3.03116e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81987e+03    9.29050e+04    3.98478e+05   -2.33958e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66001e+04   -2.44776e+06    4.80172e+05   -1.96759e+06    2.58579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11304e+02   -2.07456e+02   -5.43365e+01    5.17132e-06


DD  step 242244999 load imb.: force 14.7%  pme mesh/force 0.686
           Step           Time
      242245000   484490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15161e+03    1.95339e+04    1.31403e+04    1.17611e+03   -3.00069e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72804e+03    9.28052e+04    3.99489e+05   -2.33511e+04   -2.97260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66860e+04   -2.44324e+06    4.80387e+05   -1.96286e+06    2.58584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11444e+02   -2.06666e+02   -3.44215e+00    5.08793e-06


DD  step 242249999 load imb.: force 19.2%  pme mesh/force 0.717
           Step           Time
      242250000   484500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72711e+03    1.95472e+04    1.31067e+04    1.16532e+03   -3.13374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90025e+03    9.27027e+04    3.97102e+05   -2.33718e+04   -2.97333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64160e+04   -2.44717e+06    4.80392e+05   -1.96677e+06    2.58590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11447e+02   -2.07032e+02   -9.91954e+01    5.17474e-06


DD  step 242254999 load imb.: force 16.3%  pme mesh/force 0.723
           Step           Time
      242255000   484510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97584e+03    1.96368e+04    1.31677e+04    1.22292e+03   -3.00384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74729e+03    9.21579e+04    4.01112e+05   -2.34067e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64686e+04   -2.44992e+06    4.81154e+05   -1.96877e+06    2.58596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11941e+02   -2.07650e+02    1.41125e+01    5.16734e-06


DD  step 242259999 load imb.: force 15.0%  pme mesh/force 0.692
           Step           Time
      242260000   484520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94546e+03    1.92482e+04    1.29692e+04    1.18095e+03   -3.10152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75190e+03    9.28770e+04    4.01309e+05   -2.33860e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63918e+04   -2.44755e+06    4.80265e+05   -1.96729e+06    2.58601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11364e+02   -2.07283e+02    4.25514e+01    5.44394e-06


DD  step 242264999 load imb.: force 15.5%  pme mesh/force 0.712
           Step           Time
      242265000   484530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83737e+03    1.94293e+04    1.31367e+04    1.21659e+03   -3.08215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90484e+03    9.27302e+04    4.00399e+05   -2.33529e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67305e+04   -2.44625e+06    4.80974e+05   -1.96528e+06    2.58608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11824e+02   -2.06697e+02    6.30078e+00    5.09313e-06


DD  step 242269999 load imb.: force 16.1%  pme mesh/force 0.712
           Step           Time
      242270000   484540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75447e+03    1.94390e+04    1.32478e+04    1.13994e+03   -2.95824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87657e+03    9.26830e+04    4.03849e+05   -2.34064e+04   -2.97924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64608e+04   -2.44615e+06    4.79916e+05   -1.96624e+06    2.58613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.07644e+02    1.49350e+02    4.99729e-06


DD  step 242274999 load imb.: force 15.4%  pme mesh/force 0.689
           Step           Time
      242275000   484550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05879e+03    1.95720e+04    1.31994e+04    1.19859e+03   -3.16239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85342e+03    9.25974e+04    4.00857e+05   -2.34088e+04   -2.97764e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65348e+04   -2.44734e+06    4.82539e+05   -1.96480e+06    2.58619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12839e+02   -2.07688e+02    1.79215e+01    5.12845e-06


DD  step 242279999 load imb.: force 14.9%  pme mesh/force 0.694
           Step           Time
      242280000   484560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03011e+03    1.94298e+04    1.31207e+04    1.17775e+03   -3.06392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97341e+03    9.25585e+04    3.98014e+05   -2.33767e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66025e+04   -2.44623e+06    4.78748e+05   -1.96748e+06    2.58625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.07119e+02   -2.57949e+01    5.10896e-06


DD  step 242284999 load imb.: force 14.4%  pme mesh/force 0.710
           Step           Time
      242285000   484570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83071e+03    1.96253e+04    1.31372e+04    1.12099e+03   -2.94177e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82079e+03    9.26033e+04    3.95106e+05   -2.33791e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64735e+04   -2.45052e+06    4.79458e+05   -1.97106e+06    2.58631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10841e+02   -2.07161e+02   -1.55920e+02    5.06535e-06


DD  step 242289999 load imb.: force 16.4%  pme mesh/force 0.711
           Step           Time
      242290000   484580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15687e+03    1.96373e+04    1.30017e+04    1.09640e+03   -3.08678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72160e+03    9.31405e+04    3.98495e+05   -2.33406e+04   -2.97296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65569e+04   -2.44459e+06    4.78142e+05   -1.96644e+06    2.58637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09988e+02   -2.06481e+02   -7.44542e+01    5.11028e-06


DD  step 242294999 load imb.: force 14.4%  pme mesh/force 0.717
           Step           Time
      242295000   484590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03024e+03    1.92946e+04    1.30018e+04    1.19609e+03   -2.98986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76490e+03    9.24802e+04    3.97835e+05   -2.33739e+04   -2.97410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64275e+04   -2.44743e+06    4.77725e+05   -1.96971e+06    2.58643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09717e+02   -2.07069e+02   -1.12969e+02    5.19783e-06


DD  step 242299999 load imb.: force 15.4%  pme mesh/force 0.710
           Step           Time
      242300000   484600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27262e+03    1.93429e+04    1.31125e+04    1.22784e+03   -3.02109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68678e+03    9.26345e+04    3.97786e+05   -2.33925e+04   -2.97126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65388e+04   -2.44407e+06    4.82309e+05   -1.96176e+06    2.58648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12690e+02   -2.07398e+02   -7.74246e+01    5.16717e-06


DD  step 242304999 load imb.: force 15.0%  pme mesh/force 0.726
           Step           Time
      242305000   484610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92487e+03    1.94949e+04    1.28957e+04    1.13798e+03   -3.07595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82357e+03    9.29903e+04    3.99102e+05   -2.33723e+04   -2.97507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63674e+04   -2.44678e+06    4.79397e+05   -1.96739e+06    2.58654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10802e+02   -2.07041e+02   -5.41054e+01    5.19526e-06


DD  step 242309999 load imb.: force 14.4%  pme mesh/force 0.697
           Step           Time
      242310000   484620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91421e+03    1.97829e+04    1.31358e+04    1.19636e+03   -3.08766e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84512e+03    9.21228e+04    4.01341e+05   -2.33905e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64171e+04   -2.44663e+06    4.80095e+05   -1.96653e+06    2.58660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.07363e+02    4.87762e+01    5.15004e-06


DD  step 242314999 load imb.: force 14.8%  pme mesh/force 0.704
           Step           Time
      242315000   484630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97657e+03    1.93933e+04    1.29616e+04    1.23005e+03   -3.02569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82844e+03    9.24009e+04    3.95888e+05   -2.34068e+04   -2.96993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66766e+04   -2.44501e+06    4.79429e+05   -1.96558e+06    2.58666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10822e+02   -2.07651e+02   -9.29048e+01    5.09795e-06


DD  step 242319999 load imb.: force 15.9%  pme mesh/force 0.697
           Step           Time
      242320000   484640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95049e+03    1.91932e+04    1.29025e+04    1.16004e+03   -3.04649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83876e+03    9.28614e+04    4.01542e+05   -2.34149e+04   -2.98113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63673e+04   -2.45078e+06    4.77347e+05   -1.97343e+06    2.58671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09473e+02   -2.07794e+02   -3.96695e+01    5.06098e-06


DD  step 242324999 load imb.: force 14.7%  pme mesh/force 0.691
           Step           Time
      242325000   484650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93475e+03    1.96702e+04    1.32441e+04    1.17560e+03   -3.00179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94576e+03    9.22835e+04    3.95271e+05   -2.33425e+04   -2.96992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65972e+04   -2.44514e+06    4.82169e+05   -1.96297e+06    2.58677e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12599e+02   -2.06514e+02   -1.37105e+02    5.10705e-06


DD  step 242329999 load imb.: force 16.4%  pme mesh/force 0.696
           Step           Time
      242330000   484660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08946e+03    1.93506e+04    1.31213e+04    1.20263e+03   -3.00530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77432e+03    9.18682e+04    4.01372e+05   -2.33662e+04   -2.97975e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62106e+04   -2.45014e+06    4.81813e+05   -1.96832e+06    2.58682e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12368e+02   -2.06933e+02   -4.51172e+01    5.01802e-06


DD  step 242334999 load imb.: force 15.9%  pme mesh/force 0.719
           Step           Time
      242335000   484670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77484e+03    1.93191e+04    1.30109e+04    1.17708e+03   -2.99422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87794e+03    9.28163e+04    4.04431e+05   -2.34478e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62968e+04   -2.44756e+06    4.77894e+05   -1.96967e+06    2.58689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09827e+02   -2.08378e+02    1.48679e+02    5.14698e-06


DD  step 242339999 load imb.: force 15.9%  pme mesh/force 0.725
           Step           Time
      242340000   484680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80512e+03    1.95394e+04    1.30585e+04    1.13542e+03   -3.00548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91950e+03    9.22823e+04    3.98486e+05   -2.33870e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64065e+04   -2.44767e+06    4.78927e+05   -1.96874e+06    2.58695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.07302e+02   -1.20271e+01    5.04685e-06


DD  step 242344999 load imb.: force 17.2%  pme mesh/force 0.730
           Step           Time
      242345000   484690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98070e+03    1.96508e+04    1.29830e+04    1.19200e+03   -2.96352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77800e+03    9.27077e+04    4.02464e+05   -2.33806e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63128e+04   -2.44526e+06    4.80608e+05   -1.96465e+06    2.58700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.07187e+02    9.06480e+01    5.01947e-06


DD  step 242349999 load imb.: force 16.8%  pme mesh/force 0.721
           Step           Time
      242350000   484700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03416e+03    1.94440e+04    1.31822e+04    1.17653e+03   -2.98006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78761e+03    9.21493e+04    4.01721e+05   -2.33551e+04   -2.97985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62458e+04   -2.44945e+06    4.81017e+05   -1.96843e+06    2.58706e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11852e+02   -2.06737e+02   -5.21049e+00    4.96724e-06


DD  step 242354999 load imb.: force 15.4%  pme mesh/force 0.720
           Step           Time
      242355000   484710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26325e+03    1.95754e+04    1.29658e+04    1.14744e+03   -2.99910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80982e+03    9.22992e+04    3.99366e+05   -2.33196e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65923e+04   -2.44580e+06    4.79624e+05   -1.96618e+06    2.58712e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10949e+02   -2.06109e+02   -4.20835e+01    5.13372e-06


DD  step 242359999 load imb.: force 15.5%  pme mesh/force 0.696
           Step           Time
      242360000   484720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08461e+03    1.97275e+04    1.29179e+04    1.21409e+03   -3.02389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80336e+03    9.24582e+04    4.00343e+05   -2.33962e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65532e+04   -2.44676e+06    4.80082e+05   -1.96668e+06    2.58718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11245e+02   -2.07464e+02   -4.27559e+00    5.04346e-06


DD  step 242364999 load imb.: force 17.2%  pme mesh/force 0.709
           Step           Time
      242365000   484730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91463e+03    1.95265e+04    1.30380e+04    1.19866e+03   -3.02198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73579e+03    9.27030e+04    4.01651e+05   -2.34054e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65175e+04   -2.44802e+06    4.78444e+05   -1.96958e+06    2.58724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10184e+02   -2.07627e+02   -4.10464e+00    5.03072e-06


DD  step 242369999 load imb.: force 14.8%  pme mesh/force 0.715
           Step           Time
      242370000   484740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25746e+03    1.90102e+04    1.29229e+04    1.10621e+03   -3.03140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85276e+03    9.26028e+04    3.99524e+05   -2.33297e+04   -2.97597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64180e+04   -2.44763e+06    4.79566e+05   -1.96807e+06    2.58730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10911e+02   -2.06287e+02   -4.70201e+01    5.01826e-06


DD  step 242374999 load imb.: force 15.5%  pme mesh/force 0.679
           Step           Time
      242375000   484750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96967e+03    1.92959e+04    1.31545e+04    1.19563e+03   -3.14098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93300e+03    9.22056e+04    3.97931e+05   -2.33859e+04   -2.97374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62650e+04   -2.44732e+06    4.79638e+05   -1.96768e+06    2.58735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10958e+02   -2.07280e+02   -3.17220e+01    5.10437e-06


DD  step 242379999 load imb.: force 15.7%  pme mesh/force 0.735
           Step           Time
      242380000   484760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25150e+03    1.96598e+04    1.31619e+04    1.21074e+03   -3.15989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81813e+03    9.25745e+04    4.01057e+05   -2.33734e+04   -2.97554e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65220e+04   -2.44482e+06    4.81547e+05   -1.96328e+06    2.58741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12196e+02   -2.07060e+02    4.17230e+01    5.19300e-06


DD  step 242384999 load imb.: force 15.7%  pme mesh/force 0.726
           Step           Time
      242385000   484770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17835e+03    1.93023e+04    1.31012e+04    1.21092e+03   -3.09841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81889e+03    9.28356e+04    4.00124e+05   -2.33792e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63871e+04   -2.44771e+06    4.79550e+05   -1.96816e+06    2.58747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.07163e+02   -4.05696e+01    5.10397e-06


DD  step 242389999 load imb.: force 16.4%  pme mesh/force 0.689
           Step           Time
      242390000   484780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66424e+03    1.92264e+04    1.29598e+04    1.26538e+03   -2.99976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89381e+03    9.27572e+04    3.99545e+05   -2.33465e+04   -2.97319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64063e+04   -2.44482e+06    4.79696e+05   -1.96512e+06    2.58752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10995e+02   -2.06585e+02    5.12935e+00    5.14169e-06


DD  step 242394999 load imb.: force 17.5%  pme mesh/force 0.728
           Step           Time
      242395000   484790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16151e+03    1.95137e+04    1.30540e+04    1.22071e+03   -2.99719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72520e+03    9.20069e+04    4.01717e+05   -2.33852e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64537e+04   -2.44682e+06    4.78842e+05   -1.96797e+06    2.58758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.07269e+02   -1.44064e+01    5.13265e-06


DD  step 242399999 load imb.: force 14.8%  pme mesh/force 0.702
           Step           Time
      242400000   484800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10865e+03    1.97347e+04    1.28652e+04    1.14115e+03   -3.01768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84288e+03    9.20730e+04    4.03396e+05   -2.33896e+04   -2.98059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63507e+04   -2.44848e+06    4.78713e+05   -1.96977e+06    2.58764e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10358e+02   -2.07347e+02    3.50453e+01    4.92962e-06


DD  step 242404999 load imb.: force 14.0%  pme mesh/force 0.718
           Step           Time
      242405000   484810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80415e+03    1.96633e+04    1.28923e+04    1.19412e+03   -2.95062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82440e+03    9.22079e+04    4.03403e+05   -2.34069e+04   -2.98201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64248e+04   -2.44996e+06    4.78814e+05   -1.97114e+06    2.58770e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10424e+02   -2.07653e+02    7.65665e+01    4.94111e-06


DD  step 242409999 load imb.: force 16.6%  pme mesh/force 0.709
           Step           Time
      242410000   484820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21952e+03    1.96046e+04    1.31214e+04    1.17531e+03   -2.98303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73866e+03    9.22096e+04    4.01452e+05   -2.34189e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63843e+04   -2.44583e+06    4.79770e+05   -1.96606e+06    2.58776e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11044e+02   -2.07865e+02    4.06234e+01    5.14067e-06

Writing checkpoint, step 242410450 at Wed Nov  8 12:16:28 2023



DD  step 242414999 load imb.: force 15.5%  pme mesh/force 0.716
           Step           Time
      242415000   484830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82012e+03    1.94816e+04    1.29082e+04    1.12904e+03   -2.86532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78943e+03    9.25728e+04    3.99504e+05   -2.34056e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64704e+04   -2.44868e+06    4.79064e+05   -1.96962e+06    2.58781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.07630e+02    4.64105e+00    5.23278e-06


DD  step 242419999 load imb.: force 16.1%  pme mesh/force 0.696
           Step           Time
      242420000   484840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19145e+03    1.98923e+04    1.28881e+04    1.16441e+03   -2.86603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74806e+03    9.26713e+04    4.01462e+05   -2.33651e+04   -2.97445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63763e+04   -2.44329e+06    4.81197e+05   -1.96209e+06    2.58788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11969e+02   -2.06912e+02    3.95526e+01    5.11307e-06


DD  step 242424999 load imb.: force 15.9%  pme mesh/force 0.702
           Step           Time
      242425000   484850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89092e+03    1.92723e+04    1.31921e+04    1.18081e+03   -2.94026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77483e+03    9.33618e+04    3.99223e+05   -2.33681e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66532e+04   -2.44662e+06    4.78969e+05   -1.96765e+06    2.58793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10524e+02   -2.06967e+02   -5.14693e+01    5.14662e-06


DD  step 242429999 load imb.: force 16.9%  pme mesh/force 0.710
           Step           Time
      242430000   484860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98819e+03    1.93585e+04    1.31690e+04    1.17740e+03   -2.96524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79912e+03    9.24163e+04    3.99804e+05   -2.33893e+04   -2.97547e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63600e+04   -2.44675e+06    4.79091e+05   -1.96766e+06    2.58799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10603e+02   -2.07341e+02   -1.73637e+01    5.16236e-06


DD  step 242434999 load imb.: force 16.5%  pme mesh/force 0.728
           Step           Time
      242435000   484870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05343e+03    1.93665e+04    1.31932e+04    1.07359e+03   -2.97582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77787e+03    9.25161e+04    3.99711e+05   -2.33689e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63966e+04   -2.44760e+06    4.78940e+05   -1.96866e+06    2.58805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.06980e+02   -6.36174e+01    5.16836e-06


DD  step 242439999 load imb.: force 17.8%  pme mesh/force 0.714
           Step           Time
      242440000   484880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13042e+03    1.96732e+04    1.30892e+04    1.18116e+03   -2.98610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90601e+03    9.28004e+04    4.03390e+05   -2.33877e+04   -2.98090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65927e+04   -2.44751e+06    4.80716e+05   -1.96679e+06    2.58811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11657e+02   -2.07313e+02    9.57858e+01    5.09160e-06


DD  step 242444999 load imb.: force 15.0%  pme mesh/force 0.730
           Step           Time
      242445000   484890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36265e+03    1.95455e+04    1.30018e+04    1.22499e+03   -3.06187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72369e+03    9.21025e+04    3.99976e+05   -2.33517e+04   -2.97250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67098e+04   -2.44326e+06    4.79890e+05   -1.96337e+06    2.58816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11121e+02   -2.06677e+02   -2.34038e+01    5.03948e-06


DD  step 242449999 load imb.: force 15.8%  pme mesh/force 0.734
           Step           Time
      242450000   484900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06113e+03    1.93002e+04    1.30759e+04    1.11062e+03   -3.03491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91426e+03    9.23374e+04    4.02221e+05   -2.33951e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63117e+04   -2.44716e+06    4.79905e+05   -1.96726e+06    2.58822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.07444e+02    5.18346e+01    5.11199e-06


DD  step 242454999 load imb.: force 14.0%  pme mesh/force 0.702
           Step           Time
      242455000   484910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99090e+03    1.93224e+04    1.30370e+04    1.24269e+03   -2.91977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80511e+03    9.19172e+04    4.00416e+05   -2.34002e+04   -2.97489e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65072e+04   -2.44597e+06    4.78342e+05   -1.96762e+06    2.58828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10118e+02   -2.07535e+02   -1.37831e+01    5.14443e-06


DD  step 242459999 load imb.: force 14.8%  pme mesh/force 0.705
           Step           Time
      242460000   484920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77320e+03    1.91813e+04    1.32029e+04    1.22195e+03   -2.94152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01639e+03    9.24973e+04    3.98882e+05   -2.33690e+04   -2.97290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64832e+04   -2.44495e+06    4.81644e+05   -1.96331e+06    2.58833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12258e+02   -2.06982e+02   -2.22939e+01    5.07101e-06


DD  step 242464999 load imb.: force 14.6%  pme mesh/force 0.730
           Step           Time
      242465000   484930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96086e+03    1.95003e+04    1.31201e+04    1.13912e+03   -3.03021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95230e+03    9.25716e+04    3.98860e+05   -2.33588e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65213e+04   -2.44603e+06    4.81258e+05   -1.96477e+06    2.58839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12008e+02   -2.06801e+02    2.33434e+01    5.08008e-06


DD  step 242469999 load imb.: force 14.7%  pme mesh/force 0.730
           Step           Time
      242470000   484940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05845e+03    1.95038e+04    1.29853e+04    1.17338e+03   -3.02270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77973e+03    9.21612e+04    4.01529e+05   -2.33589e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62924e+04   -2.44873e+06    4.80886e+05   -1.96785e+06    2.58845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.06804e+02   -8.79901e+00    5.31610e-06


DD  step 242474999 load imb.: force 15.3%  pme mesh/force 0.712
           Step           Time
      242475000   484950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87456e+03    1.95947e+04    1.33200e+04    1.19882e+03   -2.99573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84904e+03    9.26194e+04    3.97644e+05   -2.33720e+04   -2.97420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64782e+04   -2.44699e+06    4.78379e+05   -1.96861e+06    2.58851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10141e+02   -2.07036e+02   -6.86122e+01    4.92195e-06


DD  step 242479999 load imb.: force 18.0%  pme mesh/force 0.760
           Step           Time
      242480000   484960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06789e+03    1.91279e+04    1.31052e+04    1.21228e+03   -3.07666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83298e+03    9.27685e+04    4.04083e+05   -2.34066e+04   -2.98238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64748e+04   -2.44919e+06    4.78992e+05   -1.97020e+06    2.58857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10539e+02   -2.07648e+02    6.77514e+01    4.95106e-06


DD  step 242484999 load imb.: force 17.2%  pme mesh/force 0.728
           Step           Time
      242485000   484970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92971e+03    1.92013e+04    1.31432e+04    1.16344e+03   -3.02519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80657e+03    9.28716e+04    4.02100e+05   -2.33722e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66626e+04   -2.44622e+06    4.80127e+05   -1.96609e+06    2.58862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.07038e+02    7.80099e+01    5.04268e-06


DD  step 242489999 load imb.: force 15.0%  pme mesh/force 0.731
           Step           Time
      242490000   484980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98320e+03    1.97597e+04    1.33112e+04    1.15751e+03   -3.07596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76277e+03    9.22688e+04    4.03524e+05   -2.33712e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64413e+04   -2.44624e+06    4.78414e+05   -1.96783e+06    2.58868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10164e+02   -2.07020e+02    9.20858e+01    5.18902e-06


DD  step 242494999 load imb.: force 14.7%  pme mesh/force 0.698
           Step           Time
      242495000   484990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04386e+03    1.96683e+04    1.31100e+04    1.21695e+03   -3.02662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76515e+03    9.24238e+04    3.99191e+05   -2.33816e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65015e+04   -2.44809e+06    4.80653e+05   -1.96744e+06    2.58874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11616e+02   -2.07205e+02   -4.14992e+01    5.02718e-06


DD  step 242499999 load imb.: force 17.4%  pme mesh/force 0.736
           Step           Time
      242500000   485000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94486e+03    1.94527e+04    1.31332e+04    1.23582e+03   -3.09088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83097e+03    9.24840e+04    3.98464e+05   -2.34060e+04   -2.97517e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65476e+04   -2.44757e+06    4.80140e+05   -1.96743e+06    2.58880e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11283e+02   -2.07638e+02   -1.16063e+01    5.02694e-06


DD  step 242504999 load imb.: force 15.5%  pme mesh/force 0.731
           Step           Time
      242505000   485010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01992e+03    1.92210e+04    1.31014e+04    1.22452e+03   -3.00969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89050e+03    9.29433e+04    3.99685e+05   -2.34023e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64801e+04   -2.44856e+06    4.78347e+05   -1.97021e+06    2.58885e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10121e+02   -2.07571e+02   -2.59975e+01    5.06764e-06


DD  step 242509999 load imb.: force 17.9%  pme mesh/force 0.692
           Step           Time
      242510000   485020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15046e+03    1.94979e+04    1.31286e+04    1.19228e+03   -3.08536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77245e+03    9.25404e+04    4.00815e+05   -2.33760e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64284e+04   -2.44801e+06    4.81250e+05   -1.96676e+06    2.58891e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12003e+02   -2.07105e+02   -2.88534e+01    5.35975e-06


DD  step 242514999 load imb.: force 16.0%  pme mesh/force 0.692
           Step           Time
      242515000   485030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05422e+03    1.95220e+04    1.31049e+04    1.18264e+03   -3.02733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76609e+03    9.23936e+04    4.00499e+05   -2.34225e+04   -2.97733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63459e+04   -2.44791e+06    4.80526e+05   -1.96738e+06    2.58897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11534e+02   -2.07930e+02   -1.69361e+01    5.27764e-06


DD  step 242519999 load imb.: force 16.2%  pme mesh/force 0.730
           Step           Time
      242520000   485040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12211e+03    1.97996e+04    1.30361e+04    1.13317e+03   -3.04935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83002e+03    9.29916e+04    4.02851e+05   -2.33636e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63785e+04   -2.44493e+06    4.78743e+05   -1.96619e+06    2.58902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10378e+02   -2.06887e+02    1.21753e+02    5.20927e-06


DD  step 242524999 load imb.: force 15.5%  pme mesh/force 0.697
           Step           Time
      242525000   485050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12946e+03    1.96646e+04    1.32445e+04    1.14976e+03   -3.09472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75517e+03    9.23180e+04    4.01032e+05   -2.33761e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67489e+04   -2.44623e+06    4.80521e+05   -1.96570e+06    2.58908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.07107e+02    1.70483e+01    5.26962e-06


DD  step 242529999 load imb.: force 13.7%  pme mesh/force 0.693
           Step           Time
      242530000   485060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08538e+03    1.96233e+04    1.31137e+04    1.17513e+03   -3.07945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79421e+03    9.25859e+04    3.98622e+05   -2.33608e+04   -2.97441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64357e+04   -2.44641e+06    4.80481e+05   -1.96593e+06    2.58914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11505e+02   -2.06837e+02   -5.43668e+01    5.08959e-06


DD  step 242534999 load imb.: force 16.4%  pme mesh/force 0.706
           Step           Time
      242535000   485070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82537e+03    1.94142e+04    1.30456e+04    1.09120e+03   -3.01824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87437e+03    9.27509e+04    4.02127e+05   -2.34241e+04   -2.97972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64354e+04   -2.44860e+06    4.80606e+05   -1.96800e+06    2.58920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11585e+02   -2.07959e+02    6.82644e+01    5.18976e-06


DD  step 242539999 load imb.: force 16.6%  pme mesh/force 0.705
           Step           Time
      242540000   485080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13558e+03    1.93303e+04    1.32359e+04    1.21056e+03   -3.01497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93938e+03    9.21411e+04    4.02395e+05   -2.34035e+04   -2.97936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64229e+04   -2.44797e+06    4.80035e+05   -1.96794e+06    2.58926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11215e+02   -2.07593e+02    9.77422e+01    5.15740e-06


DD  step 242544999 load imb.: force 14.7%  pme mesh/force 0.710
           Step           Time
      242545000   485090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13165e+03    1.95052e+04    1.31543e+04    1.12429e+03   -2.95539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81848e+03    9.26309e+04    3.98701e+05   -2.33707e+04   -2.97339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65854e+04   -2.44507e+06    4.80837e+05   -1.96423e+06    2.58931e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11735e+02   -2.07012e+02   -1.06026e+02    5.01386e-06


DD  step 242549999 load imb.: force 17.7%  pme mesh/force 0.754
           Step           Time
      242550000   485100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12532e+03    1.96502e+04    1.30179e+04    1.16350e+03   -3.02179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75751e+03    9.23385e+04    4.00934e+05   -2.33914e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66244e+04   -2.44811e+06    4.80885e+05   -1.96723e+06    2.58937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11766e+02   -2.07379e+02    1.23660e+01    5.09042e-06


DD  step 242554999 load imb.: force 16.9%  pme mesh/force 0.701
           Step           Time
      242555000   485110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87260e+03    1.93120e+04    1.29877e+04    1.19927e+03   -3.04955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76528e+03    9.22749e+04    4.01873e+05   -2.34206e+04   -2.97980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64344e+04   -2.44955e+06    4.77562e+05   -1.97199e+06    2.58943e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09612e+02   -2.07896e+02    2.40535e+01    5.11854e-06


DD  step 242559999 load imb.: force 16.1%  pme mesh/force 0.723
           Step           Time
      242560000   485120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02135e+03    1.96211e+04    1.30471e+04    1.16795e+03   -2.98255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84217e+03    9.21997e+04    4.03917e+05   -2.34147e+04   -2.98099e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64848e+04   -2.44809e+06    4.77083e+05   -1.97101e+06    2.58949e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09302e+02   -2.07792e+02    6.63014e+01    4.92763e-06


DD  step 242564999 load imb.: force 16.0%  pme mesh/force 0.717
           Step           Time
      242565000   485130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94289e+03    1.91804e+04    1.30609e+04    1.15129e+03   -2.95199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95051e+03    9.26250e+04    3.97454e+05   -2.33989e+04   -2.97377e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63925e+04   -2.44736e+06    4.78961e+05   -1.96840e+06    2.58954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10519e+02   -2.07511e+02   -2.35796e+01    5.12206e-06


DD  step 242569999 load imb.: force 13.7%  pme mesh/force 0.716
           Step           Time
      242570000   485140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.40141e+03    1.96958e+04    1.30310e+04    1.25900e+03   -3.02086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74101e+03    9.23065e+04    4.02509e+05   -2.33928e+04   -2.97838e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64648e+04   -2.44639e+06    4.82600e+05   -1.96379e+06    2.58961e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12878e+02   -2.07403e+02    7.03227e+00    5.05664e-06


DD  step 242574999 load imb.: force 17.8%  pme mesh/force 0.744
           Step           Time
      242575000   485150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14299e+03    1.94219e+04    1.31861e+04    1.21387e+03   -2.94282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82942e+03    9.26320e+04    4.01340e+05   -2.33787e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65195e+04   -2.44582e+06    4.78773e+05   -1.96705e+06    2.58966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10397e+02   -2.07153e+02    3.48837e+01    5.07408e-06


DD  step 242579999 load imb.: force 14.8%  pme mesh/force 0.703
           Step           Time
      242580000   485160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07192e+03    1.97312e+04    1.31333e+04    1.21919e+03   -3.07024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82122e+03    9.27537e+04    3.99040e+05   -2.33583e+04   -2.97210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65990e+04   -2.44316e+06    4.79942e+05   -1.96322e+06    2.58972e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.06792e+02   -1.56141e+01    4.87955e-06


DD  step 242584999 load imb.: force 16.6%  pme mesh/force 0.724
           Step           Time
      242585000   485170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91713e+03    1.94921e+04    1.31500e+04    1.24706e+03   -3.08156e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92262e+03    9.23939e+04    4.00416e+05   -2.34259e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65809e+04   -2.44847e+06    4.80678e+05   -1.96779e+06    2.58978e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11632e+02   -2.07990e+02    5.21107e+01    4.98169e-06


DD  step 242589999 load imb.: force 15.1%  pme mesh/force 0.726
           Step           Time
      242590000   485180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98796e+03    1.88906e+04    1.30854e+04    1.10404e+03   -3.05561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66943e+03    9.28802e+04    4.01643e+05   -2.34077e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63978e+04   -2.44920e+06    4.77397e+05   -1.97181e+06    2.58984e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09505e+02   -2.07667e+02   -1.51086e+01    5.11079e-06


DD  step 242594999 load imb.: force 14.0%  pme mesh/force 0.704
           Step           Time
      242595000   485190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98066e+03    1.93239e+04    1.31505e+04    1.14568e+03   -3.07048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79026e+03    9.25883e+04    4.04819e+05   -2.33853e+04   -2.98095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67658e+04   -2.44684e+06    4.79250e+05   -1.96759e+06    2.58989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10706e+02   -2.07270e+02    1.14846e+02    5.09234e-06


DD  step 242599999 load imb.: force 16.1%  pme mesh/force 0.733
           Step           Time
      242600000   485200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06569e+03    1.94714e+04    1.30869e+04    1.23668e+03   -3.03379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87947e+03    9.25984e+04    4.00407e+05   -2.34211e+04   -2.97751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64914e+04   -2.44773e+06    4.79633e+05   -1.96809e+06    2.58995e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10955e+02   -2.07904e+02    2.33630e+01    5.13150e-06


DD  step 242604999 load imb.: force 16.0%  pme mesh/force 0.714
           Step           Time
      242605000   485210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98001e+03    1.95991e+04    1.29361e+04    1.17360e+03   -2.99815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79310e+03    9.23852e+04    3.97896e+05   -2.34014e+04   -2.97352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63406e+04   -2.44681e+06    4.79069e+05   -1.96774e+06    2.59000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10589e+02   -2.07556e+02   -8.77807e+01    4.98404e-06


DD  step 242609999 load imb.: force 15.4%  pme mesh/force 0.724
           Step           Time
      242610000   485220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88351e+03    1.95909e+04    1.30952e+04    1.21711e+03   -3.04493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83818e+03    9.25165e+04    3.99032e+05   -2.33614e+04   -2.97528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65621e+04   -2.44696e+06    4.80382e+05   -1.96657e+06    2.59006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11441e+02   -2.06848e+02   -1.33976e+01    4.98502e-06


DD  step 242614999 load imb.: force 14.8%  pme mesh/force 0.712
           Step           Time
      242615000   485230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06150e+03    1.94441e+04    1.31497e+04    1.12057e+03   -3.07378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79565e+03    9.25418e+04    3.94849e+05   -2.33440e+04   -2.96663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65995e+04   -2.44248e+06    4.80671e+05   -1.96181e+06    2.59012e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11628e+02   -2.06539e+02   -1.31382e+02    5.16741e-06


DD  step 242619999 load imb.: force 16.6%  pme mesh/force 0.737
           Step           Time
      242620000   485240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79947e+03    1.89869e+04    1.30501e+04    1.23373e+03   -2.91547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00261e+03    9.27799e+04    3.99324e+05   -2.34289e+04   -2.97539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65258e+04   -2.44703e+06    4.78573e+05   -1.96846e+06    2.59018e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10268e+02   -2.08043e+02    4.34977e+01    5.02345e-06


DD  step 242624999 load imb.: force 15.5%  pme mesh/force 0.711
           Step           Time
      242625000   485250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90577e+03    1.96738e+04    1.29531e+04    1.19443e+03   -2.90873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95969e+03    9.24354e+04    4.00027e+05   -2.33689e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63897e+04   -2.44898e+06    4.81517e+05   -1.96746e+06    2.59024e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12176e+02   -2.06981e+02    1.63801e+01    5.09864e-06


DD  step 242629999 load imb.: force 14.3%  pme mesh/force 0.708
           Step           Time
      242630000   485260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28343e+03    1.93157e+04    1.30319e+04    1.26682e+03   -2.97596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78401e+03    9.23934e+04    4.00423e+05   -2.33478e+04   -2.97531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64907e+04   -2.44564e+06    4.78723e+05   -1.96692e+06    2.59030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10364e+02   -2.06607e+02   -2.44144e+01    4.96612e-06


DD  step 242634999 load imb.: force 14.3%  pme mesh/force 0.734
           Step           Time
      242635000   485270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04710e+03    1.92380e+04    1.30534e+04    1.21133e+03   -2.89536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70949e+03    9.24507e+04    4.02520e+05   -2.33322e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65356e+04   -2.44710e+06    4.81440e+05   -1.96566e+06    2.59035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12126e+02   -2.06331e+02   -1.56176e+01    4.93668e-06


DD  step 242639999 load imb.: force 15.2%  pme mesh/force 0.735
           Step           Time
      242640000   485280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78012e+03    1.94321e+04    1.29671e+04    1.18671e+03   -2.85867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88504e+03    9.25945e+04    3.99315e+05   -2.33847e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64651e+04   -2.44823e+06    4.80133e+05   -1.96810e+06    2.59041e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11279e+02   -2.07260e+02   -3.98408e+01    4.98738e-06


DD  step 242644999 load imb.: force 16.0%  pme mesh/force 0.737
           Step           Time
      242645000   485290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92023e+03    1.96395e+04    1.31561e+04    1.17626e+03   -3.10144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82388e+03    9.29705e+04    3.98424e+05   -2.34092e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62459e+04   -2.44847e+06    4.78109e+05   -1.97036e+06    2.59047e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.07695e+02   -3.64667e+01    4.95659e-06


DD  step 242649999 load imb.: force 15.0%  pme mesh/force 0.712
           Step           Time
      242650000   485300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11703e+03    1.95250e+04    1.33175e+04    1.18063e+03   -3.09574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82774e+03    9.19079e+04    4.00926e+05   -2.33730e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65134e+04   -2.44801e+06    4.77778e+05   -1.97023e+06    2.59053e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09752e+02   -2.07053e+02   -1.26803e+01    4.92914e-06


DD  step 242654999 load imb.: force 15.9%  pme mesh/force 0.736
           Step           Time
      242655000   485310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22949e+03    1.92142e+04    1.31175e+04    1.16226e+03   -2.95078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84059e+03    9.26038e+04    4.01772e+05   -2.33634e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64218e+04   -2.44639e+06    4.80997e+05   -1.96540e+06    2.59059e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11839e+02   -2.06884e+02   -5.48999e+00    5.22522e-06


DD  step 242659999 load imb.: force 14.8%  pme mesh/force 0.698
           Step           Time
      242660000   485320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82538e+03    1.95124e+04    1.31294e+04    1.19117e+03   -2.99530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78017e+03    9.26079e+04    3.99127e+05   -2.33829e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63114e+04   -2.44625e+06    4.81641e+05   -1.96461e+06    2.59064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12257e+02   -2.07228e+02   -2.87951e+01    4.99659e-06


DD  step 242664999 load imb.: force 14.3%  pme mesh/force 0.724
           Step           Time
      242665000   485330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04507e+03    1.94678e+04    1.30298e+04    1.16681e+03   -2.96154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82127e+03    9.24313e+04    4.01014e+05   -2.33818e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63154e+04   -2.44516e+06    4.79999e+05   -1.96516e+06    2.59070e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11192e+02   -2.07209e+02    3.43953e+01    5.06100e-06


DD  step 242669999 load imb.: force 13.9%  pme mesh/force 0.726
           Step           Time
      242670000   485340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96640e+03    1.93935e+04    1.30057e+04    1.18896e+03   -3.05495e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86780e+03    9.29538e+04    4.02398e+05   -2.34475e+04   -2.98154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65932e+04   -2.44968e+06    4.78969e+05   -1.97071e+06    2.59077e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10524e+02   -2.08373e+02    1.19638e+02    5.07635e-06


DD  step 242674999 load imb.: force 15.0%  pme mesh/force 0.704
           Step           Time
      242675000   485350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15450e+03    1.95608e+04    1.30267e+04    1.20652e+03   -2.93353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83735e+03    9.28756e+04    4.00272e+05   -2.34149e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62598e+04   -2.44685e+06    4.79452e+05   -1.96740e+06    2.59082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.07794e+02   -2.28321e+01    5.03706e-06


DD  step 242679999 load imb.: force 14.4%  pme mesh/force 0.705
           Step           Time
      242680000   485360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94918e+03    1.93955e+04    1.28682e+04    1.14125e+03   -2.89528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87154e+03    9.24779e+04    4.00031e+05   -2.34186e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63864e+04   -2.45018e+06    4.76942e+05   -1.97324e+06    2.59088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09210e+02   -2.07860e+02   -3.12874e+00    5.05884e-06


DD  step 242684999 load imb.: force 14.2%  pme mesh/force 0.719
           Step           Time
      242685000   485370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83273e+03    1.92624e+04    1.29460e+04    1.23626e+03   -2.95075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84645e+03    9.28757e+04    4.01375e+05   -2.33836e+04   -2.97968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63801e+04   -2.44926e+06    4.80239e+05   -1.96902e+06    2.59093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11348e+02   -2.07240e+02    2.81911e+01    5.15752e-06


DD  step 242689999 load imb.: force 16.1%  pme mesh/force 0.754
           Step           Time
      242690000   485380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90709e+03    1.95902e+04    1.29826e+04    1.23034e+03   -2.96146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89444e+03    9.29025e+04    3.98561e+05   -2.33548e+04   -2.97448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65301e+04   -2.44619e+06    4.80888e+05   -1.96531e+06    2.59100e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11768e+02   -2.06732e+02   -5.85910e+01    5.06457e-06


DD  step 242694999 load imb.: force 16.4%  pme mesh/force 0.753
           Step           Time
      242695000   485390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90623e+03    1.95215e+04    1.31006e+04    1.15240e+03   -3.10677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77144e+03    9.25916e+04    4.01069e+05   -2.34012e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67172e+04   -2.44549e+06    4.79449e+05   -1.96604e+06    2.59105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10835e+02   -2.07552e+02    2.13680e+01    5.09626e-06


DD  step 242699999 load imb.: force 15.8%  pme mesh/force 0.717
           Step           Time
      242700000   485400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91660e+03    1.93882e+04    1.30882e+04    1.19521e+03   -2.95985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85279e+03    9.30371e+04    4.00719e+05   -2.33620e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65992e+04   -2.44486e+06    4.80192e+05   -1.96467e+06    2.59111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11317e+02   -2.06859e+02    6.22733e+01    5.12818e-06


DD  step 242704999 load imb.: force 16.0%  pme mesh/force 0.729
           Step           Time
      242705000   485410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08686e+03    1.93329e+04    1.29326e+04    1.16196e+03   -2.99266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85952e+03    9.30005e+04    4.02765e+05   -2.34276e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64937e+04   -2.44738e+06    4.80057e+05   -1.96733e+06    2.59117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11229e+02   -2.08021e+02    1.20293e+02    5.30649e-06


DD  step 242709999 load imb.: force 15.4%  pme mesh/force 0.701
           Step           Time
      242710000   485420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02666e+03    1.92524e+04    1.29973e+04    1.18706e+03   -2.93087e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82963e+03    9.24760e+04    3.99860e+05   -2.33625e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65369e+04   -2.44636e+06    4.79492e+05   -1.96687e+06    2.59123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10863e+02   -2.06868e+02   -4.34384e+01    5.17335e-06


DD  step 242714999 load imb.: force 17.2%  pme mesh/force 0.735
           Step           Time
      242715000   485430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12108e+03    1.97084e+04    1.31577e+04    1.22920e+03   -2.97066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81030e+03    9.26714e+04    4.01426e+05   -2.34040e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66275e+04   -2.44616e+06    4.83476e+05   -1.96268e+06    2.59128e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13446e+02   -2.07602e+02    3.87794e+01    5.06272e-06


DD  step 242719999 load imb.: force 16.7%  pme mesh/force 0.711
           Step           Time
      242720000   485440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06142e+03    1.97337e+04    1.29047e+04    1.19206e+03   -2.78555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83952e+03    9.24120e+04    4.00652e+05   -2.33784e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65165e+04   -2.44739e+06    4.82065e+05   -1.96533e+06    2.59134e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12531e+02   -2.07149e+02    1.86255e+01    5.09448e-06


DD  step 242724999 load imb.: force 14.8%  pme mesh/force 0.701
           Step           Time
      242725000   485450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97618e+03    1.94400e+04    1.31488e+04    1.20374e+03   -3.02157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81929e+03    9.25139e+04    4.03365e+05   -2.33595e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65487e+04   -2.44693e+06    4.80465e+05   -1.96647e+06    2.59140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11494e+02   -2.06814e+02    4.47700e+01    5.08628e-06


DD  step 242729999 load imb.: force 14.7%  pme mesh/force 0.716
           Step           Time
      242730000   485460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77940e+03    1.96560e+04    1.31741e+04    1.22027e+03   -2.94758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90720e+03    9.20303e+04    4.04113e+05   -2.33886e+04   -2.98085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65714e+04   -2.44774e+06    4.78607e+05   -1.96913e+06    2.59146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10289e+02   -2.07329e+02    1.20028e+02    5.10610e-06


DD  step 242734999 load imb.: force 17.6%  pme mesh/force 0.772
           Step           Time
      242735000   485470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84253e+03    1.93690e+04    1.32242e+04    1.24278e+03   -2.95095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.08667e+03    9.24644e+04    3.97901e+05   -2.34011e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66055e+04   -2.44605e+06    4.80626e+05   -1.96543e+06    2.59151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11598e+02   -2.07551e+02    7.32764e+00    5.20395e-06


DD  step 242739999 load imb.: force 17.1%  pme mesh/force 0.735
           Step           Time
      242740000   485480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95053e+03    1.94948e+04    1.30736e+04    1.16256e+03   -3.00485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84163e+03    9.23561e+04    4.00807e+05   -2.33917e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64876e+04   -2.44844e+06    4.78100e+05   -1.97034e+06    2.59157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09961e+02   -2.07383e+02    3.27584e+01    5.22021e-06


DD  step 242744999 load imb.: force 17.0%  pme mesh/force 0.741
           Step           Time
      242745000   485490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94772e+03    1.93726e+04    1.30519e+04    1.14442e+03   -2.93462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83450e+03    9.25777e+04    4.01225e+05   -2.33488e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65150e+04   -2.44502e+06    4.80119e+05   -1.96491e+06    2.59163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.06625e+02    1.91651e+01    5.18842e-06


DD  step 242749999 load imb.: force 14.6%  pme mesh/force 0.707
           Step           Time
      242750000   485500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25557e+03    1.93150e+04    1.34175e+04    1.18511e+03   -2.98521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80877e+03    9.21582e+04    3.97613e+05   -2.33721e+04   -2.97343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63106e+04   -2.44672e+06    4.81682e+05   -1.96504e+06    2.59168e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12283e+02   -2.07037e+02   -1.01774e+02    5.14323e-06

Writing checkpoint, step 242750500 at Wed Nov  8 12:31:28 2023



DD  step 242754999 load imb.: force 15.0%  pme mesh/force 0.715
           Step           Time
      242755000   485510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99965e+03    1.92175e+04    1.30566e+04    1.16005e+03   -3.00588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89737e+03    9.21406e+04    3.98217e+05   -2.33498e+04   -2.97325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66955e+04   -2.44622e+06    4.79659e+05   -1.96657e+06    2.59174e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.06642e+02   -7.44643e+01    4.99461e-06


DD  step 242759999 load imb.: force 13.1%  pme mesh/force 0.689
           Step           Time
      242760000   485520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14719e+03    1.94070e+04    1.31119e+04    1.22545e+03   -2.98511e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79679e+03    9.24731e+04    3.99613e+05   -2.33855e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65027e+04   -2.44670e+06    4.80612e+05   -1.96609e+06    2.59180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11589e+02   -2.07274e+02   -2.53542e+01    5.06124e-06


DD  step 242764999 load imb.: force 16.0%  pme mesh/force 0.701
           Step           Time
      242765000   485530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72324e+03    1.92401e+04    1.29088e+04    1.12231e+03   -2.98524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91748e+03    9.27025e+04    4.00978e+05   -2.33987e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63086e+04   -2.44644e+06    4.76882e+05   -1.96956e+06    2.59186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09171e+02   -2.07508e+02    7.55495e+01    5.12854e-06


DD  step 242769999 load imb.: force 14.5%  pme mesh/force 0.683
           Step           Time
      242770000   485540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79841e+03    1.92514e+04    1.30759e+04    1.15985e+03   -3.08559e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78190e+03    9.28304e+04    3.98608e+05   -2.34159e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63427e+04   -2.44754e+06    4.79400e+05   -1.96814e+06    2.59191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10803e+02   -2.07814e+02   -3.91395e+01    5.20134e-06


DD  step 242774999 load imb.: force 15.6%  pme mesh/force 0.692
           Step           Time
      242775000   485550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01180e+03    1.97022e+04    1.28498e+04    1.20520e+03   -3.02701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90969e+03    9.21196e+04    3.99653e+05   -2.34152e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62255e+04   -2.44989e+06    4.79038e+05   -1.97085e+06    2.59198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10569e+02   -2.07800e+02   -1.84969e+01    4.94516e-06


DD  step 242779999 load imb.: force 15.5%  pme mesh/force 0.739
           Step           Time
      242780000   485560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04990e+03    1.92160e+04    1.29810e+04    1.23519e+03   -3.04646e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79663e+03    9.26463e+04    4.01350e+05   -2.33845e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66068e+04   -2.44766e+06    4.80792e+05   -1.96687e+06    2.59203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11706e+02   -2.07257e+02    5.10314e+01    5.06093e-06


DD  step 242784999 load imb.: force 15.1%  pme mesh/force 0.745
           Step           Time
      242785000   485570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16892e+03    1.94403e+04    1.30798e+04    1.15210e+03   -3.02264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93099e+03    9.27698e+04    4.01426e+05   -2.33731e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64485e+04   -2.44581e+06    4.81612e+05   -1.96420e+06    2.59209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12238e+02   -2.07054e+02    2.36103e+01    5.17753e-06


DD  step 242789999 load imb.: force 14.9%  pme mesh/force 0.720
           Step           Time
      242790000   485580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95310e+03    1.96934e+04    1.33763e+04    1.16761e+03   -3.12299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66895e+03    9.22297e+04    4.00711e+05   -2.33677e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65245e+04   -2.44704e+06    4.77818e+05   -1.96922e+06    2.59215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09778e+02   -2.06958e+02    3.17450e+00    5.06049e-06


DD  step 242794999 load imb.: force 14.3%  pme mesh/force 0.720
           Step           Time
      242795000   485590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03004e+03    1.94812e+04    1.30505e+04    1.18243e+03   -2.97663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83517e+03    9.25669e+04    3.99337e+05   -2.33753e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64662e+04   -2.44676e+06    4.80540e+05   -1.96622e+06    2.59221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.07093e+02   -4.84552e+01    4.93055e-06


DD  step 242799999 load imb.: force 13.9%  pme mesh/force 0.695
           Step           Time
      242800000   485600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24434e+03    1.91436e+04    1.30324e+04    1.19154e+03   -2.92822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82137e+03    9.28087e+04    4.00430e+05   -2.33615e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61124e+04   -2.44816e+06    4.78204e+05   -1.96996e+06    2.59227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10028e+02   -2.06849e+02   -2.71176e+01    5.06733e-06


DD  step 242804999 load imb.: force 14.5%  pme mesh/force 0.699
           Step           Time
      242805000   485610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91058e+03    1.95092e+04    1.30678e+04    1.09417e+03   -3.02361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84218e+03    9.28191e+04    3.99829e+05   -2.34073e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65246e+04   -2.44894e+06    4.80522e+05   -1.96841e+06    2.59232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11531e+02   -2.07660e+02   -1.58667e+01    5.12616e-06


DD  step 242809999 load imb.: force 15.4%  pme mesh/force 0.708
           Step           Time
      242810000   485620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86242e+03    1.92265e+04    1.31428e+04    1.11199e+03   -3.04267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96582e+03    9.29195e+04    4.02278e+05   -2.33991e+04   -2.98023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65346e+04   -2.44863e+06    4.79874e+05   -1.96875e+06    2.59238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.07514e+02    3.39743e+01    5.14319e-06


DD  step 242814999 load imb.: force 14.9%  pme mesh/force 0.736
           Step           Time
      242815000   485630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98931e+03    1.98065e+04    1.30077e+04    1.27710e+03   -2.95591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85492e+03    9.22282e+04    4.02281e+05   -2.33546e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65958e+04   -2.44663e+06    4.80117e+05   -1.96651e+06    2.59244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11269e+02   -2.06727e+02    5.52679e+01    5.06058e-06


DD  step 242819999 load imb.: force 15.1%  pme mesh/force 0.730
           Step           Time
      242820000   485640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83949e+03    1.93896e+04    1.29211e+04    1.20218e+03   -2.91055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87946e+03    9.27919e+04    4.01010e+05   -2.33993e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68296e+04   -2.44668e+06    4.81883e+05   -1.96480e+06    2.59250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12413e+02   -2.07518e+02    1.02493e+01    5.22354e-06


DD  step 242824999 load imb.: force 15.0%  pme mesh/force 0.735
           Step           Time
      242825000   485650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87073e+03    1.94086e+04    1.32541e+04    1.19602e+03   -3.03823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78915e+03    9.26374e+04    3.98440e+05   -2.33656e+04   -2.97575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66188e+04   -2.44794e+06    4.79812e+05   -1.96813e+06    2.59256e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11071e+02   -2.06922e+02   -1.06727e+02    5.05598e-06


DD  step 242829999 load imb.: force 14.7%  pme mesh/force 0.726
           Step           Time
      242830000   485660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97482e+03    1.95333e+04    1.31066e+04    1.15653e+03   -2.98270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88393e+03    9.18891e+04    3.98406e+05   -2.33971e+04   -2.97196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64739e+04   -2.44492e+06    4.79815e+05   -1.96510e+06    2.59262e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11073e+02   -2.07479e+02   -2.25046e+01    5.02275e-06


DD  step 242834999 load imb.: force 16.9%  pme mesh/force 0.721
           Step           Time
      242835000   485670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05704e+03    1.93805e+04    1.29240e+04    1.12232e+03   -3.02127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80320e+03    9.21290e+04    4.00979e+05   -2.34305e+04   -2.97972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65358e+04   -2.45024e+06    4.79294e+05   -1.97095e+06    2.59268e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.08072e+02   -6.78922e+00    5.11591e-06


DD  step 242839999 load imb.: force 16.0%  pme mesh/force 0.705
           Step           Time
      242840000   485680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81633e+03    1.93748e+04    1.31538e+04    1.15732e+03   -3.02470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90486e+03    9.22779e+04    4.01533e+05   -2.33965e+04   -2.98055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64808e+04   -2.45028e+06    4.78991e+05   -1.97129e+06    2.59273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.07468e+02    2.32602e+01    5.21847e-06


DD  step 242844999 load imb.: force 15.9%  pme mesh/force 0.766
           Step           Time
      242845000   485690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06525e+03    1.95018e+04    1.31210e+04    1.18628e+03   -2.93932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76333e+03    9.23023e+04    4.03224e+05   -2.33838e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64182e+04   -2.44680e+06    4.81584e+05   -1.96522e+06    2.59279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12219e+02   -2.07243e+02    4.24984e+01    5.04945e-06


DD  step 242849999 load imb.: force 17.4%  pme mesh/force 0.755
           Step           Time
      242850000   485700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23642e+03    1.96102e+04    1.29876e+04    1.16200e+03   -3.09589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71450e+03    9.22737e+04    3.97993e+05   -2.33734e+04   -2.97093e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63803e+04   -2.44404e+06    4.81429e+05   -1.96261e+06    2.59285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12119e+02   -2.07059e+02   -8.64080e+01    5.05700e-06


DD  step 242854999 load imb.: force 14.4%  pme mesh/force 0.714
           Step           Time
      242855000   485710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89633e+03    1.95439e+04    1.28625e+04    1.21182e+03   -2.92093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77022e+03    9.25662e+04    4.03341e+05   -2.34048e+04   -2.98089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62837e+04   -2.44874e+06    4.80933e+05   -1.96781e+06    2.59291e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11797e+02   -2.07615e+02    5.28650e+01    5.04047e-06


DD  step 242859999 load imb.: force 15.0%  pme mesh/force 0.736
           Step           Time
      242860000   485720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01087e+03    1.92367e+04    1.29282e+04    1.12533e+03   -3.06296e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82403e+03    9.25560e+04    4.00655e+05   -2.34129e+04   -2.97450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64378e+04   -2.44520e+06    4.80729e+05   -1.96447e+06    2.59297e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11665e+02   -2.07760e+02    2.32797e+01    5.13130e-06


DD  step 242864999 load imb.: force 14.6%  pme mesh/force 0.729
           Step           Time
      242865000   485730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05625e+03    1.93965e+04    1.31091e+04    1.09890e+03   -3.09884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76103e+03    9.27209e+04    3.99586e+05   -2.33455e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64406e+04   -2.44761e+06    4.79970e+05   -1.96764e+06    2.59303e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11173e+02   -2.06567e+02   -5.19815e+01    4.97750e-06


DD  step 242869999 load imb.: force 14.7%  pme mesh/force 0.745
           Step           Time
      242870000   485740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80972e+03    1.96024e+04    1.32518e+04    1.20488e+03   -3.03181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81172e+03    9.19499e+04    3.99000e+05   -2.33357e+04   -2.97257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67140e+04   -2.44460e+06    4.78350e+05   -1.96625e+06    2.59308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10123e+02   -2.06394e+02   -2.69182e+01    5.16425e-06


DD  step 242874999 load imb.: force 15.1%  pme mesh/force 0.722
           Step           Time
      242875000   485750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09906e+03    1.93165e+04    1.30680e+04    1.20115e+03   -2.98503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73017e+03    9.20499e+04    4.00441e+05   -2.33921e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63355e+04   -2.44734e+06    4.78717e+05   -1.96862e+06    2.59314e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.07391e+02   -4.15999e+01    5.14867e-06


DD  step 242879999 load imb.: force 13.5%  pme mesh/force 0.678
           Step           Time
      242880000   485760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99723e+03    1.94446e+04    1.31441e+04    1.10530e+03   -3.03512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96924e+03    9.21569e+04    4.01180e+05   -2.34076e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64287e+04   -2.44781e+06    4.80049e+05   -1.96776e+06    2.59320e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.07665e+02    4.24943e+01    5.27774e-06


DD  step 242884999 load imb.: force 15.3%  pme mesh/force 0.717
           Step           Time
      242885000   485770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98100e+03    1.95736e+04    1.27349e+04    1.16509e+03   -3.05030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93565e+03    9.25915e+04    3.99518e+05   -2.34051e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65170e+04   -2.44805e+06    4.78817e+05   -1.96923e+06    2.59326e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.07621e+02   -1.61838e+01    5.04573e-06


DD  step 242889999 load imb.: force 16.0%  pme mesh/force 0.724
           Step           Time
      242890000   485780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93318e+03    1.90556e+04    1.31316e+04    1.18534e+03   -2.97469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87713e+03    9.20115e+04    4.01755e+05   -2.33835e+04   -2.97936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65296e+04   -2.44924e+06    4.77894e+05   -1.97135e+06    2.59332e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09827e+02   -2.07239e+02    3.78239e+01    4.89638e-06


DD  step 242894999 load imb.: force 16.2%  pme mesh/force 0.721
           Step           Time
      242895000   485790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00445e+03    1.91055e+04    1.28022e+04    1.19341e+03   -3.01918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85701e+03    9.22320e+04    4.02308e+05   -2.34301e+04   -2.97964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65434e+04   -2.44904e+06    4.77917e+05   -1.97113e+06    2.59337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09842e+02   -2.08065e+02    4.59843e+01    5.04102e-06


DD  step 242899999 load imb.: force 16.8%  pme mesh/force 0.754
           Step           Time
      242900000   485800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00227e+03    1.95767e+04    1.29967e+04    1.24395e+03   -3.01377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80546e+03    9.20159e+04    4.00071e+05   -2.33819e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63318e+04   -2.44761e+06    4.79112e+05   -1.96850e+06    2.59343e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10617e+02   -2.07210e+02   -4.18893e+00    5.16307e-06


DD  step 242904999 load imb.: force 15.4%  pme mesh/force 0.732
           Step           Time
      242905000   485810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85704e+03    1.96713e+04    1.30519e+04    1.19549e+03   -3.00864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79019e+03    9.23019e+04    4.02113e+05   -2.33563e+04   -2.98064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65526e+04   -2.44947e+06    4.80159e+05   -1.96931e+06    2.59349e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.06758e+02   -4.84174e+00    5.09851e-06


DD  step 242909999 load imb.: force 14.8%  pme mesh/force 0.734
           Step           Time
      242910000   485820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94989e+03    1.96226e+04    1.32015e+04    1.14231e+03   -3.02385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86878e+03    9.21602e+04    4.00679e+05   -2.33692e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66124e+04   -2.44666e+06    4.80936e+05   -1.96572e+06    2.59355e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11799e+02   -2.06986e+02    2.49971e+01    5.08098e-06


DD  step 242914999 load imb.: force 15.8%  pme mesh/force 0.717
           Step           Time
      242915000   485830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13152e+03    1.93195e+04    1.27915e+04    1.15263e+03   -2.92669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95093e+03    9.24139e+04    4.04111e+05   -2.33810e+04   -2.98109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64622e+04   -2.44806e+06    4.80001e+05   -1.96806e+06    2.59360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11193e+02   -2.07194e+02    1.06320e+02    5.08023e-06


DD  step 242919999 load imb.: force 14.6%  pme mesh/force 0.746
           Step           Time
      242920000   485840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25267e+03    1.93433e+04    1.30969e+04    1.16403e+03   -3.06980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74904e+03    9.19523e+04    4.01501e+05   -2.34081e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64097e+04   -2.44964e+06    4.79024e+05   -1.97061e+06    2.59366e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10560e+02   -2.07675e+02   -2.28960e+01    5.34457e-06


DD  step 242924999 load imb.: force 13.3%  pme mesh/force 0.711
           Step           Time
      242925000   485850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27911e+03    1.93344e+04    1.31180e+04    1.19864e+03   -3.12505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89312e+03    9.24757e+04    3.99943e+05   -2.33934e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63784e+04   -2.44762e+06    4.80162e+05   -1.96746e+06    2.59372e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11297e+02   -2.07415e+02   -1.62194e+01    5.21030e-06


DD  step 242929999 load imb.: force 14.8%  pme mesh/force 0.717
           Step           Time
      242930000   485860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89385e+03    1.93609e+04    1.32171e+04    1.12353e+03   -2.88709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87922e+03    9.21541e+04    3.99958e+05   -2.33657e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66709e+04   -2.44692e+06    4.78098e+05   -1.96882e+06    2.59378e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09959e+02   -2.06924e+02    4.36667e+00    5.06667e-06


DD  step 242934999 load imb.: force 14.4%  pme mesh/force 0.713
           Step           Time
      242935000   485870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94986e+03    1.94252e+04    1.31794e+04    1.17847e+03   -2.93191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91807e+03    9.25652e+04    4.01746e+05   -2.34266e+04   -2.97843e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66041e+04   -2.44723e+06    4.78375e+05   -1.96885e+06    2.59384e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10139e+02   -2.08003e+02    4.94744e+01    4.96868e-06


DD  step 242939999 load imb.: force 14.0%  pme mesh/force 0.693
           Step           Time
      242940000   485880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82743e+03    1.92541e+04    1.30657e+04    1.14381e+03   -2.98987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80163e+03    9.22719e+04    3.97904e+05   -2.34107e+04   -2.97316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64606e+04   -2.44683e+06    4.80262e+05   -1.96657e+06    2.59389e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.07720e+02   -5.26563e+01    5.16923e-06


DD  step 242944999 load imb.: force 15.2%  pme mesh/force 0.737
           Step           Time
      242945000   485890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91911e+03    1.92886e+04    1.29962e+04    1.11516e+03   -2.85989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.04138e+03    9.29803e+04    3.99920e+05   -2.33412e+04   -2.97580e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66621e+04   -2.44608e+06    4.78848e+05   -1.96723e+06    2.59396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10446e+02   -2.06490e+02   -3.23641e+01    5.09410e-06


DD  step 242949999 load imb.: force 13.9%  pme mesh/force 0.699
           Step           Time
      242950000   485900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19260e+03    1.92556e+04    1.30599e+04    1.18145e+03   -2.96366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79142e+03    9.19142e+04    3.98362e+05   -2.33503e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62876e+04   -2.44872e+06    4.77946e+05   -1.97077e+06    2.59401e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09861e+02   -2.06651e+02   -1.34246e+02    5.15293e-06


DD  step 242954999 load imb.: force 15.7%  pme mesh/force 0.725
           Step           Time
      242955000   485910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35962e+03    1.94504e+04    1.30308e+04    1.24440e+03   -2.92534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81287e+03    9.22510e+04    4.01634e+05   -2.34025e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64661e+04   -2.44615e+06    4.78857e+05   -1.96729e+06    2.59407e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10452e+02   -2.07576e+02    1.72059e+01    5.23691e-06


DD  step 242959999 load imb.: force 13.9%  pme mesh/force 0.731
           Step           Time
      242960000   485920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05313e+03    1.94422e+04    1.33523e+04    1.18307e+03   -3.11950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92747e+03    9.24681e+04    4.02260e+05   -2.33909e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65823e+04   -2.44602e+06    4.78171e+05   -1.96785e+06    2.59413e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10007e+02   -2.07370e+02    1.02711e+02    5.03868e-06


DD  step 242964999 load imb.: force 15.7%  pme mesh/force 0.768
           Step           Time
      242965000   485930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07164e+03    1.95692e+04    1.30473e+04    1.15482e+03   -2.88792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85087e+03    9.24982e+04    3.97893e+05   -2.34155e+04   -2.97038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67434e+04   -2.44285e+06    4.82440e+05   -1.96041e+06    2.59418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12774e+02   -2.07806e+02   -2.09675e+01    5.05809e-06


DD  step 242969999 load imb.: force 14.2%  pme mesh/force 0.707
           Step           Time
      242970000   485940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96862e+03    1.90629e+04    1.30284e+04    1.20943e+03   -3.05508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90926e+03    9.28185e+04    3.98973e+05   -2.34002e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63451e+04   -2.44810e+06    4.78474e+05   -1.96963e+06    2.59424e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10203e+02   -2.07534e+02   -2.25402e+01    5.14510e-06


DD  step 242974999 load imb.: force 14.2%  pme mesh/force 0.706
           Step           Time
      242975000   485950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06373e+03    1.98424e+04    1.29813e+04    1.23163e+03   -3.02057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84001e+03    9.23694e+04    4.00967e+05   -2.34547e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63617e+04   -2.44796e+06    4.79578e+05   -1.96839e+06    2.59430e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.08500e+02    4.08811e+01    5.09904e-06


DD  step 242979999 load imb.: force 15.6%  pme mesh/force 0.707
           Step           Time
      242980000   485960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15780e+03    1.93812e+04    1.31350e+04    1.27744e+03   -2.95053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84203e+03    9.21155e+04    3.99320e+05   -2.33571e+04   -2.97292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66587e+04   -2.44434e+06    4.80666e+05   -1.96368e+06    2.59436e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11625e+02   -2.06772e+02   -4.41151e+00    5.19146e-06


DD  step 242984999 load imb.: force 15.6%  pme mesh/force 0.730
           Step           Time
      242985000   485970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87321e+03    1.96237e+04    1.31900e+04    1.20870e+03   -2.97742e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98646e+03    9.20259e+04    4.00508e+05   -2.33634e+04   -2.97718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65163e+04   -2.44759e+06    4.81017e+05   -1.96657e+06    2.59441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11852e+02   -2.06884e+02    7.22695e+01    5.08237e-06


DD  step 242989999 load imb.: force 14.8%  pme mesh/force 0.720
           Step           Time
      242990000   485980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13261e+03    1.91753e+04    1.30328e+04    1.13521e+03   -2.94183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78875e+03    9.26375e+04    3.98461e+05   -2.33704e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63266e+04   -2.44947e+06    4.77917e+05   -1.97155e+06    2.59447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09842e+02   -2.07006e+02   -1.17726e+02    5.27053e-06


DD  step 242994999 load imb.: force 14.2%  pme mesh/force 0.702
           Step           Time
      242995000   485990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17130e+03    1.94113e+04    1.31626e+04    1.07615e+03   -2.94820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82934e+03    9.25453e+04    4.00954e+05   -2.33966e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65998e+04   -2.44669e+06    4.80798e+05   -1.96590e+06    2.59453e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11710e+02   -2.07471e+02    5.37856e+01    5.22139e-06


DD  step 242999999 load imb.: force 16.3%  pme mesh/force 0.702
           Step           Time
      243000000   486000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88945e+03    1.96841e+04    1.30782e+04    1.28492e+03   -3.02012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94363e+03    9.27341e+04    4.00827e+05   -2.34083e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64256e+04   -2.44582e+06    4.80666e+05   -1.96515e+06    2.59459e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11624e+02   -2.07679e+02    5.72888e+01    5.14734e-06


DD  step 243004999 load imb.: force 17.4%  pme mesh/force 0.708
           Step           Time
      243005000   486010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03268e+03    1.92023e+04    1.31288e+04    1.22365e+03   -2.97882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78208e+03    9.24843e+04    3.97016e+05   -2.33415e+04   -2.97035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64670e+04   -2.44433e+06    4.79006e+05   -1.96533e+06    2.59464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10548e+02   -2.06495e+02   -8.66273e+01    5.26707e-06


DD  step 243009999 load imb.: force 14.9%  pme mesh/force 0.725
           Step           Time
      243010000   486020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09192e+03    1.90829e+04    1.30214e+04    1.11130e+03   -2.99532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75618e+03    9.33029e+04    3.99222e+05   -2.33445e+04   -2.97427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62229e+04   -2.44580e+06    4.80160e+05   -1.96564e+06    2.59470e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.06548e+02   -2.67692e+01    5.10113e-06


DD  step 243014999 load imb.: force 18.1%  pme mesh/force 0.718
           Step           Time
      243015000   486030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13882e+03    1.94102e+04    1.31779e+04    1.15624e+03   -2.95628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87596e+03    9.24001e+04    4.01474e+05   -2.33974e+04   -2.97796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65513e+04   -2.44713e+06    4.79975e+05   -1.96716e+06    2.59476e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.07485e+02    4.63718e+01    5.26876e-06


DD  step 243019999 load imb.: force 14.5%  pme mesh/force 0.703
           Step           Time
      243020000   486040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18603e+03    1.93813e+04    1.30826e+04    1.20530e+03   -2.97997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78942e+03    9.31018e+04    4.00270e+05   -2.33436e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63897e+04   -2.44662e+06    4.80088e+05   -1.96653e+06    2.59482e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11250e+02   -2.06532e+02   -3.93611e+00    5.38679e-06


DD  step 243024999 load imb.: force 14.6%  pme mesh/force 0.726
           Step           Time
      243025000   486050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17862e+03    1.93136e+04    1.31378e+04    1.20232e+03   -3.08065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79381e+03    9.24825e+04    3.99748e+05   -2.33974e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62954e+04   -2.44968e+06    4.78042e+05   -1.97164e+06    2.59488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09923e+02   -2.07485e+02   -3.62743e+01    5.20152e-06


DD  step 243029999 load imb.: force 14.1%  pme mesh/force 0.706
           Step           Time
      243030000   486060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10787e+03    1.98812e+04    1.32240e+04    1.24610e+03   -2.98617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94112e+03    9.26027e+04    4.01407e+05   -2.33632e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62373e+04   -2.44427e+06    4.80597e+05   -1.96367e+06    2.59493e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11580e+02   -2.06880e+02    2.62982e+01    5.08123e-06


DD  step 243034999 load imb.: force 14.8%  pme mesh/force 0.728
           Step           Time
      243035000   486070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06979e+03    1.90850e+04    1.31487e+04    1.16426e+03   -2.98113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75230e+03    9.32609e+04    4.00260e+05   -2.34138e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66913e+04   -2.44755e+06    4.80840e+05   -1.96671e+06    2.59499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11737e+02   -2.07776e+02    5.75082e+00    5.02637e-06


DD  step 243039999 load imb.: force 16.7%  pme mesh/force 0.698
           Step           Time
      243040000   486080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64297e+03    1.93358e+04    1.29863e+04    1.15345e+03   -3.02684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96178e+03    9.27185e+04    4.00150e+05   -2.33631e+04   -2.97612e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62544e+04   -2.44730e+06    4.76808e+05   -1.97049e+06    2.59505e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09123e+02   -2.06878e+02    3.22998e+01    5.12486e-06


DD  step 243044999 load imb.: force 14.8%  pme mesh/force 0.716
           Step           Time
      243045000   486090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17029e+03    1.92819e+04    1.31259e+04    1.18840e+03   -3.03783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83052e+03    9.25712e+04    4.01884e+05   -2.33760e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64666e+04   -2.44558e+06    4.80507e+05   -1.96508e+06    2.59511e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11521e+02   -2.07107e+02    2.75363e+01    5.30716e-06


DD  step 243049999 load imb.: force 17.2%  pme mesh/force 0.725
           Step           Time
      243050000   486100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13853e+03    1.92766e+04    1.32750e+04    1.24051e+03   -2.95196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73001e+03    9.27009e+04    4.01599e+05   -2.33297e+04   -2.97600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65367e+04   -2.44479e+06    4.79769e+05   -1.96502e+06    2.59516e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11043e+02   -2.06288e+02    4.12408e+01    5.19491e-06


DD  step 243054999 load imb.: force 14.0%  pme mesh/force 0.704
           Step           Time
      243055000   486110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11339e+03    1.95930e+04    1.30929e+04    1.20295e+03   -3.03957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77162e+03    9.22221e+04    3.97818e+05   -2.33673e+04   -2.97311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65228e+04   -2.44618e+06    4.80336e+05   -1.96584e+06    2.59522e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11410e+02   -2.06953e+02   -1.22959e+02    4.99118e-06


DD  step 243059999 load imb.: force 15.9%  pme mesh/force 0.737
           Step           Time
      243060000   486120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92497e+03    1.94041e+04    1.29728e+04    1.10148e+03   -3.02092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90449e+03    9.24952e+04    3.99349e+05   -2.33632e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66207e+04   -2.44914e+06    4.80439e+05   -1.96870e+06    2.59528e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11477e+02   -2.06880e+02   -4.13063e+01    4.96660e-06


DD  step 243064999 load imb.: force 14.4%  pme mesh/force 0.707
           Step           Time
      243065000   486130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11049e+03    1.98607e+04    1.30351e+04    1.15602e+03   -3.01017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77571e+03    9.27256e+04    4.01374e+05   -2.33399e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64436e+04   -2.44595e+06    4.81753e+05   -1.96419e+06    2.59534e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12329e+02   -2.06468e+02   -6.88690e-01    5.17449e-06


DD  step 243069999 load imb.: force 16.8%  pme mesh/force 0.721
           Step           Time
      243070000   486140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02818e+03    1.96096e+04    1.30455e+04    1.16210e+03   -3.07009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78006e+03    9.29225e+04    4.02698e+05   -2.33831e+04   -2.97892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65055e+04   -2.44662e+06    4.82759e+05   -1.96387e+06    2.59540e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12981e+02   -2.07232e+02    8.14802e+01    5.29410e-06


DD  step 243074999 load imb.: force 15.1%  pme mesh/force 0.725
           Step           Time
      243075000   486150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30078e+03    1.94855e+04    1.30128e+04    1.15008e+03   -2.95452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87635e+03    9.26505e+04    3.99374e+05   -2.33851e+04   -2.97677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64672e+04   -2.44779e+06    4.80271e+05   -1.96752e+06    2.59546e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11368e+02   -2.07267e+02   -4.63506e+01    5.21495e-06


DD  step 243079999 load imb.: force 15.2%  pme mesh/force 0.733
           Step           Time
      243080000   486160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67504e+03    1.95897e+04    1.32998e+04    1.25644e+03   -3.02377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01648e+03    9.25899e+04    4.01355e+05   -2.33849e+04   -2.97699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63948e+04   -2.44622e+06    4.78655e+05   -1.96757e+06    2.59552e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10320e+02   -2.07263e+02    6.38693e+01    4.90801e-06


DD  step 243084999 load imb.: force 13.3%  pme mesh/force 0.702
           Step           Time
      243085000   486170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90043e+03    1.98862e+04    1.30168e+04    1.17769e+03   -3.04858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69373e+03    9.24194e+04    3.97634e+05   -2.34043e+04   -2.97187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65386e+04   -2.44505e+06    4.78434e+05   -1.96662e+06    2.59557e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10177e+02   -2.07608e+02   -2.93959e+01    5.04884e-06


DD  step 243089999 load imb.: force 13.5%  pme mesh/force 0.701
           Step           Time
      243090000   486180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92202e+03    1.98622e+04    1.33532e+04    1.14370e+03   -3.04747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79208e+03    9.29119e+04    3.99369e+05   -2.34034e+04   -2.97318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65087e+04   -2.44377e+06    4.79979e+05   -1.96379e+06    2.59563e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11179e+02   -2.07591e+02    7.45186e+00    4.98649e-06

Writing checkpoint, step 243092900 at Wed Nov  8 12:46:28 2023



DD  step 243094999 load imb.: force 15.4%  pme mesh/force 0.718
           Step           Time
      243095000   486190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96794e+03    1.88226e+04    1.32603e+04    1.23428e+03   -3.02819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81898e+03    9.26553e+04    4.01074e+05   -2.33332e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64880e+04   -2.44711e+06    4.77463e+05   -1.96965e+06    2.59568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09548e+02   -2.06350e+02   -3.83880e+01    5.01014e-06


DD  step 243099999 load imb.: force 15.0%  pme mesh/force 0.730
           Step           Time
      243100000   486200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06241e+03    1.94515e+04    1.32660e+04    1.25678e+03   -3.10911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88090e+03    9.18963e+04    4.01280e+05   -2.33799e+04   -2.97452e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63847e+04   -2.44453e+06    4.80151e+05   -1.96438e+06    2.59574e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11291e+02   -2.07176e+02    1.91319e+01    5.03630e-06


DD  step 243104999 load imb.: force 14.0%  pme mesh/force 0.695
           Step           Time
      243105000   486210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86297e+03    1.93740e+04    1.31047e+04    1.25193e+03   -3.03290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77435e+03    9.21079e+04    4.01616e+05   -2.33823e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65153e+04   -2.44809e+06    4.78483e+05   -1.96960e+06    2.59579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10209e+02   -2.07217e+02    4.43286e+01    4.86638e-06


DD  step 243109999 load imb.: force 15.1%  pme mesh/force 0.712
           Step           Time
      243110000   486220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10942e+03    1.99166e+04    1.30660e+04    1.15358e+03   -3.08056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78790e+03    9.24571e+04    3.99269e+05   -2.34016e+04   -2.97404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65172e+04   -2.44524e+06    4.82533e+05   -1.96271e+06    2.59585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12835e+02   -2.07560e+02   -1.57234e+01    5.08793e-06


DD  step 243114999 load imb.: force 15.7%  pme mesh/force 0.715
           Step           Time
      243115000   486230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81728e+03    1.93763e+04    1.31623e+04    1.15866e+03   -3.03971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83015e+03    9.21761e+04    3.98777e+05   -2.33562e+04   -2.97398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65447e+04   -2.44653e+06    4.80207e+05   -1.96632e+06    2.59591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11327e+02   -2.06756e+02   -3.97431e+01    5.21839e-06


DD  step 243119999 load imb.: force 14.8%  pme mesh/force 0.648
           Step           Time
      243120000   486240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83732e+03    1.98170e+04    1.32989e+04    1.22212e+03   -3.09444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88436e+03    9.20529e+04    4.00870e+05   -2.33687e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64409e+04   -2.44545e+06    4.79966e+05   -1.96548e+06    2.59597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11170e+02   -2.06977e+02    5.35121e+01    5.03374e-06


DD  step 243124999 load imb.: force 15.3%  pme mesh/force 0.750
           Step           Time
      243125000   486250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88022e+03    1.94837e+04    1.31946e+04    1.23176e+03   -3.07179e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82288e+03    9.25223e+04    3.96890e+05   -2.33564e+04   -2.97125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65959e+04   -2.44506e+06    4.80173e+05   -1.96489e+06    2.59603e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.06760e+02   -1.06330e+02    5.09617e-06


DD  step 243129999 load imb.: force 15.5%  pme mesh/force 0.716
           Step           Time
      243130000   486260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13787e+03    1.92716e+04    1.30275e+04    1.23409e+03   -3.00664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91444e+03    9.23541e+04    4.00561e+05   -2.33423e+04   -2.97318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66187e+04   -2.44341e+06    4.79008e+05   -1.96440e+06    2.59609e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10550e+02   -2.06510e+02    3.55534e+01    4.99467e-06


DD  step 243134999 load imb.: force 16.2%  pme mesh/force 0.750
           Step           Time
      243135000   486270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02786e+03    1.94420e+04    1.30294e+04    1.15210e+03   -2.93741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79934e+03    9.21747e+04    4.01091e+05   -2.34056e+04   -2.97958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64922e+04   -2.44972e+06    4.78896e+05   -1.97082e+06    2.59615e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10477e+02   -2.07630e+02   -3.23721e+01    4.95022e-06


DD  step 243139999 load imb.: force 17.8%  pme mesh/force 0.728
           Step           Time
      243140000   486280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12322e+03    1.94831e+04    1.31738e+04    1.20732e+03   -3.17329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92200e+03    9.26830e+04    3.99030e+05   -2.33917e+04   -2.97388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65079e+04   -2.44532e+06    4.80433e+05   -1.96488e+06    2.59621e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11473e+02   -2.07383e+02   -9.69440e+00    5.06394e-06


DD  step 243144999 load imb.: force 17.8%  pme mesh/force 0.731
           Step           Time
      243145000   486290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79158e+03    1.95451e+04    1.30020e+04    1.22177e+03   -3.03077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86872e+03    9.24118e+04    4.01614e+05   -2.33639e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66444e+04   -2.44678e+06    4.78451e+05   -1.96833e+06    2.59626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10188e+02   -2.06891e+02    2.27741e+01    4.74137e-06


DD  step 243149999 load imb.: force 14.4%  pme mesh/force 0.721
           Step           Time
      243150000   486300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22490e+03    1.93834e+04    1.30079e+04    1.09048e+03   -2.96409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85873e+03    9.22903e+04    3.97464e+05   -2.33774e+04   -2.97332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66464e+04   -2.44669e+06    4.80857e+05   -1.96584e+06    2.59632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11748e+02   -2.07130e+02   -9.80327e+01    5.09284e-06


DD  step 243154999 load imb.: force 14.6%  pme mesh/force 0.724
           Step           Time
      243155000   486310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09678e+03    1.93915e+04    1.29985e+04    1.12356e+03   -3.06762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76469e+03    9.23661e+04    3.99933e+05   -2.33877e+04   -2.97921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64500e+04   -2.45054e+06    4.77748e+05   -1.97279e+06    2.59638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09732e+02   -2.07314e+02   -8.05362e+01    4.90656e-06


DD  step 243159999 load imb.: force 15.2%  pme mesh/force 0.714
           Step           Time
      243160000   486320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12713e+03    1.97468e+04    1.29178e+04    1.18707e+03   -3.05374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76048e+03    9.27343e+04    3.98300e+05   -2.33751e+04   -2.97409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65939e+04   -2.44615e+06    4.81178e+05   -1.96497e+06    2.59643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11956e+02   -2.07090e+02   -4.28876e+01    4.85506e-06


DD  step 243164999 load imb.: force 16.1%  pme mesh/force 0.705
           Step           Time
      243165000   486330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08497e+03    1.97302e+04    1.31120e+04    1.24598e+03   -2.84206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83521e+03    9.24779e+04    4.00887e+05   -2.33531e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67127e+04   -2.44629e+06    4.81337e+05   -1.96496e+06    2.59649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12059e+02   -2.06701e+02    1.27241e+01    4.89932e-06


DD  step 243169999 load imb.: force 16.8%  pme mesh/force 0.754
           Step           Time
      243170000   486340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03938e+03    1.92179e+04    1.27989e+04    1.06011e+03   -3.01802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78831e+03    9.32118e+04    4.01106e+05   -2.34094e+04   -2.97593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65224e+04   -2.44561e+06    4.77113e+05   -1.96850e+06    2.59655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09321e+02   -2.07697e+02    3.31327e+01    4.82223e-06


DD  step 243174999 load imb.: force 15.6%  pme mesh/force 0.721
           Step           Time
      243175000   486350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92848e+03    1.94950e+04    1.32643e+04    1.15638e+03   -3.04355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69172e+03    9.18849e+04    4.00141e+05   -2.33464e+04   -2.97572e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64454e+04   -2.44710e+06    4.79060e+05   -1.96804e+06    2.59661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.06582e+02   -2.98865e+01    4.97137e-06


DD  step 243179999 load imb.: force 15.2%  pme mesh/force 0.715
           Step           Time
      243180000   486360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06773e+03    1.96622e+04    1.29732e+04    1.21525e+03   -3.08793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77466e+03    9.24744e+04    3.99884e+05   -2.33704e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65085e+04   -2.44633e+06    4.79470e+05   -1.96686e+06    2.59666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10849e+02   -2.07008e+02   -5.77439e+01    4.96500e-06


DD  step 243184999 load imb.: force 15.4%  pme mesh/force 0.716
           Step           Time
      243185000   486370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97934e+03    1.93806e+04    1.29969e+04    1.16420e+03   -2.98371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79699e+03    9.23718e+04    4.02387e+05   -2.33991e+04   -2.98044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65511e+04   -2.44920e+06    4.79041e+05   -1.97015e+06    2.59672e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.07515e+02   -4.12492e+00    5.02669e-06


DD  step 243189999 load imb.: force 16.6%  pme mesh/force 0.741
           Step           Time
      243190000   486380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88014e+03    1.90942e+04    1.28670e+04    1.13541e+03   -2.85915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85698e+03    9.25065e+04    4.02797e+05   -2.34308e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64824e+04   -2.44865e+06    4.80084e+05   -1.96856e+06    2.59678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11247e+02   -2.08077e+02    1.03388e+02    4.94816e-06


DD  step 243194999 load imb.: force 15.2%  pme mesh/force 0.723
           Step           Time
      243195000   486390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93463e+03    1.94406e+04    1.29843e+04    1.18996e+03   -3.01225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88768e+03    9.27492e+04    3.97142e+05   -2.33346e+04   -2.97120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63664e+04   -2.44485e+06    4.82072e+05   -1.96277e+06    2.59683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12536e+02   -2.06373e+02   -3.39473e+01    4.95441e-06


DD  step 243199999 load imb.: force 14.4%  pme mesh/force 0.721
           Step           Time
      243200000   486400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00585e+03    1.91845e+04    1.30356e+04    1.22295e+03   -3.08129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89226e+03    9.28022e+04    4.01322e+05   -2.33706e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64156e+04   -2.44868e+06    4.78086e+05   -1.97059e+06    2.59690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09952e+02   -2.07011e+02   -8.90419e+00    4.95184e-06


DD  step 243204999 load imb.: force 13.7%  pme mesh/force 0.676
           Step           Time
      243205000   486410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01090e+03    1.94958e+04    1.29772e+04    1.18171e+03   -2.95501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76114e+03    9.23383e+04    3.97995e+05   -2.33361e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63107e+04   -2.44716e+06    4.81613e+05   -1.96555e+06    2.59695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12239e+02   -2.06400e+02   -1.04610e+02    4.94437e-06


DD  step 243209999 load imb.: force 16.5%  pme mesh/force 0.743
           Step           Time
      243210000   486420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31770e+03    1.95953e+04    1.30371e+04    1.26324e+03   -2.99977e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73042e+03    9.26171e+04    3.98981e+05   -2.33736e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62642e+04   -2.44612e+06    4.81538e+05   -1.96458e+06    2.59700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12190e+02   -2.07064e+02   -1.20157e+02    5.01635e-06


DD  step 243214999 load imb.: force 17.3%  pme mesh/force 0.715
           Step           Time
      243215000   486430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94952e+03    1.91770e+04    1.29546e+04    1.12471e+03   -3.00161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89570e+03    9.26264e+04    4.01106e+05   -2.33300e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66846e+04   -2.44805e+06    4.77584e+05   -1.97047e+06    2.59707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09626e+02   -2.06293e+02   -1.41717e+01    5.11151e-06


DD  step 243219999 load imb.: force 15.0%  pme mesh/force 0.694
           Step           Time
      243220000   486440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11848e+03    1.92012e+04    1.28294e+04    1.20742e+03   -3.00319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88806e+03    9.27445e+04    4.00883e+05   -2.33707e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65968e+04   -2.44617e+06    4.78915e+05   -1.96726e+06    2.59712e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.07012e+02    4.12652e+01    5.00257e-06


DD  step 243224999 load imb.: force 17.0%  pme mesh/force 0.725
           Step           Time
      243225000   486450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90019e+03    1.94779e+04    1.29455e+04    1.15263e+03   -2.92910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82215e+03    9.26829e+04    3.99158e+05   -2.33790e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64748e+04   -2.44722e+06    4.78908e+05   -1.96831e+06    2.59718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10485e+02   -2.07159e+02   -6.86689e+01    5.05607e-06


DD  step 243229999 load imb.: force 14.9%  pme mesh/force 0.713
           Step           Time
      243230000   486460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97678e+03    1.91565e+04    1.29320e+04    1.16411e+03   -3.02265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94377e+03    9.24218e+04    4.01030e+05   -2.33818e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62986e+04   -2.44895e+06    4.80201e+05   -1.96875e+06    2.59724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11323e+02   -2.07209e+02    4.31985e+01    4.98181e-06


DD  step 243234999 load imb.: force 13.7%  pme mesh/force 0.704
           Step           Time
      243235000   486470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14979e+03    1.94480e+04    1.30093e+04    1.21572e+03   -2.88709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70669e+03    9.24468e+04    4.02161e+05   -2.34285e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63946e+04   -2.44710e+06    4.77911e+05   -1.96918e+06    2.59730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09838e+02   -2.08036e+02    5.09110e+01    5.00525e-06


DD  step 243239999 load imb.: force 14.8%  pme mesh/force 0.705
           Step           Time
      243240000   486480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26411e+03    1.92053e+04    1.31874e+04    1.18284e+03   -3.11202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75928e+03    9.23843e+04    3.97521e+05   -2.33661e+04   -2.97362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66080e+04   -2.44698e+06    4.80886e+05   -1.96610e+06    2.59735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11767e+02   -2.06930e+02   -1.26358e+02    5.00830e-06


DD  step 243244999 load imb.: force 18.6%  pme mesh/force 0.749
           Step           Time
      243245000   486490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95034e+03    1.91192e+04    1.30352e+04    1.16931e+03   -3.00103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80152e+03    9.23983e+04    4.01097e+05   -2.34246e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65002e+04   -2.44944e+06    4.81568e+05   -1.96787e+06    2.59740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12209e+02   -2.07966e+02    2.59680e+01    4.91907e-06


DD  step 243249999 load imb.: force 15.3%  pme mesh/force 0.704
           Step           Time
      243250000   486500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93130e+03    1.92522e+04    1.28828e+04    1.16807e+03   -3.03223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93691e+03    9.28129e+04    4.00129e+05   -2.33743e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65591e+04   -2.44706e+06    4.79359e+05   -1.96770e+06    2.59746e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.07077e+02    4.72284e+00    4.97095e-06


DD  step 243254999 load imb.: force 16.2%  pme mesh/force 0.720
           Step           Time
      243255000   486510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15212e+03    1.95096e+04    1.29889e+04    1.14655e+03   -3.02727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81004e+03    9.21595e+04    4.01227e+05   -2.33390e+04   -2.97722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65971e+04   -2.44700e+06    4.79514e+05   -1.96748e+06    2.59752e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.06452e+02    7.22557e+00    4.96657e-06


DD  step 243259999 load imb.: force 12.8%  pme mesh/force 0.695
           Step           Time
      243260000   486520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17252e+03    1.93764e+04    1.30005e+04    1.09072e+03   -3.07434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78269e+03    9.24376e+04    4.00443e+05   -2.33888e+04   -2.97681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63552e+04   -2.44761e+06    4.79242e+05   -1.96837e+06    2.59758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10702e+02   -2.07333e+02   -3.01077e+01    5.18732e-06


DD  step 243264999 load imb.: force 16.5%  pme mesh/force 0.726
           Step           Time
      243265000   486530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60082e+03    1.92783e+04    1.31781e+04    1.18951e+03   -2.90576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90050e+03    9.23767e+04    3.99693e+05   -2.34336e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65799e+04   -2.44644e+06    4.78544e+05   -1.96790e+06    2.59763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.08126e+02    2.39059e+01    4.94617e-06


DD  step 243269999 load imb.: force 16.2%  pme mesh/force 0.708
           Step           Time
      243270000   486540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04603e+03    1.95066e+04    1.31773e+04    1.16896e+03   -2.98608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77361e+03    9.21558e+04    4.01330e+05   -2.33646e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67065e+04   -2.44768e+06    4.78594e+05   -1.96909e+06    2.59769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10281e+02   -2.06904e+02   -1.80016e+00    5.12238e-06


DD  step 243274999 load imb.: force 17.1%  pme mesh/force 0.758
           Step           Time
      243275000   486550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15440e+03    1.91862e+04    1.30140e+04    1.24479e+03   -2.95019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83834e+03    9.23402e+04    4.02465e+05   -2.34819e+04   -2.98051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63775e+04   -2.44932e+06    4.80320e+05   -1.96900e+06    2.59775e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11400e+02   -2.08984e+02    3.39738e+01    4.99981e-06


DD  step 243279999 load imb.: force 15.4%  pme mesh/force 0.719
           Step           Time
      243280000   486560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99890e+03    1.93853e+04    1.31385e+04    1.22113e+03   -2.92728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78560e+03    9.24730e+04    3.96984e+05   -2.33540e+04   -2.97249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.44623e+06    4.80299e+05   -1.96593e+06    2.59780e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11386e+02   -2.06717e+02   -1.41090e+02    4.94876e-06


DD  step 243284999 load imb.: force 15.1%  pme mesh/force 0.695
           Step           Time
      243285000   486570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99228e+03    1.92021e+04    1.29961e+04    1.23095e+03   -2.97496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82935e+03    9.25251e+04    4.00243e+05   -2.34402e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64955e+04   -2.44778e+06    4.79488e+05   -1.96829e+06    2.59786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10861e+02   -2.08243e+02    8.12915e+01    4.97103e-06


DD  step 243289999 load imb.: force 13.9%  pme mesh/force 0.719
           Step           Time
      243290000   486580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04336e+03    1.93150e+04    1.30166e+04    1.23542e+03   -2.98223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88984e+03    9.22704e+04    3.99661e+05   -2.33810e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65504e+04   -2.44681e+06    4.79074e+05   -1.96774e+06    2.59792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10592e+02   -2.07194e+02   -8.65079e+00    4.82732e-06


DD  step 243294999 load imb.: force 15.4%  pme mesh/force 0.734
           Step           Time
      243295000   486590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01656e+03    1.95172e+04    1.31990e+04    1.13073e+03   -2.99483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68666e+03    9.20455e+04    4.00423e+05   -2.33383e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65329e+04   -2.44677e+06    4.80729e+05   -1.96604e+06    2.59798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11665e+02   -2.06440e+02   -8.13009e+01    4.91697e-06


DD  step 243299999 load imb.: force 15.0%  pme mesh/force 0.737
           Step           Time
      243300000   486600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11775e+03    1.92969e+04    1.32428e+04    1.10498e+03   -3.05626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87562e+03    9.23494e+04    4.00579e+05   -2.33916e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65876e+04   -2.44531e+06    4.80673e+05   -1.96464e+06    2.59804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11629e+02   -2.07383e+02    1.68041e+01    5.06403e-06


DD  step 243304999 load imb.: force 14.9%  pme mesh/force 0.700
           Step           Time
      243305000   486610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80061e+03    1.96972e+04    1.31649e+04    1.21312e+03   -2.95737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90150e+03    9.25303e+04    4.00904e+05   -2.33435e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65970e+04   -2.44403e+06    4.78472e+05   -1.96556e+06    2.59810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10202e+02   -2.06531e+02    5.75162e+01    5.12333e-06


DD  step 243309999 load imb.: force 14.0%  pme mesh/force 0.705
           Step           Time
      243310000   486620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00172e+03    1.92768e+04    1.32302e+04    1.18051e+03   -3.02178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79813e+03    9.25980e+04    4.02089e+05   -2.33991e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62270e+04   -2.44741e+06    4.79564e+05   -1.96785e+06    2.59816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10910e+02   -2.07515e+02    2.13435e+01    5.09208e-06


DD  step 243314999 load imb.: force 15.8%  pme mesh/force 0.759
           Step           Time
      243315000   486630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92873e+03    1.95243e+04    1.28094e+04    1.20782e+03   -2.97501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80507e+03    9.28606e+04    4.00474e+05   -2.33567e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65994e+04   -2.44819e+06    4.80790e+05   -1.96740e+06    2.59822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11705e+02   -2.06764e+02   -1.32259e+01    5.02253e-06


DD  step 243319999 load imb.: force 13.0%  pme mesh/force 0.705
           Step           Time
      243320000   486640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05567e+03    1.95318e+04    1.31685e+04    1.25092e+03   -2.99548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90209e+03    9.22196e+04    4.03176e+05   -2.33657e+04   -2.98076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65560e+04   -2.44826e+06    4.79342e+05   -1.96892e+06    2.59827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10766e+02   -2.06924e+02    1.84327e+01    4.85246e-06


DD  step 243324999 load imb.: force 15.3%  pme mesh/force 0.674
           Step           Time
      243325000   486650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22624e+03    1.94705e+04    1.30701e+04    1.09071e+03   -3.01002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82834e+03    9.24556e+04    3.99437e+05   -2.33665e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65205e+04   -2.44472e+06    4.80246e+05   -1.96447e+06    2.59833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11352e+02   -2.06937e+02   -6.31578e+00    5.22785e-06


DD  step 243329999 load imb.: force 15.4%  pme mesh/force 0.734
           Step           Time
      243330000   486660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99079e+03    1.95654e+04    1.32235e+04    1.21423e+03   -3.15843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83573e+03    9.29732e+04    4.00056e+05   -2.34053e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65110e+04   -2.44603e+06    4.80423e+05   -1.96560e+06    2.59839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11467e+02   -2.07624e+02    7.02995e+00    5.01425e-06


DD  step 243334999 load imb.: force 15.8%  pme mesh/force 0.720
           Step           Time
      243335000   486670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97012e+03    1.92511e+04    1.29361e+04    1.16224e+03   -3.05685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90737e+03    9.25108e+04    4.01610e+05   -2.33955e+04   -2.97794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66994e+04   -2.44735e+06    4.78185e+05   -1.96916e+06    2.59844e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10016e+02   -2.07451e+02    7.12867e+01    5.10687e-06


DD  step 243339999 load imb.: force 15.9%  pme mesh/force 0.727
           Step           Time
      243340000   486680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97042e+03    1.91570e+04    1.29607e+04    1.15495e+03   -2.99957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77779e+03    9.28731e+04    3.98662e+05   -2.33861e+04   -2.97372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65637e+04   -2.44598e+06    4.78580e+05   -1.96740e+06    2.59850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10272e+02   -2.07285e+02   -4.66816e+01    4.91666e-06


DD  step 243344999 load imb.: force 14.5%  pme mesh/force 0.702
           Step           Time
      243345000   486690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.58669e+03    1.96336e+04    1.31692e+04    1.22559e+03   -3.07713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74006e+03    9.28122e+04    4.03126e+05   -2.33774e+04   -2.98067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64218e+04   -2.44841e+06    4.78642e+05   -1.96977e+06    2.59856e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.07130e+02    8.32770e+01    4.84056e-06


DD  step 243349999 load imb.: force 16.7%  pme mesh/force 0.736
           Step           Time
      243350000   486700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09071e+03    1.93314e+04    1.31877e+04    1.16158e+03   -3.07278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79860e+03    9.29401e+04    4.01418e+05   -2.33375e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64946e+04   -2.44701e+06    4.79599e+05   -1.96741e+06    2.59862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.06426e+02   -5.12390e-01    5.05767e-06


DD  step 243354999 load imb.: force 16.6%  pme mesh/force 0.732
           Step           Time
      243355000   486710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80175e+03    1.90350e+04    1.30246e+04    1.17454e+03   -2.96127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87566e+03    9.26986e+04    4.00918e+05   -2.34016e+04   -2.98110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64022e+04   -2.45153e+06    4.78700e+05   -1.97283e+06    2.59867e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10350e+02   -2.07559e+02   -1.96216e+01    4.90900e-06


DD  step 243359999 load imb.: force 15.6%  pme mesh/force 0.728
           Step           Time
      243360000   486720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15538e+03    1.94262e+04    1.33206e+04    1.13652e+03   -2.96419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79053e+03    9.26786e+04    3.99748e+05   -2.33705e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66808e+04   -2.44556e+06    4.78228e+05   -1.96733e+06    2.59873e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10044e+02   -2.07009e+02    3.47568e+00    5.03230e-06


DD  step 243364999 load imb.: force 18.0%  pme mesh/force 0.765
           Step           Time
      243365000   486730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28545e+03    1.90927e+04    1.31341e+04    1.29242e+03   -3.16254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91363e+03    9.26242e+04    4.02350e+05   -2.33540e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65778e+04   -2.44548e+06    4.80211e+05   -1.96526e+06    2.59879e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11329e+02   -2.06716e+02    5.76249e+01    4.96794e-06


DD  step 243369999 load imb.: force 16.4%  pme mesh/force 0.746
           Step           Time
      243370000   486740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12583e+03    1.96779e+04    1.29571e+04    1.17948e+03   -3.06544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73265e+03    9.27696e+04    3.98910e+05   -2.34378e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65728e+04   -2.44782e+06    4.78392e+05   -1.96943e+06    2.59885e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10150e+02   -2.08202e+02   -5.68758e+01    4.88406e-06


DD  step 243374999 load imb.: force 15.8%  pme mesh/force 0.691
           Step           Time
      243375000   486750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08455e+03    1.96263e+04    1.29496e+04    1.19856e+03   -3.12263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71161e+03    9.26648e+04    3.98233e+05   -2.34014e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64349e+04   -2.44748e+06    4.80217e+05   -1.96726e+06    2.59890e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11333e+02   -2.07557e+02   -6.58548e+01    5.01154e-06


DD  step 243379999 load imb.: force 17.4%  pme mesh/force 0.722
           Step           Time
      243380000   486760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08829e+03    1.93573e+04    1.32084e+04    1.12654e+03   -3.00458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78883e+03    9.24781e+04    4.00700e+05   -2.33217e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65756e+04   -2.44705e+06    4.78036e+05   -1.96901e+06    2.59897e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09919e+02   -2.06146e+02   -6.45938e+01    4.89116e-06


DD  step 243384999 load imb.: force 14.6%  pme mesh/force 0.703
           Step           Time
      243385000   486770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09773e+03    1.97142e+04    1.30883e+04    1.19939e+03   -3.05524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78050e+03    9.29317e+04    3.99485e+05   -2.34034e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64305e+04   -2.44515e+06    4.79651e+05   -1.96550e+06    2.59902e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10967e+02   -2.07591e+02    7.68585e-01    4.90581e-06


DD  step 243389999 load imb.: force 15.9%  pme mesh/force 0.739
           Step           Time
      243390000   486780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27353e+03    1.95682e+04    1.31224e+04    1.08231e+03   -2.99250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89549e+03    9.26319e+04    3.95733e+05   -2.33678e+04   -2.97089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64835e+04   -2.44546e+06    4.78581e+05   -1.96688e+06    2.59908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10273e+02   -2.06961e+02   -1.23605e+02    4.99106e-06


DD  step 243394999 load imb.: force 16.7%  pme mesh/force 0.739
           Step           Time
      243395000   486790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83123e+03    1.95539e+04    1.28979e+04    1.12088e+03   -2.99609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81231e+03    9.23954e+04    4.02105e+05   -2.34265e+04   -2.97877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65228e+04   -2.44795e+06    4.78396e+05   -1.96956e+06    2.59913e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10153e+02   -2.08001e+02    7.38269e+01    4.96959e-06


DD  step 243399999 load imb.: force 16.8%  pme mesh/force 0.754
           Step           Time
      243400000   486800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01737e+03    1.96244e+04    1.32432e+04    1.22445e+03   -3.06754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77970e+03    9.23813e+04    3.98911e+05   -2.34041e+04   -2.97364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63060e+04   -2.44562e+06    4.79225e+05   -1.96640e+06    2.59919e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10690e+02   -2.07604e+02   -1.12969e+01    5.01723e-06


DD  step 243404999 load imb.: force 14.6%  pme mesh/force 0.734
           Step           Time
      243405000   486810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02176e+03    1.95447e+04    1.29624e+04    1.16493e+03   -3.02670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80265e+03    9.24620e+04    3.99236e+05   -2.33499e+04   -2.97352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64797e+04   -2.44523e+06    4.82267e+05   -1.96296e+06    2.59925e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12662e+02   -2.06644e+02   -3.15876e+01    4.96961e-06


DD  step 243409999 load imb.: force 14.4%  pme mesh/force 0.725
           Step           Time
      243410000   486820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90632e+03    1.94231e+04    1.29827e+04    1.12566e+03   -2.98757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90914e+03    9.29318e+04    3.99457e+05   -2.34027e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64112e+04   -2.44890e+06    4.81029e+05   -1.96787e+06    2.59930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11860e+02   -2.07578e+02    1.47465e+01    4.91486e-06


DD  step 243414999 load imb.: force 14.2%  pme mesh/force 0.677
           Step           Time
      243415000   486830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89847e+03    1.94209e+04    1.29467e+04    1.10274e+03   -3.00793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74621e+03    9.24926e+04    4.01060e+05   -2.33950e+04   -2.97714e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64082e+04   -2.44746e+06    4.79874e+05   -1.96759e+06    2.59936e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11111e+02   -2.07442e+02    4.61241e+01    5.07053e-06


DD  step 243419999 load imb.: force 15.9%  pme mesh/force 0.740
           Step           Time
      243420000   486840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27122e+03    1.94728e+04    1.30280e+04    1.13064e+03   -3.02848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83757e+03    9.24134e+04    3.98546e+05   -2.33812e+04   -2.97412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64575e+04   -2.44637e+06    4.78872e+05   -1.96750e+06    2.59942e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10461e+02   -2.07199e+02   -3.65134e+01    4.98143e-06


DD  step 243424999 load imb.: force 13.9%  pme mesh/force 0.716
           Step           Time
      243425000   486850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19952e+03    1.97186e+04    1.30702e+04    1.12142e+03   -3.12932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62425e+03    9.23955e+04    4.00215e+05   -2.33827e+04   -2.97933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67283e+04   -2.44977e+06    4.79752e+05   -1.97002e+06    2.59948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11032e+02   -2.07224e+02   -7.16739e+01    5.07247e-06


DD  step 243429999 load imb.: force 16.1%  pme mesh/force 0.731
           Step           Time
      243430000   486860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27167e+03    1.97829e+04    1.29858e+04    1.12742e+03   -3.05969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77169e+03    9.25156e+04    3.96962e+05   -2.33418e+04   -2.97134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63725e+04   -2.44496e+06    4.80859e+05   -1.96410e+06    2.59954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11750e+02   -2.06502e+02   -8.02342e+01    5.11917e-06


DD  step 243434999 load imb.: force 14.3%  pme mesh/force 0.752
           Step           Time
      243435000   486870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03962e+03    1.94609e+04    1.30844e+04    1.17994e+03   -2.98493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84914e+03    9.25217e+04    4.01045e+05   -2.33315e+04   -2.97432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65540e+04   -2.44390e+06    4.80544e+05   -1.96335e+06    2.59959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.06318e+02    3.87536e+01    5.12627e-06

Writing checkpoint, step 243436100 at Wed Nov  8 13:01:28 2023



DD  step 243439999 load imb.: force 16.7%  pme mesh/force 0.741
           Step           Time
      243440000   486880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18530e+03    1.94156e+04    1.28781e+04    1.18619e+03   -3.09948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91515e+03    9.27263e+04    4.00758e+05   -2.34038e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64385e+04   -2.44813e+06    4.78868e+05   -1.96927e+06    2.59966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10459e+02   -2.07598e+02    3.82178e+01    4.99235e-06


DD  step 243444999 load imb.: force 17.0%  pme mesh/force 0.728
           Step           Time
      243445000   486890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02890e+03    1.94141e+04    1.29427e+04    1.09407e+03   -3.06676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81327e+03    9.29584e+04    4.00720e+05   -2.33203e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62896e+04   -2.44795e+06    4.79915e+05   -1.96803e+06    2.59971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.06121e+02   -4.66047e+01    4.98893e-06


DD  step 243449999 load imb.: force 14.4%  pme mesh/force 0.741
           Step           Time
      243450000   486900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19965e+03    1.94580e+04    1.30924e+04    1.14737e+03   -2.96428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86997e+03    9.23143e+04    4.00813e+05   -2.33858e+04   -2.97575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66979e+04   -2.44551e+06    4.80023e+05   -1.96548e+06    2.59977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.07279e+02    3.69053e+01    5.30362e-06


DD  step 243454999 load imb.: force 16.0%  pme mesh/force 0.720
           Step           Time
      243455000   486910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01336e+03    1.93029e+04    1.31332e+04    1.14395e+03   -3.02895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88835e+03    9.25302e+04    3.99572e+05   -2.34287e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65373e+04   -2.44690e+06    4.78632e+05   -1.96826e+06    2.59983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10305e+02   -2.08040e+02   -4.21523e+00    5.05880e-06


DD  step 243459999 load imb.: force 13.4%  pme mesh/force 0.706
           Step           Time
      243460000   486920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05957e+03    1.92809e+04    1.30291e+04    1.17571e+03   -3.09674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88897e+03    9.24263e+04    4.01355e+05   -2.33795e+04   -2.97896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63637e+04   -2.44886e+06    4.80688e+05   -1.96817e+06    2.59988e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11639e+02   -2.07169e+02    2.78432e+01    5.01121e-06


DD  step 243464999 load imb.: force 13.8%  pme mesh/force 0.694
           Step           Time
      243465000   486930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12055e+03    1.96891e+04    1.29492e+04    1.19857e+03   -3.14826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87212e+03    9.27823e+04    3.97760e+05   -2.33313e+04   -2.97148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66643e+04   -2.44392e+06    4.79799e+05   -1.96412e+06    2.59994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11063e+02   -2.06316e+02   -6.31929e+01    4.95797e-06


DD  step 243469999 load imb.: force 14.5%  pme mesh/force 0.676
           Step           Time
      243470000   486940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97618e+03    1.94448e+04    1.31310e+04    1.25592e+03   -3.10267e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79081e+03    9.21330e+04    3.99075e+05   -2.33923e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64642e+04   -2.44724e+06    4.78915e+05   -1.96832e+06    2.59999e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.07395e+02    2.03716e+01    5.01475e-06


DD  step 243474999 load imb.: force 14.1%  pme mesh/force 0.678
           Step           Time
      243475000   486950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80745e+03    1.91320e+04    1.29295e+04    1.18545e+03   -3.00942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85895e+03    9.28928e+04    4.01829e+05   -2.33924e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65009e+04   -2.44846e+06    4.78874e+05   -1.96958e+06    2.60005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10463e+02   -2.07397e+02    5.33297e+01    5.07322e-06


DD  step 243479999 load imb.: force 15.3%  pme mesh/force 0.699
           Step           Time
      243480000   486960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04338e+03    1.89667e+04    1.29443e+04    1.15515e+03   -2.89494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85777e+03    9.29168e+04    4.00788e+05   -2.33512e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63608e+04   -2.44703e+06    4.78884e+05   -1.96815e+06    2.60011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.06668e+02    2.04588e+01    5.10814e-06


DD  step 243484999 load imb.: force 15.2%  pme mesh/force 0.704
           Step           Time
      243485000   486970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06249e+03    1.94163e+04    1.30530e+04    1.16894e+03   -3.20821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79022e+03    9.23449e+04    4.02060e+05   -2.33921e+04   -2.98047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64849e+04   -2.44969e+06    4.76926e+05   -1.97277e+06    2.60018e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09200e+02   -2.07392e+02    1.65692e+01    4.86358e-06


DD  step 243489999 load imb.: force 12.4%  pme mesh/force 0.679
           Step           Time
      243490000   486980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93486e+03    1.89246e+04    1.31315e+04    1.24148e+03   -3.15411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86019e+03    9.27453e+04    4.01868e+05   -2.33811e+04   -2.97796e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63329e+04   -2.44746e+06    4.77830e+05   -1.96963e+06    2.60023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09785e+02   -2.07197e+02   -2.94708e+00    4.95297e-06


DD  step 243494999 load imb.: force 15.6%  pme mesh/force 0.695
           Step           Time
      243495000   486990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18152e+03    1.93893e+04    1.29403e+04    1.13962e+03   -3.00405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70080e+03    9.24742e+04    3.99276e+05   -2.33306e+04   -2.97398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64524e+04   -2.44576e+06    4.78608e+05   -1.96715e+06    2.60028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10290e+02   -2.06303e+02   -5.55515e+01    5.07604e-06


DD  step 243499999 load imb.: force 14.2%  pme mesh/force 0.706
           Step           Time
      243500000   487000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96813e+03    1.95280e+04    1.30405e+04    1.17302e+03   -3.04917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81425e+03    9.18043e+04    4.00602e+05   -2.34115e+04   -2.97920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64244e+04   -2.45031e+06    4.78877e+05   -1.97143e+06    2.60034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10465e+02   -2.07734e+02    2.13962e+00    5.21265e-06


DD  step 243504999 load imb.: force 16.6%  pme mesh/force 0.726
           Step           Time
      243505000   487010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06404e+03    1.92759e+04    1.30854e+04    1.14510e+03   -3.08034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90186e+03    9.21705e+04    4.00724e+05   -2.33587e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66470e+04   -2.44488e+06    4.79310e+05   -1.96557e+06    2.60040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10745e+02   -2.06799e+02    7.76421e+00    5.22079e-06


DD  step 243509999 load imb.: force 15.9%  pme mesh/force 0.726
           Step           Time
      243510000   487020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16473e+03    1.92392e+04    1.30340e+04    1.15377e+03   -3.06669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92494e+03    9.19855e+04    4.02422e+05   -2.34116e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64752e+04   -2.44942e+06    4.80010e+05   -1.96941e+06    2.60046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11199e+02   -2.07736e+02    2.99454e+01    5.09228e-06


DD  step 243514999 load imb.: force 13.6%  pme mesh/force 0.697
           Step           Time
      243515000   487030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99603e+03    1.94265e+04    1.32452e+04    1.17979e+03   -3.11415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92560e+03    9.27860e+04    3.99900e+05   -2.33394e+04   -2.97336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65665e+04   -2.44379e+06    4.79516e+05   -1.96427e+06    2.60052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.06459e+02    2.30055e+01    5.18511e-06


DD  step 243519999 load imb.: force 16.4%  pme mesh/force 0.724
           Step           Time
      243520000   487040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12011e+03    1.97792e+04    1.31085e+04    1.16149e+03   -2.98450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74856e+03    9.22976e+04    4.02092e+05   -2.33483e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66969e+04   -2.44458e+06    4.81547e+05   -1.96303e+06    2.60058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12196e+02   -2.06617e+02    5.37078e+01    5.03052e-06


DD  step 243524999 load imb.: force 16.2%  pme mesh/force 0.743
           Step           Time
      243525000   487050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01914e+03    1.89001e+04    1.29965e+04    1.13009e+03   -3.01360e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83909e+03    9.18608e+04    4.00884e+05   -2.33826e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64857e+04   -2.44876e+06    4.78680e+05   -1.97008e+06    2.60063e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10336e+02   -2.07222e+02   -6.37032e+00    4.99145e-06


DD  step 243529999 load imb.: force 16.6%  pme mesh/force 0.699
           Step           Time
      243530000   487060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06992e+03    1.93590e+04    1.30308e+04    1.11437e+03   -3.03729e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78923e+03    9.24420e+04    3.98971e+05   -2.33935e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65239e+04   -2.44715e+06    4.79918e+05   -1.96723e+06    2.60069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.07416e+02   -2.15794e+01    5.13282e-06


DD  step 243534999 load imb.: force 15.4%  pme mesh/force 0.705
           Step           Time
      243535000   487070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17438e+03    1.93697e+04    1.29436e+04    1.19564e+03   -3.02600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73547e+03    9.22957e+04    4.01828e+05   -2.34077e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63314e+04   -2.44555e+06    4.79673e+05   -1.96587e+06    2.60075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.07667e+02    9.51863e+00    4.99638e-06


DD  step 243539999 load imb.: force 17.0%  pme mesh/force 0.712
           Step           Time
      243540000   487080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21730e+03    1.89097e+04    1.31954e+04    1.19402e+03   -2.99709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81671e+03    9.21526e+04    3.99103e+05   -2.33314e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64259e+04   -2.44863e+06    4.79026e+05   -1.96961e+06    2.60081e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10561e+02   -2.06317e+02   -1.50656e+02    5.00888e-06


DD  step 243544999 load imb.: force 15.3%  pme mesh/force 0.741
           Step           Time
      243545000   487090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04491e+03    1.98662e+04    1.28870e+04    1.13830e+03   -3.07421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71708e+03    9.25002e+04    4.00455e+05   -2.34359e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65703e+04   -2.44804e+06    4.78851e+05   -1.96919e+06    2.60087e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10448e+02   -2.08168e+02   -8.61549e+00    5.03504e-06


DD  step 243549999 load imb.: force 16.8%  pme mesh/force 0.716
           Step           Time
      243550000   487100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87725e+03    2.00272e+04    1.31304e+04    1.21066e+03   -2.99259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84108e+03    9.21648e+04    4.02220e+05   -2.33868e+04   -2.97986e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66009e+04   -2.44817e+06    4.78787e+05   -1.96938e+06    2.60093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10406e+02   -2.07297e+02    3.59021e+01    4.86511e-06


DD  step 243554999 load imb.: force 16.0%  pme mesh/force 0.732
           Step           Time
      243555000   487110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.52705e+03    1.90742e+04    1.30892e+04    1.16290e+03   -2.97163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79460e+03    9.27641e+04    3.96753e+05   -2.33572e+04   -2.97224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63495e+04   -2.44605e+06    4.79943e+05   -1.96611e+06    2.60099e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11156e+02   -2.06773e+02   -1.81088e+02    5.01210e-06


DD  step 243559999 load imb.: force 14.7%  pme mesh/force 0.698
           Step           Time
      243560000   487120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72315e+03    1.91729e+04    1.29977e+04    1.28551e+03   -3.05476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81762e+03    9.25584e+04    4.03334e+05   -2.34095e+04   -2.98211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63084e+04   -2.45038e+06    4.80023e+05   -1.97035e+06    2.60104e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11208e+02   -2.07699e+02    4.14577e+01    5.07092e-06


DD  step 243564999 load imb.: force 14.6%  pme mesh/force 0.700
           Step           Time
      243565000   487130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07222e+03    1.93929e+04    1.31564e+04    1.25847e+03   -3.11393e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66539e+03    9.21389e+04    3.99076e+05   -2.33640e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66023e+04   -2.44952e+06    4.78443e+05   -1.97108e+06    2.60110e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10183e+02   -2.06894e+02   -1.10865e+02    4.91542e-06


DD  step 243569999 load imb.: force 15.0%  pme mesh/force 0.724
           Step           Time
      243570000   487140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83730e+03    1.95651e+04    1.29419e+04    1.15260e+03   -3.04872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82325e+03    9.24827e+04    3.99626e+05   -2.33538e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64684e+04   -2.44696e+06    4.79223e+05   -1.96774e+06    2.60115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.06714e+02   -4.64404e+01    5.03645e-06


DD  step 243574999 load imb.: force 14.0%  pme mesh/force 0.690
           Step           Time
      243575000   487150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02777e+03    1.95046e+04    1.30048e+04    1.22991e+03   -3.13689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93324e+03    9.18714e+04    4.01868e+05   -2.34016e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64918e+04   -2.44872e+06    4.80826e+05   -1.96790e+06    2.60121e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11728e+02   -2.07559e+02    4.87917e+01    5.06641e-06


DD  step 243579999 load imb.: force 15.4%  pme mesh/force 0.702
           Step           Time
      243580000   487160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89431e+03    1.94007e+04    1.31024e+04    1.18601e+03   -3.13159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90617e+03    9.25121e+04    4.01310e+05   -2.34260e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65925e+04   -2.44782e+06    4.80160e+05   -1.96766e+06    2.60127e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.07991e+02    6.27475e+01    4.80984e-06


DD  step 243584999 load imb.: force 14.2%  pme mesh/force 0.701
           Step           Time
      243585000   487170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03310e+03    1.92604e+04    1.29019e+04    1.21777e+03   -3.04273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81731e+03    9.22095e+04    4.02424e+05   -2.33526e+04   -2.98125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65155e+04   -2.45026e+06    4.78283e+05   -1.97198e+06    2.60133e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10079e+02   -2.06691e+02   -8.99921e+00    5.07203e-06


DD  step 243589999 load imb.: force 15.2%  pme mesh/force 0.691
           Step           Time
      243590000   487180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16044e+03    1.88892e+04    1.32023e+04    1.17695e+03   -3.11424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82223e+03    9.25155e+04    4.01291e+05   -2.33967e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63598e+04   -2.44725e+06    4.81128e+05   -1.96612e+06    2.60138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11924e+02   -2.07473e+02    1.95427e+01    5.01534e-06


DD  step 243594999 load imb.: force 14.4%  pme mesh/force 0.687
           Step           Time
      243595000   487190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96688e+03    1.96362e+04    1.30405e+04    1.24408e+03   -2.98867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67710e+03    9.28818e+04    4.02753e+05   -2.33906e+04   -2.98134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64324e+04   -2.44909e+06    4.79752e+05   -1.96934e+06    2.60145e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11032e+02   -2.07364e+02    2.78457e+01    5.13365e-06


DD  step 243599999 load imb.: force 15.5%  pme mesh/force 0.725
           Step           Time
      243600000   487200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84086e+03    1.94272e+04    1.31029e+04    1.04825e+03   -3.01928e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82238e+03    9.23586e+04    4.02055e+05   -2.33077e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63671e+04   -2.44849e+06    4.79119e+05   -1.96937e+06    2.60150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10621e+02   -2.05899e+02    1.54341e+01    5.05093e-06


DD  step 243604999 load imb.: force 13.7%  pme mesh/force 0.697
           Step           Time
      243605000   487210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05470e+03    1.94397e+04    1.32802e+04    1.25047e+03   -3.14031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74629e+03    9.26922e+04    3.99742e+05   -2.33411e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64128e+04   -2.44665e+06    4.79946e+05   -1.96670e+06    2.60156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11157e+02   -2.06489e+02   -2.88689e+01    5.13174e-06


DD  step 243609999 load imb.: force 16.0%  pme mesh/force 0.715
           Step           Time
      243610000   487220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17135e+03    1.93565e+04    1.32234e+04    1.22300e+03   -3.14542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82629e+03    9.24224e+04    4.02124e+05   -2.33679e+04   -2.97644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64548e+04   -2.44516e+06    4.79236e+05   -1.96592e+06    2.60162e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.06963e+02    6.37669e+01    5.02199e-06


DD  step 243614999 load imb.: force 15.1%  pme mesh/force 0.712
           Step           Time
      243615000   487230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91475e+03    1.93923e+04    1.31301e+04    1.07425e+03   -3.06396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85843e+03    9.24329e+04    3.99672e+05   -2.33595e+04   -2.97293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65447e+04   -2.44433e+06    4.80199e+05   -1.96413e+06    2.60167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.06814e+02    4.20137e+00    4.96791e-06


DD  step 243619999 load imb.: force 16.6%  pme mesh/force 0.709
           Step           Time
      243620000   487240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24100e+03    1.94583e+04    1.30545e+04    1.19384e+03   -3.19079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74849e+03    9.22834e+04    4.00276e+05   -2.34106e+04   -2.97620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64346e+04   -2.44711e+06    4.78473e+05   -1.96864e+06    2.60173e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10202e+02   -2.07718e+02   -3.98809e+01    4.95393e-06


DD  step 243624999 load imb.: force 13.3%  pme mesh/force 0.690
           Step           Time
      243625000   487250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10559e+03    1.99048e+04    1.32605e+04    1.19005e+03   -3.13781e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76396e+03    9.21018e+04    3.98146e+05   -2.33147e+04   -2.97161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65185e+04   -2.44407e+06    4.80529e+05   -1.96354e+06    2.60179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.06022e+02   -5.67364e+01    5.07012e-06


DD  step 243629999 load imb.: force 16.5%  pme mesh/force 0.727
           Step           Time
      243630000   487260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16893e+03    1.97105e+04    1.30886e+04    1.28707e+03   -3.13712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88080e+03    9.26141e+04    4.02152e+05   -2.34213e+04   -2.98020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64149e+04   -2.44844e+06    4.79575e+05   -1.96886e+06    2.60185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.07908e+02    2.37653e+01    5.13424e-06


DD  step 243634999 load imb.: force 13.5%  pme mesh/force 0.692
           Step           Time
      243635000   487270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10054e+03    1.94721e+04    1.31184e+04    1.17957e+03   -3.12964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78319e+03    9.28356e+04    4.01087e+05   -2.33928e+04   -2.97930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65198e+04   -2.44872e+06    4.80731e+05   -1.96799e+06    2.60190e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11667e+02   -2.07404e+02    6.32487e+00    5.13781e-06


DD  step 243639999 load imb.: force 14.5%  pme mesh/force 0.734
           Step           Time
      243640000   487280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90643e+03    1.95381e+04    1.30278e+04    1.11120e+03   -3.05679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71810e+03    9.22492e+04    4.01383e+05   -2.33407e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64849e+04   -2.44663e+06    4.78046e+05   -1.96858e+06    2.60196e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09926e+02   -2.06483e+02   -9.88632e+00    5.24306e-06


DD  step 243644999 load imb.: force 16.6%  pme mesh/force 0.725
           Step           Time
      243645000   487290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77262e+03    1.91828e+04    1.32925e+04    1.24909e+03   -3.04520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85663e+03    9.27614e+04    3.99493e+05   -2.33257e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64625e+04   -2.44673e+06    4.78456e+05   -1.96828e+06    2.60202e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10191e+02   -2.06218e+02   -4.75906e+01    5.36503e-06


DD  step 243649999 load imb.: force 15.1%  pme mesh/force 0.714
           Step           Time
      243650000   487300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.68429e+03    1.91023e+04    1.31986e+04    1.21548e+03   -3.03085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92146e+03    9.34209e+04    4.01451e+05   -2.33667e+04   -2.98086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64273e+04   -2.44984e+06    4.80605e+05   -1.96923e+06    2.60207e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11585e+02   -2.06941e+02    4.84053e+01    5.20687e-06


DD  step 243654999 load imb.: force 15.2%  pme mesh/force 0.721
           Step           Time
      243655000   487310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08578e+03    1.98862e+04    1.29531e+04    1.16965e+03   -2.99048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65867e+03    9.29809e+04    3.99528e+05   -2.33518e+04   -2.97361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65109e+04   -2.44418e+06    4.80478e+05   -1.96370e+06    2.60214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11502e+02   -2.06678e+02   -2.92107e+01    5.28414e-06


DD  step 243659999 load imb.: force 15.4%  pme mesh/force 0.733
           Step           Time
      243660000   487320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95481e+03    1.92578e+04    1.30890e+04    1.16058e+03   -3.03224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76740e+03    9.29049e+04    4.02338e+05   -2.33679e+04   -2.97953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66482e+04   -2.44781e+06    4.77362e+05   -1.97045e+06    2.60220e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09482e+02   -2.06962e+02    2.90771e+01    5.21671e-06


DD  step 243664999 load imb.: force 17.1%  pme mesh/force 0.765
           Step           Time
      243665000   487330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97001e+03    1.94652e+04    1.30214e+04    1.23375e+03   -3.02823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87271e+03    9.30675e+04    4.01464e+05   -2.33812e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62541e+04   -2.44805e+06    4.81688e+05   -1.96636e+06    2.60225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12287e+02   -2.07198e+02    6.05483e+01    5.10038e-06


DD  step 243669999 load imb.: force 15.6%  pme mesh/force 0.759
           Step           Time
      243670000   487340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82515e+03    1.92273e+04    1.32337e+04    1.17716e+03   -2.94638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82346e+03    9.23910e+04    4.02184e+05   -2.34033e+04   -2.98000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66817e+04   -2.44881e+06    4.78836e+05   -1.96997e+06    2.60231e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10438e+02   -2.07589e+02    4.17145e+01    5.09801e-06


DD  step 243674999 load imb.: force 14.5%  pme mesh/force 0.730
           Step           Time
      243675000   487350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02279e+03    1.94568e+04    1.31025e+04    1.10785e+03   -3.11201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77262e+03    9.26563e+04    4.00477e+05   -2.34027e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67375e+04   -2.44690e+06    4.77176e+05   -1.96973e+06    2.60237e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09362e+02   -2.07578e+02   -4.36511e+01    5.16974e-06


DD  step 243679999 load imb.: force 16.7%  pme mesh/force 0.735
           Step           Time
      243680000   487360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02811e+03    1.96902e+04    1.29946e+04    1.20587e+03   -3.12895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76733e+03    9.24955e+04    4.01345e+05   -2.33977e+04   -2.97744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63630e+04   -2.44708e+06    4.81280e+05   -1.96580e+06    2.60243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12022e+02   -2.07490e+02    2.11988e+01    5.26421e-06


DD  step 243684999 load imb.: force 13.8%  pme mesh/force 0.723
           Step           Time
      243685000   487370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05831e+03    1.97902e+04    1.31915e+04    1.17283e+03   -3.10188e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89327e+03    9.28293e+04    4.03834e+05   -2.33828e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63388e+04   -2.44452e+06    4.78691e+05   -1.96583e+06    2.60249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10344e+02   -2.07226e+02    1.33371e+02    5.23425e-06


DD  step 243689999 load imb.: force 15.8%  pme mesh/force 0.747
           Step           Time
      243690000   487380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23523e+03    1.94719e+04    1.31138e+04    1.24170e+03   -2.99160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71800e+03    9.25559e+04    3.99807e+05   -2.33755e+04   -2.97326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64477e+04   -2.44403e+06    4.80097e+05   -1.96394e+06    2.60254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11255e+02   -2.07097e+02   -1.11701e+01    5.20649e-06


DD  step 243694999 load imb.: force 15.2%  pme mesh/force 0.778
           Step           Time
      243695000   487390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03631e+03    1.97223e+04    1.33222e+04    1.18618e+03   -3.07906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93206e+03    9.31288e+04    4.00184e+05   -2.34093e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64476e+04   -2.44371e+06    4.79838e+05   -1.96388e+06    2.60260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11088e+02   -2.07696e+02    6.01042e+01    5.12209e-06


DD  step 243699999 load imb.: force 14.6%  pme mesh/force 0.738
           Step           Time
      243700000   487400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03601e+03    1.95700e+04    1.31764e+04    1.21794e+03   -3.12667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78110e+03    9.23406e+04    3.97689e+05   -2.34028e+04   -2.97282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64079e+04   -2.44614e+06    4.80883e+05   -1.96525e+06    2.60265e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11765e+02   -2.07581e+02   -1.59990e+01    5.27020e-06


DD  step 243704999 load imb.: force 15.7%  pme mesh/force 0.740
           Step           Time
      243705000   487410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91184e+03    1.94370e+04    1.30726e+04    1.16556e+03   -3.13836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95821e+03    9.24734e+04    3.99971e+05   -2.33739e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62750e+04   -2.44866e+06    4.79708e+05   -1.96895e+06    2.60272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11003e+02   -2.07069e+02    2.29755e+01    5.31572e-06


DD  step 243709999 load imb.: force 14.7%  pme mesh/force 0.724
           Step           Time
      243710000   487420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93125e+03    1.93462e+04    1.30620e+04    1.19023e+03   -3.04806e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.05140e+03    9.24215e+04    4.01389e+05   -2.34098e+04   -2.97933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64433e+04   -2.44895e+06    4.80499e+05   -1.96845e+06    2.60277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11516e+02   -2.07705e+02    8.96993e+01    5.15937e-06


DD  step 243714999 load imb.: force 14.0%  pme mesh/force 0.730
           Step           Time
      243715000   487430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91412e+03    1.95166e+04    1.32588e+04    1.21537e+03   -3.00048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79858e+03    9.24126e+04    4.01140e+05   -2.33724e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65990e+04   -2.44723e+06    4.79698e+05   -1.96754e+06    2.60283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10997e+02   -2.07042e+02    4.25981e+00    5.32599e-06


DD  step 243719999 load imb.: force 16.6%  pme mesh/force 0.751
           Step           Time
      243720000   487440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11552e+03    1.89298e+04    1.32734e+04    1.13889e+03   -3.07716e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78251e+03    9.27828e+04    4.01860e+05   -2.33638e+04   -2.97884e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65460e+04   -2.44785e+06    4.79114e+05   -1.96874e+06    2.60289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10618e+02   -2.06891e+02   -1.43983e+01    5.34426e-06


DD  step 243724999 load imb.: force 15.8%  pme mesh/force 0.754
           Step           Time
      243725000   487450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70789e+03    1.93389e+04    1.30925e+04    1.09713e+03   -3.06287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.05657e+03    9.26431e+04    4.00044e+05   -2.33789e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65164e+04   -2.44852e+06    4.78462e+05   -1.97006e+06    2.60294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10195e+02   -2.07158e+02    9.63280e+00    5.22886e-06


DD  step 243729999 load imb.: force 13.3%  pme mesh/force 0.714
           Step           Time
      243730000   487460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00160e+03    1.93745e+04    1.33642e+04    1.28797e+03   -3.12334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92351e+03    9.32333e+04    3.99411e+05   -2.33759e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66522e+04   -2.44540e+06    4.81026e+05   -1.96437e+06    2.60301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11858e+02   -2.07105e+02    2.04442e+01    5.32225e-06


DD  step 243734999 load imb.: force 16.4%  pme mesh/force 0.713
           Step           Time
      243735000   487470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92443e+03    1.94790e+04    1.31398e+04    1.21154e+03   -3.04219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95153e+03    9.20162e+04    4.00965e+05   -2.33630e+04   -2.97568e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62336e+04   -2.44617e+06    4.79678e+05   -1.96649e+06    2.60306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10984e+02   -2.06876e+02    4.72682e+01    5.16880e-06


DD  step 243739999 load imb.: force 15.5%  pme mesh/force 0.696
           Step           Time
      243740000   487480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37533e+03    1.94188e+04    1.31609e+04    1.20511e+03   -3.07980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79822e+03    9.26392e+04    3.99061e+05   -2.33506e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64570e+04   -2.44718e+06    4.79936e+05   -1.96725e+06    2.60312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11151e+02   -2.06657e+02   -6.59231e+01    5.19707e-06


DD  step 243744999 load imb.: force 16.9%  pme mesh/force 0.722
           Step           Time
      243745000   487490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15641e+03    1.95523e+04    1.32139e+04    1.14401e+03   -3.11950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84302e+03    9.25953e+04    4.01494e+05   -2.33879e+04   -2.97692e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64461e+04   -2.44598e+06    4.79734e+05   -1.96625e+06    2.60318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.07317e+02    4.38072e+01    5.31319e-06


DD  step 243749999 load imb.: force 15.6%  pme mesh/force 0.729
           Step           Time
      243750000   487500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09475e+03    1.94113e+04    1.31520e+04    1.21047e+03   -3.23828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83413e+03    9.26139e+04    4.01283e+05   -2.33734e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65954e+04   -2.44699e+06    4.78277e+05   -1.96871e+06    2.60324e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10076e+02   -2.07061e+02    1.36172e+01    5.28176e-06


DD  step 243754999 load imb.: force 14.3%  pme mesh/force 0.723
           Step           Time
      243755000   487510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70264e+03    1.98230e+04    1.31403e+04    1.18308e+03   -3.10802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98286e+03    9.21540e+04    4.01382e+05   -2.33748e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65454e+04   -2.44807e+06    4.78877e+05   -1.96919e+06    2.60329e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10465e+02   -2.07085e+02    7.37249e+01    5.32679e-06


DD  step 243759999 load imb.: force 16.8%  pme mesh/force 0.720
           Step           Time
      243760000   487520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98366e+03    1.94037e+04    1.31829e+04    1.18887e+03   -3.14607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87267e+03    9.24226e+04    3.98622e+05   -2.33979e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63254e+04   -2.44668e+06    4.79473e+05   -1.96720e+06    2.60335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10851e+02   -2.07494e+02   -2.42715e+01    5.26724e-06


DD  step 243764999 load imb.: force 14.5%  pme mesh/force 0.754
           Step           Time
      243765000   487530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05604e+03    1.94719e+04    1.32402e+04    1.19350e+03   -3.09130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80179e+03    9.22112e+04    4.03578e+05   -2.34045e+04   -2.98170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.44908e+06    4.79982e+05   -1.96910e+06    2.60341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11181e+02   -2.07611e+02    6.66794e+01    5.34975e-06


DD  step 243769999 load imb.: force 14.0%  pme mesh/force 0.704
           Step           Time
      243770000   487540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93972e+03    1.95183e+04    1.29376e+04    1.17325e+03   -3.18687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68905e+03    9.24946e+04    4.01051e+05   -2.33515e+04   -2.97607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66872e+04   -2.44612e+06    4.80347e+05   -1.96577e+06    2.60346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.06673e+02   -1.65643e+01    5.20244e-06


DD  step 243774999 load imb.: force 16.6%  pme mesh/force 0.743
           Step           Time
      243775000   487550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13282e+03    1.92274e+04    1.31573e+04    1.26340e+03   -3.16656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93686e+03    9.25688e+04    4.01131e+05   -2.33844e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65680e+04   -2.44551e+06    4.79933e+05   -1.96558e+06    2.60352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11149e+02   -2.07254e+02    1.25914e+01    5.30797e-06

Writing checkpoint, step 243779050 at Wed Nov  8 13:16:28 2023



DD  step 243779999 load imb.: force 16.0%  pme mesh/force 0.752
           Step           Time
      243780000   487560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04388e+03    1.92190e+04    1.32763e+04    1.21473e+03   -3.15280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87688e+03    9.25988e+04    3.98851e+05   -2.34148e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64029e+04   -2.44897e+06    4.79292e+05   -1.96967e+06    2.60358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10734e+02   -2.07793e+02   -3.73171e+01    5.26553e-06


DD  step 243784999 load imb.: force 13.6%  pme mesh/force 0.753
           Step           Time
      243785000   487570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97643e+03    1.93041e+04    1.31630e+04    1.15552e+03   -3.12189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76796e+03    9.25799e+04    4.02411e+05   -2.34278e+04   -2.97930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64925e+04   -2.44800e+06    4.79028e+05   -1.96897e+06    2.60364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10562e+02   -2.08024e+02    5.88210e+01    5.08107e-06


DD  step 243789999 load imb.: force 14.3%  pme mesh/force 0.713
           Step           Time
      243790000   487580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02804e+03    1.94425e+04    1.31979e+04    1.20205e+03   -3.14877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93882e+03    9.23586e+04    3.98981e+05   -2.34105e+04   -2.97512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63566e+04   -2.44718e+06    4.78665e+05   -1.96851e+06    2.60369e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10327e+02   -2.07717e+02   -5.26071e+01    5.17810e-06


DD  step 243794999 load imb.: force 17.0%  pme mesh/force 0.753
           Step           Time
      243795000   487590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09473e+03    1.92540e+04    1.30314e+04    1.15443e+03   -2.95927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87358e+03    9.24827e+04    4.01904e+05   -2.33761e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65655e+04   -2.44664e+06    4.81014e+05   -1.96563e+06    2.60375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11850e+02   -2.07107e+02    5.98793e+01    5.20621e-06


DD  step 243799999 load imb.: force 18.2%  pme mesh/force 0.757
           Step           Time
      243800000   487600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06185e+03    1.95997e+04    1.32192e+04    1.19471e+03   -3.03195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80195e+03    9.21106e+04    4.01107e+05   -2.33768e+04   -2.97639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62638e+04   -2.44644e+06    4.78837e+05   -1.96760e+06    2.60381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10438e+02   -2.07119e+02    3.35008e+01    5.20168e-06


DD  step 243804999 load imb.: force 15.2%  pme mesh/force 0.760
           Step           Time
      243805000   487610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09921e+03    1.92850e+04    1.30962e+04    1.19585e+03   -3.05698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88369e+03    9.24015e+04    4.00189e+05   -2.33896e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65426e+04   -2.44672e+06    4.78548e+05   -1.96817e+06    2.60387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10251e+02   -2.07346e+02   -4.15985e-01    5.26782e-06


DD  step 243809999 load imb.: force 16.3%  pme mesh/force 0.776
           Step           Time
      243810000   487620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03261e+03    1.91098e+04    1.32374e+04    1.18704e+03   -3.13696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93069e+03    9.29777e+04    4.02078e+05   -2.33745e+04   -2.98004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64908e+04   -2.44851e+06    4.78770e+05   -1.96974e+06    2.60393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10395e+02   -2.07079e+02    8.21163e+01    5.25425e-06


DD  step 243814999 load imb.: force 15.0%  pme mesh/force 0.737
           Step           Time
      243815000   487630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22724e+03    1.95152e+04    1.30001e+04    1.19598e+03   -3.05764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75633e+03    9.25534e+04    4.00245e+05   -2.34036e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64255e+04   -2.44769e+06    4.81218e+05   -1.96647e+06    2.60399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11982e+02   -2.07594e+02   -3.08914e+01    5.19177e-06


DD  step 243819999 load imb.: force 14.9%  pme mesh/force 0.743
           Step           Time
      243820000   487640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05643e+03    1.96844e+04    1.32240e+04    1.11247e+03   -3.12658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83528e+03    9.23221e+04    4.00483e+05   -2.34270e+04   -2.97457e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65390e+04   -2.44487e+06    4.80293e+05   -1.96457e+06    2.60404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11383e+02   -2.08009e+02    6.65546e+01    5.29835e-06


DD  step 243824999 load imb.: force 16.0%  pme mesh/force 0.754
           Step           Time
      243825000   487650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84362e+03    1.96495e+04    1.33136e+04    1.11403e+03   -3.11429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99247e+03    9.26690e+04    4.01097e+05   -2.34295e+04   -2.97610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64136e+04   -2.44556e+06    4.80747e+05   -1.96481e+06    2.60410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11677e+02   -2.08054e+02    1.31922e+02    5.19309e-06


DD  step 243829999 load imb.: force 15.0%  pme mesh/force 0.743
           Step           Time
      243830000   487660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04910e+03    1.90532e+04    1.32128e+04    1.26436e+03   -3.05001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91758e+03    9.26001e+04    3.99249e+05   -2.33488e+04   -2.97384e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64210e+04   -2.44548e+06    4.78743e+05   -1.96673e+06    2.60416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10377e+02   -2.06625e+02   -3.69774e+01    5.24922e-06


DD  step 243834999 load imb.: force 14.4%  pme mesh/force 0.727
           Step           Time
      243835000   487670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13590e+03    1.91176e+04    1.31702e+04    1.14507e+03   -3.06392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82015e+03    9.27359e+04    4.00814e+05   -2.33747e+04   -2.97860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65292e+04   -2.44858e+06    4.77523e+05   -1.97105e+06    2.60422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09587e+02   -2.07083e+02   -5.37759e+01    5.13407e-06


DD  step 243839999 load imb.: force 15.5%  pme mesh/force 0.769
           Step           Time
      243840000   487680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80177e+03    1.96473e+04    1.31887e+04    1.18820e+03   -3.09671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91922e+03    9.29475e+04    4.01999e+05   -2.34445e+04   -2.98104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64554e+04   -2.44943e+06    4.82657e+05   -1.96678e+06    2.60428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12915e+02   -2.08319e+02    1.28912e+02    5.29875e-06


DD  step 243844999 load imb.: force 15.7%  pme mesh/force 0.765
           Step           Time
      243845000   487690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27161e+03    1.95116e+04    1.29167e+04    1.10963e+03   -3.10365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95482e+03    9.34026e+04    4.01558e+05   -2.33752e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64506e+04   -2.44635e+06    4.82419e+05   -1.96393e+06    2.60434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12761e+02   -2.07091e+02    5.50441e+01    5.24294e-06


DD  step 243849999 load imb.: force 18.2%  pme mesh/force 0.789
           Step           Time
      243850000   487700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90834e+03    1.95077e+04    1.31428e+04    1.16868e+03   -3.04758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78751e+03    9.28649e+04    4.04060e+05   -2.33495e+04   -2.97960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65254e+04   -2.44603e+06    4.80198e+05   -1.96583e+06    2.60439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11321e+02   -2.06637e+02    9.01682e+01    5.31514e-06


DD  step 243854999 load imb.: force 17.6%  pme mesh/force 0.724
           Step           Time
      243855000   487710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96438e+03    1.93669e+04    1.31325e+04    1.17332e+03   -3.10817e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91110e+03    9.30413e+04    4.01033e+05   -2.33730e+04   -2.97842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66233e+04   -2.44766e+06    4.80104e+05   -1.96755e+06    2.60444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11260e+02   -2.07052e+02    2.65434e+01    5.51210e-06


DD  step 243859999 load imb.: force 16.5%  pme mesh/force 0.746
           Step           Time
      243860000   487720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96053e+03    1.93764e+04    1.31989e+04    1.18083e+03   -3.17438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86043e+03    9.26932e+04    4.04437e+05   -2.33968e+04   -2.98424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64841e+04   -2.45062e+06    4.79798e+05   -1.97082e+06    2.60450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11061e+02   -2.07475e+02    1.14611e+02    5.40986e-06


DD  step 243864999 load imb.: force 16.3%  pme mesh/force 0.781
           Step           Time
      243865000   487730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03021e+03    1.93339e+04    1.30962e+04    1.28982e+03   -3.05368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81515e+03    9.24486e+04    4.00071e+05   -2.33860e+04   -2.97758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65042e+04   -2.44843e+06    4.79152e+05   -1.96928e+06    2.60456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10643e+02   -2.07284e+02   -3.84167e+01    5.39340e-06


DD  step 243869999 load imb.: force 17.1%  pme mesh/force 0.770
           Step           Time
      243870000   487740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03116e+03    1.93979e+04    1.31676e+04    1.26080e+03   -3.09449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71997e+03    9.22879e+04    4.02197e+05   -2.33915e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66557e+04   -2.44510e+06    4.79905e+05   -1.96520e+06    2.60462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.07381e+02    9.15467e+01    5.41967e-06


DD  step 243874999 load imb.: force 14.7%  pme mesh/force 0.728
           Step           Time
      243875000   487750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15663e+03    1.92704e+04    1.29989e+04    1.18467e+03   -2.96529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76383e+03    9.24433e+04    3.98272e+05   -2.33287e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63901e+04   -2.44700e+06    4.81005e+05   -1.96600e+06    2.60467e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11844e+02   -2.06270e+02   -1.09619e+02    5.40700e-06


DD  step 243879999 load imb.: force 16.6%  pme mesh/force 0.771
           Step           Time
      243880000   487760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07681e+03    1.94248e+04    1.31115e+04    1.08686e+03   -3.06934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81988e+03    9.25929e+04    3.99974e+05   -2.33278e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66576e+04   -2.44574e+06    4.80722e+05   -1.96502e+06    2.60473e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11661e+02   -2.06253e+02   -2.72894e+01    5.43081e-06


DD  step 243884999 load imb.: force 15.3%  pme mesh/force 0.773
           Step           Time
      243885000   487770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21731e+03    1.95974e+04    1.31579e+04    1.29981e+03   -3.00910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75226e+03    9.22784e+04    3.97966e+05   -2.33976e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66075e+04   -2.44724e+06    4.77312e+05   -1.96993e+06    2.60479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09450e+02   -2.07489e+02   -1.14487e+02    5.41178e-06


DD  step 243889999 load imb.: force 14.9%  pme mesh/force 0.736
           Step           Time
      243890000   487780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02336e+03    1.91459e+04    1.30892e+04    1.27425e+03   -2.97320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73062e+03    9.22898e+04    4.01308e+05   -2.33904e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63149e+04   -2.44749e+06    4.79594e+05   -1.96789e+06    2.60484e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10929e+02   -2.07362e+02    2.57295e+00    5.39025e-06


DD  step 243894999 load imb.: force 16.0%  pme mesh/force 0.776
           Step           Time
      243895000   487790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17439e+03    1.97906e+04    1.31226e+04    1.19724e+03   -3.03062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86750e+03    9.25022e+04    3.99406e+05   -2.33755e+04   -2.97374e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66351e+04   -2.44446e+06    4.80422e+05   -1.96403e+06    2.60491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11466e+02   -2.07097e+02    6.40771e+00    5.24585e-06


DD  step 243899999 load imb.: force 14.9%  pme mesh/force 0.738
           Step           Time
      243900000   487800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78963e+03    1.91712e+04    1.31157e+04    1.20914e+03   -2.99577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80969e+03    9.26824e+04    4.00076e+05   -2.33671e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63945e+04   -2.44782e+06    4.80180e+05   -1.96764e+06    2.60496e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11310e+02   -2.06948e+02    2.03030e+01    5.29498e-06


DD  step 243904999 load imb.: force 15.6%  pme mesh/force 0.730
           Step           Time
      243905000   487810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00435e+03    1.97528e+04    1.32086e+04    1.23762e+03   -3.08552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85955e+03    9.19641e+04    4.01692e+05   -2.33340e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64750e+04   -2.44761e+06    4.81212e+05   -1.96640e+06    2.60502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11978e+02   -2.06364e+02   -2.00275e+01    5.34556e-06


DD  step 243909999 load imb.: force 15.1%  pme mesh/force 0.754
           Step           Time
      243910000   487820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75968e+03    1.97834e+04    1.31227e+04    1.16150e+03   -3.09815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74149e+03    9.20284e+04    3.99688e+05   -2.34026e+04   -2.97904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64517e+04   -2.45081e+06    4.79327e+05   -1.97148e+06    2.60508e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10756e+02   -2.07578e+02   -1.72747e+01    5.43170e-06


DD  step 243914999 load imb.: force 15.0%  pme mesh/force 0.759
           Step           Time
      243915000   487830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98419e+03    1.97816e+04    1.32357e+04    1.14018e+03   -3.02776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82273e+03    9.26685e+04    3.98447e+05   -2.34044e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64189e+04   -2.44780e+06    4.83229e+05   -1.96457e+06    2.60514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13286e+02   -2.07609e+02   -7.57256e+00    5.25115e-06


DD  step 243919999 load imb.: force 17.0%  pme mesh/force 0.763
           Step           Time
      243920000   487840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10357e+03    1.94098e+04    1.31419e+04    1.16804e+03   -2.97944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92744e+03    9.26692e+04    4.00123e+05   -2.34020e+04   -2.97769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64093e+04   -2.44812e+06    4.82452e+05   -1.96567e+06    2.60519e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12783e+02   -2.07566e+02    1.18628e+01    5.32355e-06


DD  step 243924999 load imb.: force 15.5%  pme mesh/force 0.777
           Step           Time
      243925000   487850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11638e+03    1.94711e+04    1.32442e+04    1.25067e+03   -3.03129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86238e+03    9.26448e+04    4.00180e+05   -2.33799e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65189e+04   -2.44518e+06    4.81424e+05   -1.96376e+06    2.60525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12116e+02   -2.07175e+02    4.16859e+00    5.29494e-06


DD  step 243929999 load imb.: force 16.1%  pme mesh/force 0.773
           Step           Time
      243930000   487860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13507e+03    1.95447e+04    1.32386e+04    1.21878e+03   -3.12630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77011e+03    9.19843e+04    3.99288e+05   -2.34092e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64374e+04   -2.44813e+06    4.81483e+05   -1.96665e+06    2.60531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12154e+02   -2.07695e+02   -6.36709e+01    5.38987e-06


DD  step 243934999 load imb.: force 15.3%  pme mesh/force 0.760
           Step           Time
      243935000   487870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05105e+03    1.93962e+04    1.30416e+04    1.17538e+03   -3.08305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86780e+03    9.25679e+04    3.96978e+05   -2.34133e+04   -2.97263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67180e+04   -2.44633e+06    4.79239e+05   -1.96709e+06    2.60537e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10699e+02   -2.07767e+02   -7.59076e+01    5.27611e-06


DD  step 243939999 load imb.: force 13.7%  pme mesh/force 0.749
           Step           Time
      243940000   487880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.66306e+03    1.96366e+04    1.32282e+04    1.18978e+03   -3.08917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93628e+03    9.23949e+04    3.99180e+05   -2.34024e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65566e+04   -2.44840e+06    4.77956e+05   -1.97044e+06    2.60543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09867e+02   -2.07573e+02   -1.45791e+01    5.34097e-06


DD  step 243944999 load imb.: force 16.0%  pme mesh/force 0.742
           Step           Time
      243945000   487890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10389e+03    1.95852e+04    1.31307e+04    1.23363e+03   -3.03001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80453e+03    9.23420e+04    3.99998e+05   -2.33815e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63046e+04   -2.44642e+06    4.79601e+05   -1.96682e+06    2.60548e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10934e+02   -2.07204e+02   -2.13292e+01    5.38258e-06


DD  step 243949999 load imb.: force 14.8%  pme mesh/force 0.705
           Step           Time
      243950000   487900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23135e+03    1.90811e+04    1.30954e+04    1.16866e+03   -2.99937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86386e+03    9.24467e+04    4.01497e+05   -2.33537e+04   -2.97951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67267e+04   -2.44875e+06    4.81524e+05   -1.96723e+06    2.60554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12181e+02   -2.06711e+02   -1.38772e+01    5.33647e-06


DD  step 243954999 load imb.: force 15.6%  pme mesh/force 0.718
           Step           Time
      243955000   487910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93399e+03    1.92318e+04    1.31936e+04    1.24294e+03   -3.05953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93040e+03    9.23798e+04    4.00938e+05   -2.34244e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63653e+04   -2.44616e+06    4.80832e+05   -1.96533e+06    2.60560e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11732e+02   -2.07964e+02    1.02566e+02    5.47432e-06


DD  step 243959999 load imb.: force 13.5%  pme mesh/force 0.735
           Step           Time
      243960000   487920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06401e+03    1.94103e+04    1.30125e+04    1.19743e+03   -3.07402e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83762e+03    9.24239e+04    4.03099e+05   -2.34109e+04   -2.97933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62371e+04   -2.44753e+06    4.80598e+05   -1.96693e+06    2.60566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11580e+02   -2.07724e+02    9.48254e+01    5.19272e-06


DD  step 243964999 load imb.: force 16.2%  pme mesh/force 0.714
           Step           Time
      243965000   487930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12227e+03    1.97912e+04    1.31126e+04    1.07736e+03   -3.15983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83760e+03    9.24160e+04    4.00521e+05   -2.33548e+04   -2.97827e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65046e+04   -2.44840e+06    4.80833e+05   -1.96757e+06    2.60572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11732e+02   -2.06731e+02   -4.76084e+01    5.35501e-06


DD  step 243969999 load imb.: force 16.8%  pme mesh/force 0.744
           Step           Time
      243970000   487940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17280e+03    1.92707e+04    1.31350e+04    1.11386e+03   -3.12223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74942e+03    9.28462e+04    4.00699e+05   -2.33901e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63848e+04   -2.44843e+06    4.77745e+05   -1.97069e+06    2.60578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09731e+02   -2.07356e+02    2.52359e+00    5.34476e-06


DD  step 243974999 load imb.: force 18.6%  pme mesh/force 0.777
           Step           Time
      243975000   487950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72124e+03    1.93247e+04    1.29936e+04    1.12631e+03   -3.04886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92469e+03    9.29282e+04    4.01375e+05   -2.33502e+04   -2.98102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64507e+04   -2.45058e+06    4.75385e+05   -1.97519e+06    2.60584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08200e+02   -2.06650e+02   -2.67613e+01    5.32145e-06


DD  step 243979999 load imb.: force 17.3%  pme mesh/force 0.765
           Step           Time
      243980000   487960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22871e+03    1.92358e+04    1.33081e+04    1.13008e+03   -3.07260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87096e+03    9.26285e+04    3.98082e+05   -2.33934e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64081e+04   -2.44757e+06    4.79737e+05   -1.96783e+06    2.60589e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11022e+02   -2.07414e+02   -8.07535e+01    5.37847e-06


DD  step 243984999 load imb.: force 15.5%  pme mesh/force 0.741
           Step           Time
      243985000   487970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21081e+03    1.92834e+04    1.30852e+04    1.16167e+03   -3.04967e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72658e+03    9.23713e+04    3.98168e+05   -2.33904e+04   -2.97332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64112e+04   -2.44634e+06    4.79583e+05   -1.96676e+06    2.60595e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10922e+02   -2.07360e+02   -1.06249e+02    5.39515e-06


DD  step 243989999 load imb.: force 15.0%  pme mesh/force 0.760
           Step           Time
      243990000   487980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13827e+03    1.96352e+04    1.30495e+04    1.15315e+03   -2.97787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78932e+03    9.23865e+04    3.96433e+05   -2.33233e+04   -2.96999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67401e+04   -2.44397e+06    4.80333e+05   -1.96363e+06    2.60601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.06174e+02   -1.62155e+02    5.42102e-06


DD  step 243994999 load imb.: force 16.8%  pme mesh/force 0.765
           Step           Time
      243995000   487990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93425e+03    1.91554e+04    1.30322e+04    1.22164e+03   -3.10561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90871e+03    9.29731e+04    4.01160e+05   -2.33843e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64753e+04   -2.44749e+06    4.81336e+05   -1.96615e+06    2.60606e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12059e+02   -2.07253e+02    5.07022e+01    5.41608e-06


DD  step 243999999 load imb.: force 15.6%  pme mesh/force 0.765
           Step           Time
      244000000   488000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89512e+03    1.95062e+04    1.30597e+04    1.22289e+03   -3.00178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96697e+03    9.28185e+04    4.02186e+05   -2.34448e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64537e+04   -2.44727e+06    4.81601e+05   -1.96567e+06    2.60613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12231e+02   -2.08325e+02    1.16530e+02    5.17196e-06


DD  step 244004999 load imb.: force 16.5%  pme mesh/force 0.741
           Step           Time
      244005000   488010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08597e+03    1.94237e+04    1.31515e+04    1.13626e+03   -3.04075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86391e+03    9.21709e+04    3.99789e+05   -2.33903e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64212e+04   -2.44518e+06    4.78751e+05   -1.96643e+06    2.60618e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10383e+02   -2.07359e+02   -2.25897e+00    5.20410e-06


DD  step 244009999 load imb.: force 17.8%  pme mesh/force 0.779
           Step           Time
      244010000   488020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74941e+03    1.94393e+04    1.30655e+04    1.12368e+03   -3.08621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93997e+03    9.32434e+04    3.97616e+05   -2.33552e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67526e+04   -2.44730e+06    4.81681e+05   -1.96562e+06    2.60623e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12283e+02   -2.06738e+02   -1.11823e+02    5.35584e-06


DD  step 244014999 load imb.: force 19.2%  pme mesh/force 0.785
           Step           Time
      244015000   488030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98576e+03    1.94978e+04    1.31013e+04    1.18533e+03   -2.94488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88148e+03    9.25715e+04    4.00389e+05   -2.33291e+04   -2.97575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64615e+04   -2.44595e+06    4.78327e+05   -1.96762e+06    2.60630e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10108e+02   -2.06277e+02    9.07858e+00    5.39533e-06


DD  step 244019999 load imb.: force 16.7%  pme mesh/force 0.755
           Step           Time
      244020000   488040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26729e+03    1.93169e+04    1.30701e+04    1.28545e+03   -2.98144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86532e+03    9.22882e+04    3.99345e+05   -2.33572e+04   -2.97265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63767e+04   -2.44418e+06    4.81431e+05   -1.96275e+06    2.60636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12120e+02   -2.06774e+02   -4.29779e+01    5.42562e-06


DD  step 244024999 load imb.: force 18.3%  pme mesh/force 0.782
           Step           Time
      244025000   488050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15770e+03    1.93201e+04    1.29485e+04    1.20216e+03   -3.00551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89645e+03    9.21493e+04    3.97896e+05   -2.33116e+04   -2.97237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64948e+04   -2.44563e+06    4.80564e+05   -1.96506e+06    2.60641e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11558e+02   -2.05968e+02   -7.93617e+01    5.44641e-06


DD  step 244029999 load imb.: force 16.6%  pme mesh/force 0.763
           Step           Time
      244030000   488060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94163e+03    1.95480e+04    1.31674e+04    1.14410e+03   -3.05929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82895e+03    9.23626e+04    4.00485e+05   -2.34095e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62951e+04   -2.44862e+06    4.80704e+05   -1.96792e+06    2.60647e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11649e+02   -2.07698e+02    3.70847e+01    5.45895e-06


DD  step 244034999 load imb.: force 17.8%  pme mesh/force 0.788
           Step           Time
      244035000   488070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05453e+03    1.93938e+04    1.32951e+04    1.15902e+03   -2.90955e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92409e+03    9.25883e+04    4.01053e+05   -2.34301e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64038e+04   -2.44636e+06    4.80188e+05   -1.96617e+06    2.60653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.08065e+02    1.07093e+02    5.58219e-06


DD  step 244039999 load imb.: force 17.0%  pme mesh/force 0.770
           Step           Time
      244040000   488080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07237e+03    1.92876e+04    1.31843e+04    1.22019e+03   -3.11270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82969e+03    9.27069e+04    3.95051e+05   -2.33808e+04   -2.97028e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66721e+04   -2.44575e+06    4.78377e+05   -1.96737e+06    2.60658e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10140e+02   -2.07190e+02   -1.09283e+02    5.49508e-06


DD  step 244044999 load imb.: force 18.3%  pme mesh/force 0.815
           Step           Time
      244045000   488090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96612e+03    1.94523e+04    1.29306e+04    1.19360e+03   -3.03197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76141e+03    9.22739e+04    4.02916e+05   -2.33642e+04   -2.97969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64010e+04   -2.44819e+06    4.80012e+05   -1.96818e+06    2.60664e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11200e+02   -2.06897e+02    3.87160e+01    5.46449e-06


DD  step 244049999 load imb.: force 18.6%  pme mesh/force 0.773
           Step           Time
      244050000   488100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26655e+03    1.95881e+04    1.29881e+04    1.08624e+03   -2.90245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70898e+03    9.22255e+04    3.98868e+05   -2.33570e+04   -2.97116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64549e+04   -2.44324e+06    4.79722e+05   -1.96351e+06    2.60670e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11013e+02   -2.06770e+02   -4.98292e+01    5.51727e-06


DD  step 244054999 load imb.: force 19.0%  pme mesh/force 0.802
           Step           Time
      244055000   488110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93935e+03    1.93730e+04    1.33164e+04    1.18086e+03   -3.12912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79390e+03    9.26428e+04    4.00051e+05   -2.33784e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64382e+04   -2.44840e+06    4.77858e+05   -1.97054e+06    2.60676e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09804e+02   -2.07149e+02   -1.71877e+01    5.20797e-06


DD  step 244059999 load imb.: force 17.6%  pme mesh/force 0.768
           Step           Time
      244060000   488120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86077e+03    1.97925e+04    1.31128e+04    1.15507e+03   -3.06706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91589e+03    9.25531e+04    4.00667e+05   -2.33372e+04   -2.97553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65461e+04   -2.44533e+06    4.77763e+05   -1.96757e+06    2.60682e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09742e+02   -2.06420e+02    3.92829e+01    5.32976e-06


DD  step 244064999 load imb.: force 17.5%  pme mesh/force 0.778
           Step           Time
      244065000   488130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88608e+03    1.98514e+04    1.32413e+04    1.19034e+03   -3.13501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78615e+03    9.24562e+04    3.98989e+05   -2.33695e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63366e+04   -2.44527e+06    4.79042e+05   -1.96623e+06    2.60688e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10572e+02   -2.06991e+02   -4.82033e+01    5.44187e-06


DD  step 244069999 load imb.: force 17.1%  pme mesh/force 0.767
           Step           Time
      244070000   488140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86108e+03    1.95175e+04    1.32516e+04    1.26025e+03   -3.03219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77787e+03    9.27541e+04    4.02956e+05   -2.34239e+04   -2.97993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64399e+04   -2.44757e+06    4.81008e+05   -1.96656e+06    2.60693e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11846e+02   -2.07955e+02    7.18305e+01    5.36712e-06


DD  step 244074999 load imb.: force 16.8%  pme mesh/force 0.757
           Step           Time
      244075000   488150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06574e+03    1.94266e+04    1.31205e+04    1.25221e+03   -3.15230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90493e+03    9.22082e+04    3.99666e+05   -2.33455e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65326e+04   -2.44715e+06    4.79763e+05   -1.96739e+06    2.60699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.06567e+02   -6.44425e+01    5.52636e-06


DD  step 244079999 load imb.: force 17.2%  pme mesh/force 0.757
           Step           Time
      244080000   488160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24482e+03    1.94237e+04    1.33207e+04    1.25030e+03   -3.08422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92677e+03    9.25927e+04    3.97988e+05   -2.33403e+04   -2.96999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66374e+04   -2.44203e+06    4.81882e+05   -1.96015e+06    2.60705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12413e+02   -2.06474e+02   -2.65750e+01    5.42899e-06


DD  step 244084999 load imb.: force 18.4%  pme mesh/force 0.788
           Step           Time
      244085000   488170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91090e+03    1.94494e+04    1.32590e+04    1.19523e+03   -3.07844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88623e+03    9.24975e+04    4.02993e+05   -2.34196e+04   -2.98110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63605e+04   -2.44904e+06    4.80338e+05   -1.96870e+06    2.60711e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11412e+02   -2.07879e+02    9.11530e+01    5.37091e-06


DD  step 244089999 load imb.: force 19.0%  pme mesh/force 0.755
           Step           Time
      244090000   488180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16947e+03    1.90380e+04    1.32740e+04    1.10753e+03   -3.11226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84964e+03    9.29622e+04    4.01731e+05   -2.33422e+04   -2.98160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64545e+04   -2.45047e+06    4.80916e+05   -1.96956e+06    2.60716e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11786e+02   -2.06509e+02   -3.81448e+01    5.56512e-06


DD  step 244094999 load imb.: force 19.0%  pme mesh/force 0.802
           Step           Time
      244095000   488190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24318e+03    1.94433e+04    1.29992e+04    1.16767e+03   -3.09867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72826e+03    9.24260e+04    3.99646e+05   -2.33930e+04   -2.97354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65660e+04   -2.44481e+06    4.80308e+05   -1.96450e+06    2.60722e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11392e+02   -2.07406e+02    1.48620e+01    5.52036e-06


DD  step 244099999 load imb.: force 16.8%  pme mesh/force 0.774
           Step           Time
      244100000   488200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95512e+03    1.92417e+04    1.32498e+04    1.20593e+03   -3.07422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94411e+03    9.19198e+04    4.02563e+05   -2.33633e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63919e+04   -2.44906e+06    4.78660e+05   -1.97040e+06    2.60729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10324e+02   -2.06881e+02    6.38240e+01    5.57789e-06


DD  step 244104999 load imb.: force 17.8%  pme mesh/force 0.743
           Step           Time
      244105000   488210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22650e+03    1.97423e+04    1.33316e+04    1.19449e+03   -3.12127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81132e+03    9.20532e+04    4.01173e+05   -2.33909e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64663e+04   -2.44647e+06    4.79836e+05   -1.96663e+06    2.60735e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11086e+02   -2.07371e+02    4.09935e+01    5.27870e-06


DD  step 244109999 load imb.: force 17.9%  pme mesh/force 0.746
           Step           Time
      244110000   488220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97760e+03    1.96642e+04    1.31776e+04    1.22737e+03   -3.04827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71971e+03    9.22241e+04    3.97910e+05   -2.33669e+04   -2.97409e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66087e+04   -2.44700e+06    4.79237e+05   -1.96776e+06    2.60740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10698e+02   -2.06946e+02   -8.40695e+01    5.34837e-06

Writing checkpoint, step 244113650 at Wed Nov  8 13:31:28 2023



DD  step 244114999 load imb.: force 18.3%  pme mesh/force 0.778
           Step           Time
      244115000   488230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98052e+03    1.96344e+04    1.32269e+04    1.09545e+03   -3.04001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79981e+03    9.25622e+04    3.99357e+05   -2.33880e+04   -2.97396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66874e+04   -2.44504e+06    4.79100e+05   -1.96594e+06    2.60746e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10609e+02   -2.07319e+02   -2.17468e+01    5.42792e-06


DD  step 244119999 load imb.: force 18.2%  pme mesh/force 0.774
           Step           Time
      244120000   488240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07531e+03    1.96594e+04    1.31343e+04    1.22311e+03   -3.13814e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85438e+03    9.20632e+04    4.00866e+05   -2.34087e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64650e+04   -2.44508e+06    4.79630e+05   -1.96545e+06    2.60751e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10952e+02   -2.07684e+02    6.77149e+01    5.54039e-06


DD  step 244124999 load imb.: force 16.9%  pme mesh/force 0.748
           Step           Time
      244125000   488250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18456e+03    1.96735e+04    1.31162e+04    1.30204e+03   -3.13750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74565e+03    9.22969e+04    4.03938e+05   -2.34013e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65879e+04   -2.44396e+06    4.79691e+05   -1.96427e+06    2.60758e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10992e+02   -2.07554e+02    1.23473e+02    5.58418e-06


DD  step 244129999 load imb.: force 16.9%  pme mesh/force 0.761
           Step           Time
      244130000   488260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05212e+03    1.98319e+04    1.32087e+04    1.17532e+03   -3.07062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89541e+03    9.24128e+04    4.03134e+05   -2.34033e+04   -2.98180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65081e+04   -2.44906e+06    4.81944e+05   -1.96712e+06    2.60763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12453e+02   -2.07590e+02    9.23651e+01    5.44523e-06


DD  step 244134999 load imb.: force 16.7%  pme mesh/force 0.784
           Step           Time
      244135000   488270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03834e+03    1.94594e+04    1.30769e+04    1.22001e+03   -3.05419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88649e+03    9.28611e+04    4.00423e+05   -2.33764e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66390e+04   -2.44642e+06    4.80117e+05   -1.96630e+06    2.60769e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.07113e+02   -2.45753e+01    5.46598e-06


DD  step 244139999 load imb.: force 20.3%  pme mesh/force 0.768
           Step           Time
      244140000   488280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06352e+03    1.91543e+04    1.31109e+04    1.18195e+03   -3.05497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80825e+03    9.24734e+04    3.99172e+05   -2.34031e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67165e+04   -2.44810e+06    4.81640e+05   -1.96646e+06    2.60774e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12256e+02   -2.07586e+02   -2.03354e+01    5.56614e-06


DD  step 244144999 load imb.: force 19.5%  pme mesh/force 0.795
           Step           Time
      244145000   488290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38116e+03    1.96905e+04    1.31251e+04    1.27789e+03   -3.12026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82950e+03    9.26004e+04    3.99210e+05   -2.33499e+04   -2.97286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67917e+04   -2.44342e+06    4.80659e+05   -1.96276e+06    2.60781e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11620e+02   -2.06645e+02    1.03241e+01    5.53464e-06


DD  step 244149999 load imb.: force 17.5%  pme mesh/force 0.731
           Step           Time
      244150000   488300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84947e+03    1.94144e+04    1.30319e+04    1.12677e+03   -3.06906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81148e+03    9.27150e+04    3.98759e+05   -2.34018e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64809e+04   -2.44818e+06    4.79121e+05   -1.96906e+06    2.60786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10623e+02   -2.07562e+02   -4.78171e+01    5.45216e-06


DD  step 244154999 load imb.: force 18.5%  pme mesh/force 0.780
           Step           Time
      244155000   488310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25348e+03    1.94374e+04    1.31904e+04    1.15496e+03   -3.02454e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82259e+03    9.25124e+04    4.01895e+05   -2.33928e+04   -2.98047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65211e+04   -2.44910e+06    4.79135e+05   -1.96997e+06    2.60793e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10632e+02   -2.07404e+02   -3.04182e+01    5.33554e-06


DD  step 244159999 load imb.: force 18.6%  pme mesh/force 0.772
           Step           Time
      244160000   488320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91016e+03    1.93283e+04    1.31346e+04    1.20418e+03   -3.07409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68288e+03    9.25455e+04    4.02020e+05   -2.34245e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64267e+04   -2.45007e+06    4.79407e+05   -1.97067e+06    2.60798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10808e+02   -2.07966e+02    1.07733e+01    5.50294e-06


DD  step 244164999 load imb.: force 16.2%  pme mesh/force 0.753
           Step           Time
      244165000   488330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00167e+03    1.96919e+04    1.32062e+04    1.19974e+03   -3.06169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92936e+03    9.24937e+04    4.01632e+05   -2.34051e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66947e+04   -2.44542e+06    4.79955e+05   -1.96546e+06    2.60805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11164e+02   -2.07621e+02    8.40758e+01    5.37489e-06


DD  step 244169999 load imb.: force 16.2%  pme mesh/force 0.740
           Step           Time
      244170000   488340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96088e+03    1.95430e+04    1.31991e+04    1.19537e+03   -2.96905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83113e+03    9.25518e+04    4.03809e+05   -2.34273e+04   -2.98038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65741e+04   -2.44711e+06    4.79482e+05   -1.96763e+06    2.60810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.08014e+02    1.72418e+02    5.50789e-06


DD  step 244174999 load imb.: force 17.4%  pme mesh/force 0.768
           Step           Time
      244175000   488350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.31635e+03    1.93711e+04    1.29973e+04    1.13116e+03   -2.98290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87505e+03    9.23630e+04    4.00528e+05   -2.33511e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65812e+04   -2.44751e+06    4.79569e+05   -1.96794e+06    2.60816e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10913e+02   -2.06666e+02   -4.24790e+01    5.31202e-06


DD  step 244179999 load imb.: force 16.9%  pme mesh/force 0.767
           Step           Time
      244180000   488360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96313e+03    1.97324e+04    1.30685e+04    1.20331e+03   -3.10990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89299e+03    9.28799e+04    3.99950e+05   -2.34257e+04   -2.97832e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65285e+04   -2.44863e+06    4.79728e+05   -1.96890e+06    2.60822e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11016e+02   -2.07986e+02   -1.74723e+01    5.32514e-06


DD  step 244184999 load imb.: force 18.1%  pme mesh/force 0.776
           Step           Time
      244185000   488370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75304e+03    1.96108e+04    1.31498e+04    1.10574e+03   -3.01030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98543e+03    9.25986e+04    3.97852e+05   -2.34218e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64386e+04   -2.44733e+06    4.78623e+05   -1.96871e+06    2.60827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10300e+02   -2.07917e+02   -6.73328e+01    5.44245e-06


DD  step 244189999 load imb.: force 19.4%  pme mesh/force 0.797
           Step           Time
      244190000   488380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12124e+03    1.94660e+04    1.29115e+04    1.03908e+03   -2.96892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80314e+03    9.27258e+04    4.02002e+05   -2.33530e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64588e+04   -2.44531e+06    4.79796e+05   -1.96552e+06    2.60833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.06700e+02    9.51172e+01    5.44372e-06


DD  step 244194999 load imb.: force 18.4%  pme mesh/force 0.791
           Step           Time
      244195000   488390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12231e+03    1.93317e+04    1.32080e+04    1.10047e+03   -3.15414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82357e+03    9.32094e+04    3.97724e+05   -2.33990e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65018e+04   -2.44672e+06    4.80246e+05   -1.96647e+06    2.60839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11352e+02   -2.07514e+02   -3.14412e+01    5.55355e-06


DD  step 244199999 load imb.: force 19.0%  pme mesh/force 0.751
           Step           Time
      244200000   488400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19941e+03    1.93544e+04    1.32522e+04    1.11968e+03   -3.07958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89054e+03    9.28350e+04    3.97400e+05   -2.33291e+04   -2.97257e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66676e+04   -2.44526e+06    4.78122e+05   -1.96714e+06    2.60845e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09975e+02   -2.06277e+02   -6.42446e+01    5.31968e-06


DD  step 244204999 load imb.: force 21.0%  pme mesh/force 0.776
           Step           Time
      244205000   488410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99903e+03    1.94358e+04    1.31463e+04    1.15021e+03   -3.02683e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84432e+03    9.30975e+04    4.02065e+05   -2.33867e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67319e+04   -2.44492e+06    4.79589e+05   -1.96533e+06    2.60851e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10926e+02   -2.07295e+02    7.90922e+01    5.23240e-06


DD  step 244209999 load imb.: force 19.2%  pme mesh/force 0.795
           Step           Time
      244210000   488420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86733e+03    1.93769e+04    1.31511e+04    1.28984e+03   -3.10941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73562e+03    9.29673e+04    3.99714e+05   -2.33311e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65579e+04   -2.45045e+06    4.78999e+05   -1.97146e+06    2.60857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10543e+02   -2.06313e+02   -9.39838e+01    5.34545e-06


DD  step 244214999 load imb.: force 16.7%  pme mesh/force 0.770
           Step           Time
      244215000   488430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13961e+03    1.91393e+04    1.32649e+04    1.10368e+03   -3.12632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81920e+03    9.25582e+04    4.02508e+05   -2.34096e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63106e+04   -2.44853e+06    4.78305e+05   -1.97023e+06    2.60862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10094e+02   -2.07701e+02    3.73361e+01    5.50301e-06


DD  step 244219999 load imb.: force 17.1%  pme mesh/force 0.749
           Step           Time
      244220000   488440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00708e+03    1.93535e+04    1.31918e+04    1.23195e+03   -2.99764e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62759e+03    9.23802e+04    4.01650e+05   -2.33661e+04   -2.98030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63953e+04   -2.44982e+06    4.80097e+05   -1.96972e+06    2.60868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11256e+02   -2.06930e+02   -7.85409e+01    5.35134e-06


DD  step 244224999 load imb.: force 18.4%  pme mesh/force 0.798
           Step           Time
      244225000   488450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01973e+03    1.96279e+04    1.30775e+04    1.27278e+03   -3.08183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71805e+03    9.26055e+04    4.02683e+05   -2.34195e+04   -2.97918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66616e+04   -2.44702e+06    4.78301e+05   -1.96872e+06    2.60874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.07877e+02    8.13954e+01    5.41253e-06


DD  step 244229999 load imb.: force 18.0%  pme mesh/force 0.805
           Step           Time
      244230000   488460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96555e+03    1.96015e+04    1.31464e+04    1.21313e+03   -3.00258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75875e+03    9.26418e+04    4.01889e+05   -2.34053e+04   -2.97812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65473e+04   -2.44677e+06    4.79084e+05   -1.96769e+06    2.60881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.07625e+02    5.43716e+01    5.47746e-06


DD  step 244234999 load imb.: force 19.8%  pme mesh/force 0.801
           Step           Time
      244235000   488470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80877e+03    1.95576e+04    1.30537e+04    1.20651e+03   -2.98808e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95321e+03    9.27727e+04    4.01412e+05   -2.33830e+04   -2.97892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66477e+04   -2.44788e+06    4.78950e+05   -1.96893e+06    2.60886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10512e+02   -2.07229e+02    4.33156e+01    5.18475e-06


DD  step 244239999 load imb.: force 19.3%  pme mesh/force 0.792
           Step           Time
      244240000   488480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32664e+03    1.94759e+04    1.32244e+04    1.24843e+03   -3.14595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64628e+03    9.24493e+04    3.97820e+05   -2.34496e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65612e+04   -2.44887e+06    4.80004e+05   -1.96886e+06    2.60892e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11195e+02   -2.08410e+02   -9.04977e+01    5.47544e-06


DD  step 244244999 load imb.: force 17.9%  pme mesh/force 0.786
           Step           Time
      244245000   488490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92750e+03    1.97761e+04    1.32547e+04    1.21087e+03   -3.02353e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72973e+03    9.28781e+04    3.97770e+05   -2.33328e+04   -2.97433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66476e+04   -2.44649e+06    4.78700e+05   -1.96779e+06    2.60898e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10350e+02   -2.06343e+02   -1.16166e+02    5.43322e-06


DD  step 244249999 load imb.: force 17.8%  pme mesh/force 0.765
           Step           Time
      244250000   488500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93492e+03    1.93942e+04    1.31544e+04    1.08126e+03   -3.05193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83419e+03    9.28259e+04    3.99558e+05   -2.33751e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65516e+04   -2.44682e+06    4.78546e+05   -1.96828e+06    2.60904e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10250e+02   -2.07090e+02   -3.34312e+01    5.33181e-06


DD  step 244254999 load imb.: force 20.2%  pme mesh/force 0.748
           Step           Time
      244255000   488510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01688e+03    1.94779e+04    1.31125e+04    1.10364e+03   -3.09243e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88567e+03    9.28677e+04    3.97280e+05   -2.33172e+04   -2.97226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64458e+04   -2.44548e+06    4.81163e+05   -1.96432e+06    2.60909e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11946e+02   -2.06067e+02   -1.04382e+02    5.27810e-06


DD  step 244259999 load imb.: force 18.7%  pme mesh/force 0.798
           Step           Time
      244260000   488520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92692e+03    1.92939e+04    1.30444e+04    1.19397e+03   -2.99066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81129e+03    9.29997e+04    3.97782e+05   -2.33544e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64705e+04   -2.44816e+06    4.80686e+05   -1.96747e+06    2.60915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11637e+02   -2.06724e+02   -1.05724e+02    5.26708e-06


DD  step 244264999 load imb.: force 18.8%  pme mesh/force 0.772
           Step           Time
      244265000   488530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78112e+03    1.96049e+04    1.31421e+04    1.14097e+03   -3.11673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81865e+03    9.25200e+04    3.99839e+05   -2.33884e+04   -2.97666e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65129e+04   -2.44781e+06    4.81886e+05   -1.96592e+06    2.60921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12415e+02   -2.07325e+02    1.08946e+01    5.43882e-06


DD  step 244269999 load imb.: force 18.1%  pme mesh/force 0.820
           Step           Time
      244270000   488540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17749e+03    1.94642e+04    1.31150e+04    1.23979e+03   -3.01182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74429e+03    9.22055e+04    4.00132e+05   -2.33719e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61406e+04   -2.44916e+06    4.79622e+05   -1.96954e+06    2.60927e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10947e+02   -2.07033e+02   -2.60455e+01    5.34641e-06


DD  step 244274999 load imb.: force 18.5%  pme mesh/force 0.792
           Step           Time
      244275000   488550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98855e+03    1.94986e+04    1.29719e+04    1.18945e+03   -2.99829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79001e+03    9.26379e+04    4.01317e+05   -2.33464e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66375e+04   -2.44636e+06    4.77740e+05   -1.96862e+06    2.60933e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09727e+02   -2.06583e+02   -5.93974e+00    5.50351e-06


DD  step 244279999 load imb.: force 18.3%  pme mesh/force 0.752
           Step           Time
      244280000   488560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85618e+03    1.90022e+04    1.30461e+04    1.15836e+03   -3.07151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00359e+03    9.31278e+04    3.99504e+05   -2.34054e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64726e+04   -2.44707e+06    4.79665e+05   -1.96740e+06    2.60939e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10975e+02   -2.07627e+02    3.12187e+01    5.40357e-06


DD  step 244284999 load imb.: force 16.4%  pme mesh/force 0.766
           Step           Time
      244285000   488570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18123e+03    1.92892e+04    1.31815e+04    1.16021e+03   -3.04937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85966e+03    9.27926e+04    4.03966e+05   -2.34297e+04   -2.98054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65807e+04   -2.44701e+06    4.78705e+05   -1.96831e+06    2.60945e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10353e+02   -2.08057e+02    1.11899e+02    5.38076e-06


DD  step 244289999 load imb.: force 18.5%  pme mesh/force 0.794
           Step           Time
      244290000   488580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69862e+03    1.93740e+04    1.32671e+04    1.13476e+03   -3.15937e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82734e+03    9.28562e+04    4.01277e+05   -2.34238e+04   -2.97972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64708e+04   -2.44939e+06    4.79544e+05   -1.96985e+06    2.60950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10897e+02   -2.07953e+02    1.02022e+01    5.20985e-06


DD  step 244294999 load imb.: force 19.5%  pme mesh/force 0.804
           Step           Time
      244295000   488590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76398e+03    1.93998e+04    1.32732e+04    1.18142e+03   -2.99456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86277e+03    9.29659e+04    3.98740e+05   -2.33777e+04   -2.97528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65451e+04   -2.44692e+06    4.81321e+05   -1.96560e+06    2.60956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12049e+02   -2.07136e+02   -4.58966e+01    5.51296e-06


DD  step 244299999 load imb.: force 20.9%  pme mesh/force 0.814
           Step           Time
      244300000   488600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94414e+03    1.93719e+04    1.31395e+04    1.17061e+03   -3.03461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85269e+03    9.26248e+04    4.00683e+05   -2.33608e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65955e+04   -2.44681e+06    4.80605e+05   -1.96620e+06    2.60962e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11585e+02   -2.06837e+02    3.22071e+01    5.42178e-06


DD  step 244304999 load imb.: force 18.6%  pme mesh/force 0.801
           Step           Time
      244305000   488610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86035e+03    1.92013e+04    1.31459e+04    1.19698e+03   -3.06987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90865e+03    9.36109e+04    4.03468e+05   -2.33955e+04   -2.98164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66226e+04   -2.44809e+06    4.81396e+05   -1.96669e+06    2.60968e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12097e+02   -2.07451e+02    9.65326e+01    5.54625e-06


DD  step 244309999 load imb.: force 18.8%  pme mesh/force 0.774
           Step           Time
      244310000   488620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98305e+03    1.92301e+04    1.31725e+04    1.21406e+03   -3.04239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83879e+03    9.29774e+04    3.99089e+05   -2.34100e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65948e+04   -2.44822e+06    4.78396e+05   -1.96982e+06    2.60974e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10153e+02   -2.07708e+02   -1.16919e+00    5.57549e-06


DD  step 244314999 load imb.: force 16.7%  pme mesh/force 0.781
           Step           Time
      244315000   488630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04256e+03    1.93111e+04    1.31285e+04    1.14698e+03   -3.02331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95476e+03    9.29075e+04    4.03090e+05   -2.34306e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66599e+04   -2.44568e+06    4.81399e+05   -1.96428e+06    2.60980e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12099e+02   -2.08074e+02    1.47840e+02    5.36046e-06


DD  step 244319999 load imb.: force 17.7%  pme mesh/force 0.776
           Step           Time
      244320000   488640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93008e+03    1.91200e+04    1.31788e+04    1.14989e+03   -3.16991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86167e+03    9.24988e+04    4.00467e+05   -2.33786e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64994e+04   -2.44958e+06    4.80615e+05   -1.96897e+06    2.60986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11591e+02   -2.07152e+02   -1.78032e+01    5.33538e-06


DD  step 244324999 load imb.: force 18.3%  pme mesh/force 0.772
           Step           Time
      244325000   488650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76410e+03    1.96339e+04    1.30467e+04    1.23330e+03   -3.14619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88118e+03    9.26529e+04    4.02522e+05   -2.34073e+04   -2.98057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64402e+04   -2.44895e+06    4.80471e+05   -1.96848e+06    2.60992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11498e+02   -2.07660e+02    6.89355e+01    5.36385e-06


DD  step 244329999 load imb.: force 20.5%  pme mesh/force 0.801
           Step           Time
      244330000   488660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81416e+03    1.93995e+04    1.30182e+04    1.17455e+03   -3.04684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75485e+03    9.29975e+04    4.02476e+05   -2.33976e+04   -2.98112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66431e+04   -2.44929e+06    4.79377e+05   -1.96991e+06    2.60997e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10788e+02   -2.07488e+02    9.26471e+00    5.45179e-06


DD  step 244334999 load imb.: force 20.6%  pme mesh/force 0.783
           Step           Time
      244335000   488670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06352e+03    1.94746e+04    1.31315e+04    1.14526e+03   -3.14293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85324e+03    9.30332e+04    3.99280e+05   -2.33914e+04   -2.97366e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64705e+04   -2.44474e+06    4.78462e+05   -1.96628e+06    2.61003e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10195e+02   -2.07379e+02    1.15243e+01    5.48830e-06


DD  step 244339999 load imb.: force 17.2%  pme mesh/force 0.741
           Step           Time
      244340000   488680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12665e+03    1.91710e+04    1.30802e+04    1.24484e+03   -3.05025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67159e+03    9.24326e+04    4.02582e+05   -2.33454e+04   -2.98183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64903e+04   -2.45043e+06    4.78790e+05   -1.97164e+06    2.61009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10408e+02   -2.06565e+02    1.60701e+01    5.38368e-06


DD  step 244344999 load imb.: force 16.7%  pme mesh/force 0.782
           Step           Time
      244345000   488690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22865e+03    1.93614e+04    1.31047e+04    1.26441e+03   -3.11504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76620e+03    9.31628e+04    4.00694e+05   -2.33830e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65438e+04   -2.44616e+06    4.78577e+05   -1.96759e+06    2.61015e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10270e+02   -2.07231e+02   -8.23135e-01    5.40840e-06


DD  step 244349999 load imb.: force 18.4%  pme mesh/force 0.743
           Step           Time
      244350000   488700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96787e+03    1.92170e+04    1.32168e+04    1.18319e+03   -3.09582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96078e+03    9.29382e+04    3.98282e+05   -2.34832e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63794e+04   -2.44734e+06    4.79443e+05   -1.96790e+06    2.61021e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.09007e+02    1.01156e+01    5.39940e-06


DD  step 244354999 load imb.: force 18.4%  pme mesh/force 0.785
           Step           Time
      244355000   488710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85513e+03    1.89109e+04    1.30661e+04    1.14249e+03   -3.05502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97247e+03    9.33229e+04    4.04999e+05   -2.34066e+04   -2.98252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64065e+04   -2.44830e+06    4.79124e+05   -1.96918e+06    2.61026e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10625e+02   -2.07649e+02    1.33283e+02    5.36967e-06


DD  step 244359999 load imb.: force 19.6%  pme mesh/force 0.766
           Step           Time
      244360000   488720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88640e+03    1.92231e+04    1.32270e+04    1.19531e+03   -3.06914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81786e+03    9.28265e+04    4.01356e+05   -2.33464e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66727e+04   -2.44707e+06    4.79511e+05   -1.96756e+06    2.61032e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.06583e+02   -1.92553e+01    5.39110e-06


DD  step 244364999 load imb.: force 19.9%  pme mesh/force 0.789
           Step           Time
      244365000   488730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02093e+03    1.90954e+04    1.30106e+04    1.26805e+03   -3.03262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66035e+03    9.28061e+04    4.01171e+05   -2.34222e+04   -2.98003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63795e+04   -2.45007e+06    4.78366e+05   -1.97171e+06    2.61038e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10133e+02   -2.07925e+02   -2.92675e+01    5.42847e-06


DD  step 244369999 load imb.: force 17.6%  pme mesh/force 0.734
           Step           Time
      244370000   488740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07435e+03    1.92137e+04    1.31080e+04    1.21447e+03   -2.98898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82542e+03    9.23954e+04    3.98045e+05   -2.33845e+04   -2.97416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61969e+04   -2.44746e+06    4.78901e+05   -1.96856e+06    2.61044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.07257e+02   -8.37804e+01    5.30390e-06


DD  step 244374999 load imb.: force 21.0%  pme mesh/force 0.794
           Step           Time
      244375000   488750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97063e+03    1.94879e+04    1.29246e+04    1.19190e+03   -2.88005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85811e+03    9.31526e+04    3.98203e+05   -2.34185e+04   -2.97495e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65404e+04   -2.44692e+06    4.79599e+05   -1.96732e+06    2.61050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10933e+02   -2.07859e+02   -6.32480e+01    5.45156e-06


DD  step 244379999 load imb.: force 17.4%  pme mesh/force 0.754
           Step           Time
      244380000   488760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26859e+03    1.95988e+04    1.32078e+04    1.20092e+03   -3.14767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70780e+03    9.23258e+04    4.01170e+05   -2.33423e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64711e+04   -2.44484e+06    4.79596e+05   -1.96525e+06    2.61056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.06510e+02   -5.43479e+01    5.51647e-06


DD  step 244384999 load imb.: force 19.2%  pme mesh/force 0.779
           Step           Time
      244385000   488770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77127e+03    1.91705e+04    1.29423e+04    1.22887e+03   -2.90223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82867e+03    9.31854e+04    3.99804e+05   -2.33783e+04   -2.98060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63740e+04   -2.45157e+06    4.81318e+05   -1.97025e+06    2.61062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12047e+02   -2.07147e+02   -2.98082e+01    5.40146e-06


DD  step 244389999 load imb.: force 19.0%  pme mesh/force 0.761
           Step           Time
      244390000   488780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83869e+03    1.92965e+04    1.32948e+04    1.24874e+03   -3.08283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91133e+03    9.29087e+04    4.00973e+05   -2.34053e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65090e+04   -2.44461e+06    4.78137e+05   -1.96647e+06    2.61068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09985e+02   -2.07624e+02    5.97623e+01    5.43603e-06


DD  step 244394999 load imb.: force 18.8%  pme mesh/force 0.781
           Step           Time
      244395000   488790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83085e+03    1.99600e+04    1.29506e+04    1.18235e+03   -2.98450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74700e+03    9.31381e+04    4.00425e+05   -2.34162e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65475e+04   -2.44931e+06    4.80635e+05   -1.96868e+06    2.61073e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11604e+02   -2.07817e+02    1.02828e+01    5.61231e-06


DD  step 244399999 load imb.: force 19.7%  pme mesh/force 0.748
           Step           Time
      244400000   488800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95527e+03    1.96014e+04    1.30737e+04    1.22607e+03   -3.00650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67593e+03    9.30722e+04    4.01367e+05   -2.33948e+04   -2.97987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64296e+04   -2.44887e+06    4.79094e+05   -1.96977e+06    2.61079e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10605e+02   -2.07440e+02    8.19830e+00    5.51640e-06


DD  step 244404999 load imb.: force 17.0%  pme mesh/force 0.780
           Step           Time
      244405000   488810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18454e+03    1.96841e+04    1.29689e+04    1.19597e+03   -2.97027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75594e+03    9.28714e+04    3.99895e+05   -2.33954e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67123e+04   -2.44586e+06    4.79482e+05   -1.96638e+06    2.61085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.07449e+02   -1.84090e+01    5.68167e-06


DD  step 244409999 load imb.: force 16.1%  pme mesh/force 0.734
           Step           Time
      244410000   488820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15173e+03    1.92246e+04    1.28401e+04    1.18208e+03   -3.00119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76570e+03    9.31245e+04    3.98014e+05   -2.33362e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65204e+04   -2.44760e+06    4.80446e+05   -1.96716e+06    2.61091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11482e+02   -2.06403e+02   -6.39495e+01    5.50975e-06


DD  step 244414999 load imb.: force 16.8%  pme mesh/force 0.766
           Step           Time
      244415000   488830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64897e+03    1.93707e+04    1.30437e+04    1.10144e+03   -2.94686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83611e+03    9.36686e+04    4.01442e+05   -2.33766e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65436e+04   -2.44708e+06    4.80988e+05   -1.96609e+06    2.61096e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.07116e+02    8.66428e+01    5.46964e-06


DD  step 244419999 load imb.: force 16.3%  pme mesh/force 0.749
           Step           Time
      244420000   488840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03988e+03    1.99021e+04    1.28135e+04    1.20075e+03   -3.09474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70766e+03    9.34257e+04    3.98059e+05   -2.34329e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64721e+04   -2.44659e+06    4.80697e+05   -1.96589e+06    2.61103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11645e+02   -2.08114e+02   -3.25391e+01    5.47150e-06


DD  step 244424999 load imb.: force 17.3%  pme mesh/force 0.777
           Step           Time
      244425000   488850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01966e+03    1.97563e+04    1.29707e+04    1.11777e+03   -3.07089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70543e+03    9.30301e+04    4.01951e+05   -2.33857e+04   -2.97947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66347e+04   -2.44774e+06    4.79467e+05   -1.96827e+06    2.61109e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10847e+02   -2.07278e+02    1.36391e+01    5.55538e-06


DD  step 244429999 load imb.: force 17.9%  pme mesh/force 0.746
           Step           Time
      244430000   488860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01416e+03    1.94205e+04    1.31378e+04    1.17769e+03   -3.08046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94040e+03    9.35855e+04    4.03634e+05   -2.34168e+04   -2.98201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64150e+04   -2.44818e+06    4.82063e+05   -1.96611e+06    2.61115e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12530e+02   -2.07829e+02    1.26645e+02    5.57275e-06


DD  step 244434999 load imb.: force 17.5%  pme mesh/force 0.776
           Step           Time
      244435000   488870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04275e+03    1.92191e+04    1.30427e+04    1.15591e+03   -3.01665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77872e+03    9.30968e+04    4.00840e+05   -2.33641e+04   -2.97846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65587e+04   -2.44810e+06    4.81294e+05   -1.96681e+06    2.61120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12031e+02   -2.06896e+02   -5.09348e+00    5.53070e-06

Writing checkpoint, step 244438950 at Wed Nov  8 13:46:28 2023



DD  step 244439999 load imb.: force 17.6%  pme mesh/force 0.759
           Step           Time
      244440000   488880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02711e+03    1.91919e+04    1.30513e+04    1.12891e+03   -3.10904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86403e+03    9.28737e+04    3.99572e+05   -2.34148e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65499e+04   -2.44766e+06    4.78266e+05   -1.96940e+06    2.61126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10068e+02   -2.07793e+02   -6.29142e+01    5.46691e-06


DD  step 244444999 load imb.: force 18.1%  pme mesh/force 0.771
           Step           Time
      244445000   488890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86091e+03    1.95275e+04    1.29523e+04    1.20470e+03   -3.07239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87175e+03    9.30140e+04    3.99508e+05   -2.33883e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64890e+04   -2.44906e+06    4.79465e+05   -1.96959e+06    2.61132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10846e+02   -2.07324e+02   -2.86298e+01    5.50901e-06


DD  step 244449999 load imb.: force 16.4%  pme mesh/force 0.743
           Step           Time
      244450000   488900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.42289e+03    1.96073e+04    1.29461e+04    1.12187e+03   -3.03689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77659e+03    9.34322e+04    3.98462e+05   -2.33750e+04   -2.97284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65921e+04   -2.44389e+06    4.78791e+05   -1.96510e+06    2.61138e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10409e+02   -2.07089e+02   -4.04435e+01    5.37480e-06


DD  step 244454999 load imb.: force 17.7%  pme mesh/force 0.804
           Step           Time
      244455000   488910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77608e+03    1.96860e+04    1.29452e+04    1.17651e+03   -3.01599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79776e+03    9.31894e+04    4.00952e+05   -2.33950e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66176e+04   -2.44839e+06    4.77992e+05   -1.97040e+06    2.61144e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09891e+02   -2.07443e+02    3.85208e+00    5.59673e-06


DD  step 244459999 load imb.: force 16.9%  pme mesh/force 0.750
           Step           Time
      244460000   488920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94493e+03    1.92653e+04    1.30672e+04    1.18754e+03   -3.05391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85077e+03    9.38959e+04    3.99431e+05   -2.33985e+04   -2.97603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64860e+04   -2.44635e+06    4.80204e+05   -1.96615e+06    2.61150e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.07504e+02   -5.01190e-01    5.59995e-06


DD  step 244464999 load imb.: force 18.4%  pme mesh/force 0.797
           Step           Time
      244465000   488930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02402e+03    1.93451e+04    1.30581e+04    1.15878e+03   -3.09032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84380e+03    9.37967e+04    4.00656e+05   -2.33372e+04   -2.97747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63840e+04   -2.44663e+06    4.79747e+05   -1.96689e+06    2.61156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.06421e+02    9.46573e+00    5.61449e-06


DD  step 244469999 load imb.: force 17.2%  pme mesh/force 0.729
           Step           Time
      244470000   488940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04727e+03    1.94991e+04    1.31231e+04    1.17283e+03   -2.96979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87519e+03    9.34793e+04    4.02264e+05   -2.34017e+04   -2.98193e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65326e+04   -2.44930e+06    4.80354e+05   -1.96895e+06    2.61161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11422e+02   -2.07561e+02    5.20279e+01    5.48692e-06


DD  step 244474999 load imb.: force 17.7%  pme mesh/force 0.778
           Step           Time
      244475000   488950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07673e+03    1.92559e+04    1.30553e+04    1.23561e+03   -2.92656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68368e+03    9.33286e+04    4.01362e+05   -2.34073e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65800e+04   -2.44689e+06    4.81940e+05   -1.96495e+06    2.61167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12451e+02   -2.07660e+02    3.93385e+01    5.58984e-06


DD  step 244479999 load imb.: force 19.0%  pme mesh/force 0.771
           Step           Time
      244480000   488960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12857e+03    1.92285e+04    1.30020e+04    1.10232e+03   -2.89080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80796e+03    9.32632e+04    4.02533e+05   -2.33973e+04   -2.97910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67467e+04   -2.44657e+06    4.79433e+05   -1.96714e+06    2.61173e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10825e+02   -2.07483e+02    6.19055e+01    5.38318e-06


DD  step 244484999 load imb.: force 17.0%  pme mesh/force 0.766
           Step           Time
      244485000   488970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02416e+03    1.92617e+04    1.30808e+04    1.23555e+03   -3.03461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92050e+03    9.34247e+04    4.00881e+05   -2.33928e+04   -2.97743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66099e+04   -2.44642e+06    4.79630e+05   -1.96679e+06    2.61179e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10953e+02   -2.07403e+02    7.52482e+01    5.49395e-06


DD  step 244489999 load imb.: force 19.1%  pme mesh/force 0.800
           Step           Time
      244490000   488980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11888e+03    1.94480e+04    1.29704e+04    1.16842e+03   -2.97906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85607e+03    9.32248e+04    4.00475e+05   -2.33985e+04   -2.97836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64423e+04   -2.44803e+06    4.80209e+05   -1.96782e+06    2.61185e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.07504e+02   -5.48728e+01    5.48885e-06


DD  step 244494999 load imb.: force 18.5%  pme mesh/force 0.784
           Step           Time
      244495000   488990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92865e+03    1.95825e+04    1.30887e+04    1.25377e+03   -2.96239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80213e+03    9.30949e+04    4.01846e+05   -2.34084e+04   -2.98279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66496e+04   -2.45092e+06    4.77634e+05   -1.97328e+06    2.61192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09659e+02   -2.07681e+02   -5.47399e+01    5.37875e-06


DD  step 244499999 load imb.: force 17.9%  pme mesh/force 0.772
           Step           Time
      244500000   489000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21613e+03    1.89354e+04    1.29641e+04    1.23302e+03   -2.99675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72054e+03    9.29252e+04    3.99782e+05   -2.34168e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64396e+04   -2.45027e+06    4.79374e+05   -1.97090e+06    2.61197e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.07828e+02   -3.63912e+01    5.67974e-06


DD  step 244504999 load imb.: force 19.3%  pme mesh/force 0.762
           Step           Time
      244505000   489010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94868e+03    1.95236e+04    1.31393e+04    1.11015e+03   -2.96696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69796e+03    9.32595e+04    4.06137e+05   -2.34396e+04   -2.98344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65465e+04   -2.44749e+06    4.78179e+05   -1.96931e+06    2.61203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10012e+02   -2.08233e+02    1.84866e+02    5.47226e-06


DD  step 244509999 load imb.: force 17.4%  pme mesh/force 0.768
           Step           Time
      244510000   489020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23845e+03    1.96920e+04    1.29400e+04    1.12659e+03   -2.92788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92878e+03    9.29164e+04    3.99467e+05   -2.33760e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64400e+04   -2.44678e+06    4.81111e+05   -1.96567e+06    2.61209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11913e+02   -2.07105e+02   -2.83102e+01    5.36003e-06


DD  step 244514999 load imb.: force 18.1%  pme mesh/force 0.773
           Step           Time
      244515000   489030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97385e+03    1.95817e+04    1.32392e+04    1.17267e+03   -3.05540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78580e+03    9.32251e+04    3.98743e+05   -2.33788e+04   -2.97369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62916e+04   -2.44511e+06    4.79406e+05   -1.96570e+06    2.61214e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10807e+02   -2.07155e+02   -3.64997e+01    5.45462e-06


DD  step 244519999 load imb.: force 16.9%  pme mesh/force 0.778
           Step           Time
      244520000   489040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.40343e+03    1.95363e+04    1.28281e+04    1.11345e+03   -3.08635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72449e+03    9.33711e+04    4.01607e+05   -2.33449e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64246e+04   -2.44602e+06    4.81825e+05   -1.96420e+06    2.61221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12375e+02   -2.06556e+02   -2.63631e+01    5.50285e-06


DD  step 244524999 load imb.: force 18.2%  pme mesh/force 0.765
           Step           Time
      244525000   489050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00584e+03    1.94233e+04    1.32223e+04    1.14459e+03   -3.04275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77632e+03    9.26020e+04    4.03848e+05   -2.34233e+04   -2.98094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66758e+04   -2.44771e+06    4.80558e+05   -1.96715e+06    2.61226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11554e+02   -2.07945e+02    9.29060e+01    5.51134e-06


DD  step 244529999 load imb.: force 20.0%  pme mesh/force 0.781
           Step           Time
      244530000   489060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11277e+03    1.95509e+04    1.31415e+04    1.16077e+03   -2.94958e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77704e+03    9.25747e+04    3.99646e+05   -2.33903e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64243e+04   -2.44589e+06    4.80091e+05   -1.96580e+06    2.61232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11252e+02   -2.07360e+02   -2.67544e+01    5.53863e-06


DD  step 244534999 load imb.: force 18.2%  pme mesh/force 0.728
           Step           Time
      244535000   489070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90677e+03    1.94584e+04    1.30969e+04    1.15871e+03   -2.98714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71571e+03    9.28523e+04    4.02132e+05   -2.33972e+04   -2.98139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65583e+04   -2.44989e+06    4.79159e+05   -1.97073e+06    2.61238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10648e+02   -2.07481e+02    5.77136e+01    5.30458e-06


DD  step 244539999 load imb.: force 17.7%  pme mesh/force 0.774
           Step           Time
      244540000   489080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89919e+03    1.92019e+04    1.30276e+04    1.15142e+03   -3.01847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85019e+03    9.32481e+04    4.00947e+05   -2.33900e+04   -2.97973e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64440e+04   -2.44937e+06    4.80120e+05   -1.96925e+06    2.61243e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.07354e+02    1.67462e+01    5.45205e-06


DD  step 244544999 load imb.: force 18.8%  pme mesh/force 0.791
           Step           Time
      244545000   489090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84506e+03    1.95632e+04    1.29724e+04    1.16344e+03   -3.14043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72298e+03    9.26518e+04    4.01571e+05   -2.34121e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64190e+04   -2.44872e+06    4.78301e+05   -1.97042e+06    2.61249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.07746e+02    1.37448e+01    5.54595e-06


DD  step 244549999 load imb.: force 16.8%  pme mesh/force 0.735
           Step           Time
      244550000   489100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84686e+03    1.94585e+04    1.31433e+04    1.15962e+03   -3.10189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80172e+03    9.30512e+04    4.01725e+05   -2.34011e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66115e+04   -2.44562e+06    4.79325e+05   -1.96629e+06    2.61255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10755e+02   -2.07551e+02    9.37763e+01    5.42103e-06


DD  step 244554999 load imb.: force 18.6%  pme mesh/force 0.767
           Step           Time
      244555000   489110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89582e+03    1.94044e+04    1.31047e+04    1.29202e+03   -3.02524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85949e+03    9.25513e+04    3.97670e+05   -2.33627e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63288e+04   -2.44728e+06    4.78935e+05   -1.96835e+06    2.61261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10502e+02   -2.06872e+02   -6.67278e+01    5.36455e-06


DD  step 244559999 load imb.: force 16.8%  pme mesh/force 0.746
           Step           Time
      244560000   489120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30102e+03    1.93389e+04    1.30448e+04    1.30142e+03   -2.87357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85375e+03    9.25082e+04    4.01754e+05   -2.33679e+04   -2.97647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65586e+04   -2.44505e+06    4.80493e+05   -1.96455e+06    2.61267e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11512e+02   -2.06964e+02    1.53087e+01    5.58819e-06


DD  step 244564999 load imb.: force 19.7%  pme mesh/force 0.763
           Step           Time
      244565000   489130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84940e+03    1.95624e+04    1.30498e+04    1.19323e+03   -3.04551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87007e+03    9.26923e+04    4.02944e+05   -2.33584e+04   -2.97855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62383e+04   -2.44655e+06    4.79628e+05   -1.96692e+06    2.61272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.06795e+02    7.40097e+01    5.60113e-06


DD  step 244569999 load imb.: force 18.9%  pme mesh/force 0.771
           Step           Time
      244570000   489140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80486e+03    1.92962e+04    1.27134e+04    1.08968e+03   -3.08142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93718e+03    9.27301e+04    4.01081e+05   -2.33979e+04   -2.98019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65249e+04   -2.45049e+06    4.79770e+05   -1.97072e+06    2.61278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11044e+02   -2.07494e+02   -2.40724e+00    5.51127e-06


DD  step 244574999 load imb.: force 17.9%  pme mesh/force 0.786
           Step           Time
      244575000   489150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11854e+03    1.92707e+04    1.28790e+04    1.15759e+03   -3.00710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81818e+03    9.28534e+04    4.02430e+05   -2.34096e+04   -2.97985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67276e+04   -2.44801e+06    4.80710e+05   -1.96730e+06    2.61284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11653e+02   -2.07701e+02    5.63769e+01    5.36564e-06


DD  step 244579999 load imb.: force 17.4%  pme mesh/force 0.769
           Step           Time
      244580000   489160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97631e+03    1.90691e+04    1.27719e+04    1.13855e+03   -2.83921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73888e+03    9.25333e+04    4.02261e+05   -2.34432e+04   -2.98103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65967e+04   -2.45023e+06    4.78578e+05   -1.97165e+06    2.61290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10270e+02   -2.08297e+02    9.30742e+01    5.36527e-06


DD  step 244584999 load imb.: force 16.9%  pme mesh/force 0.764
           Step           Time
      244585000   489170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23355e+03    1.96510e+04    1.31857e+04    1.14421e+03   -3.06429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83759e+03    9.22011e+04    3.98939e+05   -2.33699e+04   -2.97280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65384e+04   -2.44450e+06    4.80333e+05   -1.96417e+06    2.61296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.06999e+02   -8.64807e-01    5.43335e-06


DD  step 244589999 load imb.: force 18.1%  pme mesh/force 0.798
           Step           Time
      244590000   489180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83182e+03    1.94798e+04    1.32032e+04    1.13118e+03   -2.95964e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91251e+03    9.25093e+04    3.99603e+05   -2.33637e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62614e+04   -2.44828e+06    4.81299e+05   -1.96698e+06    2.61301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12035e+02   -2.06888e+02    2.02886e+01    5.54686e-06


DD  step 244594999 load imb.: force 17.2%  pme mesh/force 0.777
           Step           Time
      244595000   489190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03274e+03    1.88723e+04    1.30605e+04    1.15747e+03   -2.99788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78609e+03    9.27803e+04    4.02667e+05   -2.33989e+04   -2.98086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65015e+04   -2.44940e+06    4.79122e+05   -1.97027e+06    2.61307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10623e+02   -2.07511e+02    4.25468e+01    5.53954e-06


DD  step 244599999 load imb.: force 16.3%  pme mesh/force 0.767
           Step           Time
      244600000   489200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90092e+03    1.93941e+04    1.32285e+04    1.12984e+03   -3.02548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86464e+03    9.28116e+04    4.00934e+05   -2.33735e+04   -2.97763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63350e+04   -2.44743e+06    4.79715e+05   -1.96772e+06    2.61313e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11008e+02   -2.07062e+02    1.92687e+01    5.54289e-06


DD  step 244604999 load imb.: force 18.9%  pme mesh/force 0.786
           Step           Time
      244605000   489210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90945e+03    1.91606e+04    1.31142e+04    1.24873e+03   -2.94428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87076e+03    9.28672e+04    3.98713e+05   -2.33986e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64157e+04   -2.44822e+06    4.78545e+05   -1.96967e+06    2.61319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.07506e+02   -7.21541e+00    5.69865e-06


DD  step 244609999 load imb.: force 16.6%  pme mesh/force 0.750
           Step           Time
      244610000   489220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05631e+03    1.96578e+04    1.31336e+04    1.24108e+03   -2.92131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75446e+03    9.27742e+04    3.99734e+05   -2.34080e+04   -2.97555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63745e+04   -2.44615e+06    4.80142e+05   -1.96601e+06    2.61325e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11285e+02   -2.07673e+02    2.64259e+01    5.43760e-06


DD  step 244614999 load imb.: force 18.0%  pme mesh/force 0.769
           Step           Time
      244615000   489230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10877e+03    1.95134e+04    1.28671e+04    1.11453e+03   -3.00492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84301e+03    9.28083e+04    4.03046e+05   -2.34111e+04   -2.97866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65706e+04   -2.44621e+06    4.79037e+05   -1.96717e+06    2.61331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10568e+02   -2.07727e+02    1.19409e+02    5.57163e-06


DD  step 244619999 load imb.: force 19.4%  pme mesh/force 0.788
           Step           Time
      244620000   489240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10603e+03    1.95229e+04    1.29673e+04    1.22250e+03   -3.09012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87342e+03    9.23857e+04    3.99556e+05   -2.33504e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66141e+04   -2.44558e+06    4.78458e+05   -1.96712e+06    2.61336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10193e+02   -2.06653e+02   -5.20539e+01    5.40694e-06


DD  step 244624999 load imb.: force 17.4%  pme mesh/force 0.764
           Step           Time
      244625000   489250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91591e+03    1.92738e+04    1.32440e+04    1.20530e+03   -3.02668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83401e+03    9.27733e+04    4.01849e+05   -2.33575e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66533e+04   -2.44594e+06    4.78231e+05   -1.96770e+06    2.61342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10046e+02   -2.06779e+02    3.72527e+01    5.57914e-06


DD  step 244629999 load imb.: force 19.4%  pme mesh/force 0.796
           Step           Time
      244630000   489260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79503e+03    1.91493e+04    1.30340e+04    1.16993e+03   -2.95309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85602e+03    9.28601e+04    4.01520e+05   -2.34248e+04   -2.97868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64189e+04   -2.44825e+06    4.79916e+05   -1.96834e+06    2.61348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11138e+02   -2.07971e+02    6.83556e+01    5.64133e-06


DD  step 244634999 load imb.: force 18.1%  pme mesh/force 0.761
           Step           Time
      244635000   489270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94844e+03    1.93696e+04    1.31659e+04    1.19142e+03   -3.08862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93934e+03    9.30231e+04    4.01747e+05   -2.34059e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64668e+04   -2.44779e+06    4.79182e+05   -1.96860e+06    2.61354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10662e+02   -2.07636e+02    4.80623e+01    5.39092e-06


DD  step 244639999 load imb.: force 16.2%  pme mesh/force 0.746
           Step           Time
      244640000   489280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87204e+03    1.92693e+04    1.30762e+04    1.10248e+03   -3.16805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95808e+03    9.29621e+04    3.98509e+05   -2.33413e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63778e+04   -2.44672e+06    4.80491e+05   -1.96623e+06    2.61359e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11511e+02   -2.06492e+02   -8.62822e+01    5.58676e-06


DD  step 244644999 load imb.: force 19.4%  pme mesh/force 0.778
           Step           Time
      244645000   489290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09734e+03    1.93075e+04    1.30792e+04    1.24867e+03   -3.04039e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77335e+03    9.34881e+04    4.00124e+05   -2.33990e+04   -2.97821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63960e+04   -2.44813e+06    4.80544e+05   -1.96759e+06    2.61365e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.07514e+02   -4.36614e+01    5.36844e-06


DD  step 244649999 load imb.: force 18.2%  pme mesh/force 0.785
           Step           Time
      244650000   489300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26199e+03    1.94146e+04    1.29327e+04    1.22252e+03   -2.92514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78774e+03    9.29850e+04    3.97541e+05   -2.34150e+04   -2.97447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65131e+04   -2.44715e+06    4.79460e+05   -1.96769e+06    2.61371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07796e+02   -9.22574e+01    5.47285e-06


DD  step 244654999 load imb.: force 17.8%  pme mesh/force 0.778
           Step           Time
      244655000   489310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00675e+03    1.93538e+04    1.29266e+04    1.18613e+03   -2.88774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87535e+03    9.30539e+04    3.98999e+05   -2.33293e+04   -2.97462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65805e+04   -2.44586e+06    4.80520e+05   -1.96534e+06    2.61377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.06280e+02    1.21728e+01    5.33483e-06


DD  step 244659999 load imb.: force 20.2%  pme mesh/force 0.816
           Step           Time
      244660000   489320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96221e+03    1.93025e+04    1.30812e+04    1.08072e+03   -2.85597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82201e+03    9.27711e+04    3.97859e+05   -2.33701e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65630e+04   -2.44789e+06    4.80668e+05   -1.96722e+06    2.61383e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11626e+02   -2.07002e+02   -8.98091e+01    5.54507e-06


DD  step 244664999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      244665000   489330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04249e+03    1.97061e+04    1.31673e+04    1.08837e+03   -2.91569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77332e+03    9.25492e+04    4.00253e+05   -2.33783e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64622e+04   -2.44555e+06    4.78944e+05   -1.96660e+06    2.61389e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10508e+02   -2.07146e+02    1.25618e+01    5.61846e-06


DD  step 244669999 load imb.: force 18.0%  pme mesh/force 0.784
           Step           Time
      244670000   489340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98613e+03    1.94787e+04    1.30135e+04    1.20559e+03   -2.99139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85881e+03    9.24129e+04    4.04969e+05   -2.33771e+04   -2.98172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66091e+04   -2.44756e+06    4.80643e+05   -1.96692e+06    2.61394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11610e+02   -2.07126e+02    1.05097e+02    5.47273e-06


DD  step 244674999 load imb.: force 17.1%  pme mesh/force 0.776
           Step           Time
      244675000   489350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14979e+03    1.96445e+04    1.28808e+04    1.20232e+03   -2.92849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76719e+03    9.26444e+04    3.99348e+05   -2.33333e+04   -2.97385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64706e+04   -2.44500e+06    4.80444e+05   -1.96456e+06    2.61400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11481e+02   -2.06352e+02   -4.47836e+01    5.47072e-06


DD  step 244679999 load imb.: force 16.8%  pme mesh/force 0.789
           Step           Time
      244680000   489360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18813e+03    1.95260e+04    1.32254e+04    1.16178e+03   -2.91738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75199e+03    9.25763e+04    4.02294e+05   -2.33649e+04   -2.97557e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66435e+04   -2.44348e+06    4.80744e+05   -1.96274e+06    2.61406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11675e+02   -2.06910e+02    6.21481e+01    5.48242e-06


DD  step 244684999 load imb.: force 17.7%  pme mesh/force 0.792
           Step           Time
      244685000   489370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04736e+03    1.93303e+04    1.30449e+04    1.10707e+03   -3.02320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74372e+03    9.27075e+04    4.01065e+05   -2.33559e+04   -2.97951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65460e+04   -2.44930e+06    4.79788e+05   -1.96951e+06    2.61412e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11055e+02   -2.06751e+02   -5.28540e+01    5.35371e-06


DD  step 244689999 load imb.: force 17.3%  pme mesh/force 0.726
           Step           Time
      244690000   489380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88427e+03    1.93983e+04    1.31667e+04    1.16375e+03   -3.03500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86349e+03    9.28219e+04    4.00705e+05   -2.33441e+04   -2.97709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67807e+04   -2.44668e+06    4.80396e+05   -1.96629e+06    2.61418e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11449e+02   -2.06542e+02    1.34984e+01    5.44172e-06


DD  step 244694999 load imb.: force 18.0%  pme mesh/force 0.729
           Step           Time
      244695000   489390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13445e+03    1.90964e+04    1.30845e+04    1.13663e+03   -3.00708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72266e+03    9.32403e+04    4.01596e+05   -2.34025e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65034e+04   -2.44924e+06    4.79209e+05   -1.97003e+06    2.61424e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10680e+02   -2.07575e+02   -8.25204e+00    5.40042e-06


DD  step 244699999 load imb.: force 16.7%  pme mesh/force 0.726
           Step           Time
      244700000   489400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80840e+03    1.97962e+04    1.30648e+04    1.16395e+03   -3.05831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85695e+03    9.24069e+04    3.98898e+05   -2.33901e+04   -2.97420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65646e+04   -2.44609e+06    4.80587e+05   -1.96551e+06    2.61429e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11573e+02   -2.07356e+02    5.58501e+00    5.43342e-06


DD  step 244704999 load imb.: force 18.8%  pme mesh/force 0.785
           Step           Time
      244705000   489410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12603e+03    1.96745e+04    1.30187e+04    1.29761e+03   -3.05677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87298e+03    9.24981e+04    3.99352e+05   -2.33694e+04   -2.97597e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64894e+04   -2.44706e+06    4.78548e+05   -1.96852e+06    2.61436e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10251e+02   -2.06990e+02   -1.96483e+01    5.53515e-06


DD  step 244709999 load imb.: force 18.0%  pme mesh/force 0.766
           Step           Time
      244710000   489420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09243e+03    1.89966e+04    1.30462e+04    1.11020e+03   -3.05603e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77297e+03    9.24284e+04    3.98338e+05   -2.33978e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64722e+04   -2.44890e+06    4.79718e+05   -1.96918e+06    2.61441e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11010e+02   -2.07492e+02   -1.23846e+02    5.57022e-06


DD  step 244714999 load imb.: force 18.4%  pme mesh/force 0.792
           Step           Time
      244715000   489430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94470e+03    1.96160e+04    1.32011e+04    1.16093e+03   -3.04504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82656e+03    9.24628e+04    3.99390e+05   -2.34046e+04   -2.97191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62848e+04   -2.44347e+06    4.78925e+05   -1.96455e+06    2.61447e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.07613e+02    1.44989e+01    5.40998e-06


DD  step 244719999 load imb.: force 18.7%  pme mesh/force 0.755
           Step           Time
      244720000   489440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01459e+03    1.97271e+04    1.29477e+04    1.17441e+03   -2.98698e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80262e+03    9.26448e+04    4.03898e+05   -2.34332e+04   -2.98241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65879e+04   -2.44904e+06    4.80870e+05   -1.96817e+06    2.61452e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11757e+02   -2.08120e+02    1.36788e+02    5.46434e-06


DD  step 244724999 load imb.: force 17.1%  pme mesh/force 0.770
           Step           Time
      244725000   489450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09395e+03    1.96502e+04    1.31125e+04    1.16678e+03   -3.15576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86895e+03    9.29241e+04    3.99275e+05   -2.33544e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64910e+04   -2.44623e+06    4.79264e+05   -1.96697e+06    2.61458e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.06723e+02   -4.01174e+01    5.39870e-06


DD  step 244729999 load imb.: force 19.7%  pme mesh/force 0.783
           Step           Time
      244730000   489460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12676e+03    1.90709e+04    1.29314e+04    1.10803e+03   -2.97202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02311e+03    9.27015e+04    3.98570e+05   -2.34145e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64425e+04   -2.44638e+06    4.79041e+05   -1.96734e+06    2.61464e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.07788e+02   -5.66302e+00    5.44311e-06


DD  step 244734999 load imb.: force 17.3%  pme mesh/force 0.771
           Step           Time
      244735000   489470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17912e+03    1.93141e+04    1.28046e+04    1.13689e+03   -3.01161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76352e+03    9.24954e+04    4.00616e+05   -2.33699e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65519e+04   -2.44749e+06    4.78328e+05   -1.96916e+06    2.61469e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10109e+02   -2.06998e+02   -4.01455e+01    5.29673e-06


DD  step 244739999 load imb.: force 18.5%  pme mesh/force 0.770
           Step           Time
      244740000   489480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10345e+03    1.93061e+04    1.29525e+04    1.23347e+03   -3.08331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81695e+03    9.27088e+04    3.98021e+05   -2.33884e+04   -2.97142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64106e+04   -2.44434e+06    4.79539e+05   -1.96480e+06    2.61475e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.07325e+02   -5.76098e+01    5.56725e-06


DD  step 244744999 load imb.: force 20.6%  pme mesh/force 0.772
           Step           Time
      244745000   489490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04537e+03    1.92476e+04    1.29358e+04    1.18479e+03   -3.10815e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89598e+03    9.23675e+04    4.01756e+05   -2.34296e+04   -2.97891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65711e+04   -2.44844e+06    4.81147e+05   -1.96730e+06    2.61481e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11936e+02   -2.08057e+02    5.92009e+01    5.40611e-06


DD  step 244749999 load imb.: force 17.0%  pme mesh/force 0.778
           Step           Time
      244750000   489500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06125e+03    1.96747e+04    1.30310e+04    1.22693e+03   -2.94020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86751e+03    9.22431e+04    3.96942e+05   -2.33613e+04   -2.97036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65014e+04   -2.44411e+06    4.80038e+05   -1.96407e+06    2.61487e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11217e+02   -2.06846e+02   -9.97769e+01    5.47725e-06


DD  step 244754999 load imb.: force 17.7%  pme mesh/force 0.755
           Step           Time
      244755000   489510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11250e+03    1.93631e+04    1.31996e+04    1.11917e+03   -3.08255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73334e+03    9.22880e+04    4.01664e+05   -2.33516e+04   -2.97829e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64898e+04   -2.44775e+06    4.79128e+05   -1.96863e+06    2.61492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10627e+02   -2.06674e+02   -1.14940e+01    5.43059e-06


DD  step 244759999 load imb.: force 16.3%  pme mesh/force 0.736
           Step           Time
      244760000   489520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83293e+03    1.92070e+04    1.31621e+04    1.07077e+03   -3.10330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94783e+03    9.30546e+04    3.98999e+05   -2.33620e+04   -2.97335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64683e+04   -2.44507e+06    4.76180e+05   -1.96889e+06    2.61499e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08716e+02   -2.06858e+02    5.93971e+00    5.44120e-06


DD  step 244764999 load imb.: force 15.2%  pme mesh/force 0.735
           Step           Time
      244765000   489530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24281e+03    1.92419e+04    1.31031e+04    1.11166e+03   -3.03919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79946e+03    9.25579e+04    4.05374e+05   -2.34196e+04   -2.98261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64105e+04   -2.44823e+06    4.80309e+05   -1.96792e+06    2.61504e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11393e+02   -2.07879e+02    1.29970e+02    5.38621e-06

Writing checkpoint, step 244766200 at Wed Nov  8 14:01:28 2023



DD  step 244769999 load imb.: force 15.4%  pme mesh/force 0.707
           Step           Time
      244770000   489540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10154e+03    1.92988e+04    1.30800e+04    1.17933e+03   -3.02593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84426e+03    9.26735e+04    4.00678e+05   -2.33915e+04   -2.97761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65619e+04   -2.44761e+06    4.78561e+05   -1.96904e+06    2.61510e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10260e+02   -2.07381e+02    1.09689e+01    5.41404e-06


DD  step 244774999 load imb.: force 17.0%  pme mesh/force 0.710
           Step           Time
      244775000   489550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10699e+03    1.94306e+04    1.31580e+04    1.16579e+03   -2.98748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81140e+03    9.24794e+04    4.00307e+05   -2.34227e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64006e+04   -2.44668e+06    4.80426e+05   -1.96626e+06    2.61515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.07932e+02    2.03662e+00    5.33260e-06


DD  step 244779999 load imb.: force 16.4%  pme mesh/force 0.724
           Step           Time
      244780000   489560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07596e+03    1.95751e+04    1.31135e+04    1.21322e+03   -3.09169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83096e+03    9.26024e+04    3.97857e+05   -2.33663e+04   -2.97267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64936e+04   -2.44537e+06    4.79098e+05   -1.96627e+06    2.61521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10608e+02   -2.06934e+02   -4.63155e+01    5.41884e-06


DD  step 244784999 load imb.: force 15.1%  pme mesh/force 0.747
           Step           Time
      244785000   489570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67850e+03    1.94058e+04    1.30042e+04    1.19255e+03   -2.99902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95442e+03    9.27671e+04    4.00605e+05   -2.33651e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65568e+04   -2.44731e+06    4.79648e+05   -1.96766e+06    2.61526e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10964e+02   -2.06913e+02    2.07847e+01    5.56601e-06


DD  step 244789999 load imb.: force 15.7%  pme mesh/force 0.710
           Step           Time
      244790000   489580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87188e+03    1.97065e+04    1.29812e+04    1.16307e+03   -3.05461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75531e+03    9.27637e+04    4.00471e+05   -2.34196e+04   -2.97752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63576e+04   -2.44792e+06    4.77877e+05   -1.97004e+06    2.61533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09816e+02   -2.07878e+02    3.42300e+00    5.29392e-06


DD  step 244794999 load imb.: force 17.2%  pme mesh/force 0.721
           Step           Time
      244795000   489590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20604e+03    1.92040e+04    1.30385e+04    1.19675e+03   -3.07750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85278e+03    9.27445e+04    4.03849e+05   -2.34163e+04   -2.98132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64623e+04   -2.44826e+06    4.80086e+05   -1.96817e+06    2.61538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11248e+02   -2.07819e+02    1.17572e+02    5.41604e-06


DD  step 244799999 load imb.: force 15.6%  pme mesh/force 0.759
           Step           Time
      244800000   489600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88665e+03    1.92480e+04    1.29353e+04    1.09416e+03   -3.05769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71643e+03    9.27991e+04    4.00008e+05   -2.33579e+04   -2.97548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65857e+04   -2.44662e+06    4.77477e+05   -1.96914e+06    2.61543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09557e+02   -2.06787e+02   -3.86128e+01    5.33247e-06


DD  step 244804999 load imb.: force 18.1%  pme mesh/force 0.737
           Step           Time
      244805000   489610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98834e+03    1.91503e+04    1.31712e+04    1.23837e+03   -2.99848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80609e+03    9.21766e+04    4.02416e+05   -2.33506e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63383e+04   -2.44666e+06    4.79481e+05   -1.96718e+06    2.61550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10856e+02   -2.06657e+02    3.22296e+01    5.40267e-06


DD  step 244809999 load imb.: force 16.0%  pme mesh/force 0.739
           Step           Time
      244810000   489620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02588e+03    1.89856e+04    1.32635e+04    1.14585e+03   -3.11143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89566e+03    9.28176e+04    4.01166e+05   -2.34368e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66268e+04   -2.44648e+06    4.80278e+05   -1.96620e+06    2.61555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11373e+02   -2.08183e+02    7.27402e+01    5.34960e-06


DD  step 244814999 load imb.: force 16.7%  pme mesh/force 0.733
           Step           Time
      244815000   489630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95261e+03    1.95608e+04    1.30557e+04    1.17766e+03   -2.99363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85828e+03    9.25446e+04    3.99758e+05   -2.33993e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64067e+04   -2.44658e+06    4.80882e+05   -1.96570e+06    2.61561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11765e+02   -2.07519e+02    6.65431e+00    5.45483e-06


DD  step 244819999 load imb.: force 17.0%  pme mesh/force 0.729
           Step           Time
      244820000   489640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22167e+03    1.94837e+04    1.32267e+04    1.17010e+03   -3.10034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76729e+03    9.23895e+04    3.96151e+05   -2.33364e+04   -2.97079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67052e+04   -2.44512e+06    4.78463e+05   -1.96665e+06    2.61567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10196e+02   -2.06407e+02   -1.66458e+02    5.32767e-06


DD  step 244824999 load imb.: force 15.8%  pme mesh/force 0.724
           Step           Time
      244825000   489650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04440e+03    1.98050e+04    1.30535e+04    1.26595e+03   -2.99801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79876e+03    9.25745e+04    4.01043e+05   -2.34310e+04   -2.98042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63872e+04   -2.44987e+06    4.81934e+05   -1.96794e+06    2.61573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12447e+02   -2.08081e+02    4.61227e+01    5.31636e-06


DD  step 244829999 load imb.: force 16.5%  pme mesh/force 0.787
           Step           Time
      244830000   489660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37978e+03    1.96877e+04    1.32371e+04    1.22891e+03   -3.16401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78708e+03    9.25749e+04    3.98703e+05   -2.33480e+04   -2.97109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65627e+04   -2.44244e+06    4.79299e+05   -1.96314e+06    2.61579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.06611e+02   -3.23530e+01    5.43290e-06


DD  step 244834999 load imb.: force 17.4%  pme mesh/force 0.754
           Step           Time
      244835000   489670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16363e+03    1.96170e+04    1.30593e+04    1.14416e+03   -3.12691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76772e+03    9.27079e+04    4.00962e+05   -2.33673e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65910e+04   -2.44611e+06    4.80839e+05   -1.96527e+06    2.61585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11736e+02   -2.06951e+02   -4.52720e+01    5.47815e-06


DD  step 244839999 load imb.: force 15.8%  pme mesh/force 0.729
           Step           Time
      244840000   489680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89335e+03    1.94571e+04    1.31902e+04    1.16369e+03   -3.08649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93082e+03    9.27481e+04    4.01143e+05   -2.33280e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65344e+04   -2.44578e+06    4.79151e+05   -1.96663e+06    2.61590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10642e+02   -2.06257e+02    1.95119e+01    5.42701e-06


DD  step 244844999 load imb.: force 14.3%  pme mesh/force 0.718
           Step           Time
      244845000   489690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32256e+03    1.94240e+04    1.30747e+04    1.09380e+03   -3.05146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71648e+03    9.26342e+04    4.01872e+05   -2.33779e+04   -2.97451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64219e+04   -2.44338e+06    4.76423e+05   -1.96696e+06    2.61597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08873e+02   -2.07139e+02    3.47654e+01    5.37932e-06


DD  step 244849999 load imb.: force 15.4%  pme mesh/force 0.703
           Step           Time
      244850000   489700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00525e+03    1.88054e+04    1.29460e+04    1.04020e+03   -2.98898e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94632e+03    9.32154e+04    4.01590e+05   -2.34320e+04   -2.98221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62987e+04   -2.45179e+06    4.79300e+05   -1.97249e+06    2.61602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.08099e+02    3.44222e+01    5.61485e-06


DD  step 244854999 load imb.: force 16.4%  pme mesh/force 0.739
           Step           Time
      244855000   489710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24775e+03    1.91508e+04    1.32450e+04    1.16440e+03   -3.10720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87616e+03    9.33786e+04    3.99515e+05   -2.33804e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66737e+04   -2.44601e+06    4.78311e+05   -1.96770e+06    2.61608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10098e+02   -2.07183e+02   -5.60011e+01    5.25960e-06


DD  step 244859999 load imb.: force 17.4%  pme mesh/force 0.768
           Step           Time
      244860000   489720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03351e+03    1.97706e+04    1.30341e+04    1.13847e+03   -3.13336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83260e+03    9.29364e+04    4.01984e+05   -2.33392e+04   -2.97853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64567e+04   -2.44681e+06    4.80694e+05   -1.96612e+06    2.61614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11642e+02   -2.06455e+02    4.27634e+01    5.48341e-06


DD  step 244864999 load imb.: force 17.1%  pme mesh/force 0.732
           Step           Time
      244865000   489730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09814e+03    1.96444e+04    1.31765e+04    1.20793e+03   -2.89484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81054e+03    9.29636e+04    4.01711e+05   -2.33926e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65960e+04   -2.44618e+06    4.78651e+05   -1.96753e+06    2.61621e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10318e+02   -2.07400e+02    5.69141e+01    5.34632e-06


DD  step 244869999 load imb.: force 15.8%  pme mesh/force 0.711
           Step           Time
      244870000   489740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94432e+03    1.93265e+04    1.30138e+04    1.18477e+03   -3.08832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82166e+03    9.32460e+04    4.00829e+05   -2.33844e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65564e+04   -2.44763e+06    4.77539e+05   -1.97009e+06    2.61626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09597e+02   -2.07255e+02    6.53674e+00    5.37724e-06


DD  step 244874999 load imb.: force 15.5%  pme mesh/force 0.750
           Step           Time
      244875000   489750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94041e+03    1.92749e+04    1.32492e+04    1.22394e+03   -3.02127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87705e+03    9.29481e+04    4.00278e+05   -2.34222e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64317e+04   -2.44684e+06    4.79235e+05   -1.96760e+06    2.61632e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.07925e+02    6.03320e+01    5.58243e-06


DD  step 244879999 load imb.: force 15.4%  pme mesh/force 0.745
           Step           Time
      244880000   489760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09643e+03    1.97900e+04    1.30492e+04    1.17355e+03   -3.04073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74525e+03    9.23797e+04    3.99792e+05   -2.34236e+04   -2.97475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65179e+04   -2.44567e+06    4.78338e+05   -1.96734e+06    2.61638e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10115e+02   -2.07949e+02   -3.15816e+01    5.42970e-06


DD  step 244884999 load imb.: force 17.1%  pme mesh/force 0.744
           Step           Time
      244885000   489770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13261e+03    1.95645e+04    1.30354e+04    1.18886e+03   -3.13452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87674e+03    9.33328e+04    3.97744e+05   -2.33336e+04   -2.97532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64682e+04   -2.44745e+06    4.81873e+05   -1.96557e+06    2.61643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12407e+02   -2.06356e+02   -6.92609e+01    5.49236e-06


DD  step 244889999 load imb.: force 16.6%  pme mesh/force 0.709
           Step           Time
      244890000   489780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06973e+03    1.97233e+04    1.31287e+04    1.16720e+03   -3.03251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80110e+03    9.27504e+04    3.98090e+05   -2.33385e+04   -2.97270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64878e+04   -2.44485e+06    4.79584e+05   -1.96526e+06    2.61649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10923e+02   -2.06442e+02   -7.63840e+01    5.59708e-06


DD  step 244894999 load imb.: force 17.5%  pme mesh/force 0.734
           Step           Time
      244895000   489790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95292e+03    1.97124e+04    1.31965e+04    1.10296e+03   -3.04765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92028e+03    9.30044e+04    3.97774e+05   -2.33686e+04   -2.97147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64463e+04   -2.44377e+06    4.80503e+05   -1.96327e+06    2.61655e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11519e+02   -2.06976e+02   -2.68951e+01    5.48966e-06


DD  step 244899999 load imb.: force 16.9%  pme mesh/force 0.731
           Step           Time
      244900000   489800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90730e+03    1.94373e+04    1.30778e+04    1.00289e+03   -3.18785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90515e+03    9.28102e+04    4.00296e+05   -2.33599e+04   -2.97530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64340e+04   -2.44598e+06    4.79608e+05   -1.96637e+06    2.61661e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.06821e+02    1.81117e+01    5.44604e-06


DD  step 244904999 load imb.: force 17.3%  pme mesh/force 0.772
           Step           Time
      244905000   489810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11265e+03    1.94633e+04    1.31746e+04    1.20286e+03   -3.21723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77335e+03    9.25837e+04    3.98633e+05   -2.34102e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63377e+04   -2.44819e+06    4.79488e+05   -1.96870e+06    2.61667e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10861e+02   -2.07711e+02   -1.12009e+02    5.48817e-06


DD  step 244909999 load imb.: force 15.6%  pme mesh/force 0.736
           Step           Time
      244910000   489820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07549e+03    1.95765e+04    1.30075e+04    1.28552e+03   -3.06024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87682e+03    9.36342e+04    3.98649e+05   -2.33852e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63736e+04   -2.44536e+06    4.82231e+05   -1.96313e+06    2.61673e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12639e+02   -2.07269e+02   -2.15401e+01    5.38315e-06


DD  step 244914999 load imb.: force 17.6%  pme mesh/force 0.755
           Step           Time
      244915000   489830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78279e+03    1.94672e+04    1.31594e+04    1.19591e+03   -3.14991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88936e+03    9.28616e+04    3.96968e+05   -2.33671e+04   -2.97341e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62875e+04   -2.44731e+06    4.81029e+05   -1.96628e+06    2.61678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11860e+02   -2.06948e+02   -9.37950e+01    5.38984e-06


DD  step 244919999 load imb.: force 17.4%  pme mesh/force 0.736
           Step           Time
      244920000   489840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00402e+03    1.94737e+04    1.30314e+04    1.19415e+03   -3.05563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81620e+03    9.34245e+04    4.00263e+05   -2.33936e+04   -2.97577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64011e+04   -2.44561e+06    4.78759e+05   -1.96685e+06    2.61684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10388e+02   -2.07418e+02    1.55963e+01    5.35292e-06


DD  step 244924999 load imb.: force 18.1%  pme mesh/force 0.772
           Step           Time
      244925000   489850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01876e+03    1.91192e+04    1.31866e+04    1.33343e+03   -3.09718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80806e+03    9.31164e+04    4.00478e+05   -2.34323e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64045e+04   -2.44815e+06    4.81001e+05   -1.96715e+06    2.61690e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11842e+02   -2.08104e+02    6.24880e+01    5.39518e-06


DD  step 244929999 load imb.: force 19.1%  pme mesh/force 0.777
           Step           Time
      244930000   489860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09332e+03    1.90061e+04    1.31403e+04    1.23164e+03   -3.06826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89605e+03    9.27065e+04    4.00169e+05   -2.33433e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63181e+04   -2.44834e+06    4.79047e+05   -1.96929e+06    2.61696e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10574e+02   -2.06528e+02   -1.90084e+01    5.40582e-06


DD  step 244934999 load imb.: force 16.5%  pme mesh/force 0.710
           Step           Time
      244935000   489870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91320e+03    1.95825e+04    1.31509e+04    1.18381e+03   -3.18232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87038e+03    9.32829e+04    4.00561e+05   -2.33997e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64877e+04   -2.44884e+06    4.80414e+05   -1.96843e+06    2.61702e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11461e+02   -2.07525e+02    1.78617e+01    5.41943e-06


DD  step 244939999 load imb.: force 16.3%  pme mesh/force 0.716
           Step           Time
      244940000   489880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23533e+03    1.92177e+04    1.30566e+04    1.10210e+03   -3.05035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77318e+03    9.28221e+04    3.98112e+05   -2.33909e+04   -2.97385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64921e+04   -2.44648e+06    4.76764e+05   -1.96972e+06    2.61708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09095e+02   -2.07369e+02   -6.53809e+01    5.51199e-06


DD  step 244944999 load imb.: force 16.6%  pme mesh/force 0.739
           Step           Time
      244945000   489890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14698e+03    1.97474e+04    1.28772e+04    1.14200e+03   -2.99009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80500e+03    9.23440e+04    3.99597e+05   -2.33829e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64312e+04   -2.44823e+06    4.78729e+05   -1.96950e+06    2.61713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10369e+02   -2.07229e+02   -4.08916e+01    5.37127e-06


DD  step 244949999 load imb.: force 16.9%  pme mesh/force 0.763
           Step           Time
      244950000   489900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82519e+03    1.98049e+04    1.30550e+04    1.19567e+03   -3.10638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87313e+03    9.31381e+04    3.97680e+05   -2.34044e+04   -2.97315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65527e+04   -2.44554e+06    4.78850e+05   -1.96669e+06    2.61720e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10447e+02   -2.07609e+02   -4.23798e+01    5.43543e-06


DD  step 244954999 load imb.: force 16.4%  pme mesh/force 0.724
           Step           Time
      244955000   489910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95353e+03    1.94304e+04    1.30739e+04    1.18682e+03   -2.98560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95482e+03    9.28992e+04    4.01048e+05   -2.33728e+04   -2.97775e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64488e+04   -2.44712e+06    4.79962e+05   -1.96716e+06    2.61725e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.07049e+02    4.17616e+01    5.35852e-06


DD  step 244959999 load imb.: force 17.4%  pme mesh/force 0.774
           Step           Time
      244960000   489920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93738e+03    1.96697e+04    1.31648e+04    1.15400e+03   -3.01584e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84542e+03    9.31791e+04    4.01757e+05   -2.33786e+04   -2.98039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63433e+04   -2.44873e+06    4.81706e+05   -1.96702e+06    2.61731e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12298e+02   -2.07152e+02    2.66866e+01    5.36197e-06


DD  step 244964999 load imb.: force 16.3%  pme mesh/force 0.757
           Step           Time
      244965000   489930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12189e+03    1.95663e+04    1.31805e+04    1.17409e+03   -3.04255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87474e+03    9.33297e+04    3.99973e+05   -2.34281e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62704e+04   -2.44687e+06    4.80549e+05   -1.96632e+06    2.61737e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11549e+02   -2.08028e+02   -2.69035e+01    5.42498e-06


DD  step 244969999 load imb.: force 18.6%  pme mesh/force 0.780
           Step           Time
      244970000   489940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96629e+03    1.95511e+04    1.32229e+04    1.11343e+03   -3.18300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83552e+03    9.27129e+04    4.01103e+05   -2.33588e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65006e+04   -2.44713e+06    4.81656e+05   -1.96547e+06    2.61742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12266e+02   -2.06802e+02    2.34570e+01    5.40676e-06


DD  step 244974999 load imb.: force 16.4%  pme mesh/force 0.736
           Step           Time
      244975000   489950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22361e+03    1.91880e+04    1.28979e+04    1.11836e+03   -3.00849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80280e+03    9.30512e+04    3.99187e+05   -2.33587e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63648e+04   -2.44866e+06    4.79378e+05   -1.96928e+06    2.61749e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.06799e+02   -9.13139e+01    5.47868e-06


DD  step 244979999 load imb.: force 17.6%  pme mesh/force 0.757
           Step           Time
      244980000   489960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76085e+03    1.90542e+04    1.31133e+04    1.25452e+03   -3.10528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90516e+03    9.30749e+04    4.01355e+05   -2.34117e+04   -2.98184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63885e+04   -2.45145e+06    4.78682e+05   -1.97276e+06    2.61754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.07739e+02   -2.50400e+00    5.47144e-06


DD  step 244984999 load imb.: force 17.5%  pme mesh/force 0.746
           Step           Time
      244985000   489970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02421e+03    2.00202e+04    1.32233e+04    1.15731e+03   -3.14525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85067e+03    9.29214e+04    4.01394e+05   -2.33339e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61338e+04   -2.44548e+06    4.82662e+05   -1.96282e+06    2.61760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12918e+02   -2.06361e+02    1.27341e+01    5.54040e-06


DD  step 244989999 load imb.: force 17.0%  pme mesh/force 0.726
           Step           Time
      244990000   489980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05122e+03    1.91474e+04    1.32239e+04    1.18118e+03   -3.10549e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83858e+03    9.31247e+04    4.00031e+05   -2.34163e+04   -2.97729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63325e+04   -2.44788e+06    4.80006e+05   -1.96788e+06    2.61766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11197e+02   -2.07820e+02    4.99586e+01    5.42731e-06


DD  step 244994999 load imb.: force 15.9%  pme mesh/force 0.751
           Step           Time
      244995000   489990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21251e+03    1.93792e+04    1.31955e+04    1.16441e+03   -3.16068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73399e+03    9.31286e+04    4.00761e+05   -2.33603e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65599e+04   -2.44747e+06    4.80052e+05   -1.96742e+06    2.61772e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11226e+02   -2.06829e+02   -7.78619e+01    5.49084e-06


DD  step 244999999 load imb.: force 16.7%  pme mesh/force 0.726
           Step           Time
      245000000   490000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12060e+03    1.92701e+04    1.30873e+04    1.19821e+03   -3.04834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91754e+03    9.27245e+04    3.99328e+05   -2.33666e+04   -2.97458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64396e+04   -2.44590e+06    4.80264e+05   -1.96564e+06    2.61777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11364e+02   -2.06940e+02   -4.18771e+01    5.44833e-06


DD  step 245004999 load imb.: force 15.7%  pme mesh/force 0.737
           Step           Time
      245005000   490010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98790e+03    1.96868e+04    1.30406e+04    1.18082e+03   -3.09693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80464e+03    9.29799e+04    3.98727e+05   -2.34002e+04   -2.97192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63806e+04   -2.44363e+06    4.81991e+05   -1.96164e+06    2.61783e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12484e+02   -2.07535e+02    2.64470e+01    5.43630e-06


DD  step 245009999 load imb.: force 20.6%  pme mesh/force 0.785
           Step           Time
      245010000   490020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92957e+03    1.97433e+04    1.31818e+04    1.17508e+03   -3.12665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90677e+03    9.30347e+04    4.00633e+05   -2.33572e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64777e+04   -2.44526e+06    4.79516e+05   -1.96574e+06    2.61789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.06774e+02    6.59575e+01    5.43385e-06


DD  step 245014999 load imb.: force 17.0%  pme mesh/force 0.765
           Step           Time
      245015000   490030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94112e+03    1.95612e+04    1.31684e+04    1.22016e+03   -3.04533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86073e+03    9.26602e+04    4.02698e+05   -2.33841e+04   -2.97969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64870e+04   -2.44753e+06    4.81042e+05   -1.96648e+06    2.61795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11868e+02   -2.07249e+02    6.67709e+01    5.50464e-06


DD  step 245019999 load imb.: force 19.4%  pme mesh/force 0.761
           Step           Time
      245020000   490040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11458e+03    1.95104e+04    1.31020e+04    1.25526e+03   -3.07490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79371e+03    9.32674e+04    3.99171e+05   -2.33355e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65544e+04   -2.44408e+06    4.78780e+05   -1.96530e+06    2.61801e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10401e+02   -2.06390e+02   -6.19508e+01    5.54697e-06


DD  step 245024999 load imb.: force 17.3%  pme mesh/force 0.737
           Step           Time
      245025000   490050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87052e+03    1.92876e+04    1.31633e+04    1.10807e+03   -3.10070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85883e+03    9.28237e+04    4.02006e+05   -2.33765e+04   -2.97977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65217e+04   -2.44861e+06    4.79948e+05   -1.96866e+06    2.61806e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11159e+02   -2.07115e+02    2.09569e+00    5.56032e-06


DD  step 245029999 load imb.: force 15.4%  pme mesh/force 0.721
           Step           Time
      245030000   490060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96235e+03    1.95654e+04    1.28900e+04    1.18915e+03   -2.98189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87451e+03    9.28317e+04    3.99822e+05   -2.33943e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64014e+04   -2.44716e+06    4.80943e+05   -1.96621e+06    2.61812e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11804e+02   -2.07430e+02    3.17642e+01    5.33199e-06


DD  step 245034999 load imb.: force 15.5%  pme mesh/force 0.735
           Step           Time
      245035000   490070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81697e+03    1.90755e+04    1.31764e+04    1.18683e+03   -2.98305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87890e+03    9.35394e+04    4.00939e+05   -2.34127e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64774e+04   -2.44686e+06    4.78456e+05   -1.96841e+06    2.61818e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10191e+02   -2.07756e+02    9.20609e+01    5.38641e-06


DD  step 245039999 load imb.: force 15.2%  pme mesh/force 0.736
           Step           Time
      245040000   490080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12434e+03    1.94928e+04    1.30505e+04    1.16148e+03   -3.03030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82702e+03    9.26796e+04    3.97263e+05   -2.33910e+04   -2.97133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64449e+04   -2.44470e+06    4.79413e+05   -1.96529e+06    2.61824e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10812e+02   -2.07371e+02   -8.31876e+01    5.42977e-06


DD  step 245044999 load imb.: force 17.1%  pme mesh/force 0.734
           Step           Time
      245045000   490090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02409e+03    1.99428e+04    1.31861e+04    1.20371e+03   -3.04354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83699e+03    9.30313e+04    4.01674e+05   -2.34134e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63911e+04   -2.44559e+06    4.79666e+05   -1.96592e+06    2.61830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10976e+02   -2.07768e+02    7.38803e+01    5.38187e-06


DD  step 245049999 load imb.: force 17.6%  pme mesh/force 0.742
           Step           Time
      245050000   490100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91149e+03    1.91845e+04    1.30766e+04    1.14372e+03   -3.07380e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81002e+03    9.26743e+04    3.98284e+05   -2.33746e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64045e+04   -2.44795e+06    4.77168e+05   -1.97078e+06    2.61835e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09356e+02   -2.07081e+02   -1.03607e+02    5.38899e-06


DD  step 245054999 load imb.: force 16.5%  pme mesh/force 0.734
           Step           Time
      245055000   490110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12952e+03    1.98969e+04    1.29567e+04    1.21777e+03   -2.98923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98253e+03    9.23881e+04    3.97314e+05   -2.33729e+04   -2.97264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64842e+04   -2.44564e+06    4.80915e+05   -1.96472e+06    2.61841e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11786e+02   -2.07052e+02   -7.46458e+01    5.45886e-06


DD  step 245059999 load imb.: force 17.4%  pme mesh/force 0.749
           Step           Time
      245060000   490120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17573e+03    1.94903e+04    1.28831e+04    1.16976e+03   -3.10670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80855e+03    9.27795e+04    3.96751e+05   -2.33725e+04   -2.97115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63453e+04   -2.44523e+06    4.80009e+05   -1.96522e+06    2.61847e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11198e+02   -2.07044e+02   -1.13235e+02    5.48829e-06


DD  step 245064999 load imb.: force 18.9%  pme mesh/force 0.752
           Step           Time
      245065000   490130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96934e+03    1.98524e+04    1.31727e+04    1.15560e+03   -3.00426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86120e+03    9.31113e+04    3.99719e+05   -2.33602e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65772e+04   -2.44591e+06    4.81283e+05   -1.96463e+06    2.61853e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12024e+02   -2.06827e+02   -9.70384e+00    5.56685e-06


DD  step 245069999 load imb.: force 16.4%  pme mesh/force 0.740
           Step           Time
      245070000   490140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05960e+03    1.90027e+04    1.30848e+04    1.23139e+03   -3.04304e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70880e+03    9.31191e+04    4.00177e+05   -2.33446e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65877e+04   -2.44620e+06    4.79114e+05   -1.96709e+06    2.61858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10619e+02   -2.06550e+02   -7.75834e+01    5.47329e-06


DD  step 245074999 load imb.: force 19.9%  pme mesh/force 0.774
           Step           Time
      245075000   490150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20592e+03    1.94458e+04    1.30982e+04    1.12800e+03   -2.96075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73317e+03    9.25924e+04    3.97864e+05   -2.33613e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64734e+04   -2.44872e+06    4.81047e+05   -1.96768e+06    2.61864e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11871e+02   -2.06847e+02   -1.49808e+02    5.31913e-06


DD  step 245079999 load imb.: force 17.3%  pme mesh/force 0.763
           Step           Time
      245080000   490160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04749e+03    1.97052e+04    1.30463e+04    1.11859e+03   -2.94649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79114e+03    9.27558e+04    3.95511e+05   -2.33395e+04   -2.96983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67357e+04   -2.44441e+06    4.80050e+05   -1.96436e+06    2.61870e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11225e+02   -2.06461e+02   -1.60419e+02    5.48263e-06


DD  step 245084999 load imb.: force 17.3%  pme mesh/force 0.736
           Step           Time
      245085000   490170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06326e+03    1.90499e+04    1.29948e+04    1.14957e+03   -2.92527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78347e+03    9.27312e+04    4.01452e+05   -2.33729e+04   -2.97740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66007e+04   -2.44688e+06    4.79542e+05   -1.96733e+06    2.61876e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10895e+02   -2.07051e+02    3.10709e+00    5.51541e-06


DD  step 245089999 load imb.: force 15.1%  pme mesh/force 0.753
           Step           Time
      245090000   490180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81357e+03    1.89807e+04    1.30841e+04    1.18136e+03   -2.99926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88329e+03    9.33872e+04    4.01781e+05   -2.33457e+04   -2.98122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65648e+04   -2.44989e+06    4.78653e+05   -1.97124e+06    2.61882e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10319e+02   -2.06571e+02    2.75070e+01    5.55698e-06


DD  step 245094999 load imb.: force 17.6%  pme mesh/force 0.753
           Step           Time
      245095000   490190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91412e+03    1.94967e+04    1.30854e+04    1.16424e+03   -2.90442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76274e+03    9.29258e+04    3.99871e+05   -2.33590e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65725e+04   -2.44709e+06    4.79665e+05   -1.96743e+06    2.61888e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10975e+02   -2.06806e+02   -2.64873e+00    5.48171e-06

Writing checkpoint, step 245099150 at Wed Nov  8 14:16:28 2023



DD  step 245099999 load imb.: force 14.6%  pme mesh/force 0.720
           Step           Time
      245100000   490200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07625e+03    1.95247e+04    1.30411e+04    1.18651e+03   -3.07230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81442e+03    9.29449e+04    4.03572e+05   -2.33910e+04   -2.98250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65062e+04   -2.44929e+06    4.79066e+05   -1.97023e+06    2.61894e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10587e+02   -2.07372e+02    3.59453e+01    5.49656e-06


DD  step 245104999 load imb.: force 16.6%  pme mesh/force 0.738
           Step           Time
      245105000   490210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98321e+03    1.94269e+04    1.32089e+04    1.22057e+03   -3.04850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79221e+03    9.31428e+04    4.00885e+05   -2.34133e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64801e+04   -2.44834e+06    4.81095e+05   -1.96725e+06    2.61899e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11902e+02   -2.07767e+02   -1.30724e+00    5.49579e-06


DD  step 245109999 load imb.: force 16.1%  pme mesh/force 0.732
           Step           Time
      245110000   490220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07389e+03    1.96570e+04    1.30938e+04    1.12232e+03   -3.11114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86320e+03    9.29881e+04    3.99910e+05   -2.34162e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63479e+04   -2.44833e+06    4.78815e+05   -1.96951e+06    2.61905e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10425e+02   -2.07818e+02    6.51157e+00    5.64006e-06


DD  step 245114999 load imb.: force 18.6%  pme mesh/force 0.751
           Step           Time
      245115000   490230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18101e+03    1.90062e+04    1.31947e+04    1.25742e+03   -3.12747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79177e+03    9.30154e+04    4.01506e+05   -2.33769e+04   -2.97823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62293e+04   -2.44756e+06    4.79311e+05   -1.96824e+06    2.61911e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10746e+02   -2.07121e+02   -6.82068e-03    5.61059e-06


DD  step 245119999 load imb.: force 18.2%  pme mesh/force 0.757
           Step           Time
      245120000   490240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92833e+03    1.97212e+04    1.31671e+04    1.24002e+03   -3.08576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80758e+03    9.30898e+04    3.96649e+05   -2.33641e+04   -2.97209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66046e+04   -2.44533e+06    4.79664e+05   -1.96567e+06    2.61917e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10974e+02   -2.06895e+02   -9.74352e+01    5.66561e-06


DD  step 245124999 load imb.: force 16.1%  pme mesh/force 0.756
           Step           Time
      245125000   490250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88415e+03    1.92590e+04    1.32117e+04    1.19789e+03   -3.09864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83960e+03    9.34547e+04    4.00394e+05   -2.33677e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64771e+04   -2.44700e+06    4.78276e+05   -1.96873e+06    2.61922e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10075e+02   -2.06959e+02   -3.06080e+01    5.41516e-06


DD  step 245129999 load imb.: force 17.9%  pme mesh/force 0.758
           Step           Time
      245130000   490260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20370e+03    1.88182e+04    1.32286e+04    1.18614e+03   -3.08894e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87943e+03    9.30084e+04    4.03622e+05   -2.34483e+04   -2.98068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64933e+04   -2.44777e+06    4.79478e+05   -1.96829e+06    2.61928e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10854e+02   -2.08387e+02    9.55248e+01    5.52042e-06


DD  step 245134999 load imb.: force 17.9%  pme mesh/force 0.770
           Step           Time
      245135000   490270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10425e+03    1.95184e+04    1.30733e+04    1.16650e+03   -3.09538e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87372e+03    9.29491e+04    3.99590e+05   -2.33427e+04   -2.97437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63803e+04   -2.44516e+06    4.79206e+05   -1.96595e+06    2.61934e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10678e+02   -2.06517e+02   -9.25795e+00    5.71519e-06


DD  step 245139999 load imb.: force 16.5%  pme mesh/force 0.747
           Step           Time
      245140000   490280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65961e+03    1.94871e+04    1.31108e+04    1.27400e+03   -3.05593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88344e+03    9.25220e+04    4.02650e+05   -2.34181e+04   -2.98043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63570e+04   -2.44896e+06    4.80447e+05   -1.96851e+06    2.61940e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11483e+02   -2.07851e+02    4.95844e+01    5.48488e-06


DD  step 245144999 load imb.: force 15.1%  pme mesh/force 0.725
           Step           Time
      245145000   490290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09312e+03    1.95429e+04    1.30376e+04    1.17939e+03   -3.08705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82380e+03    9.27215e+04    3.99244e+05   -2.33678e+04   -2.97380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65235e+04   -2.44509e+06    4.80490e+05   -1.96460e+06    2.61945e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11510e+02   -2.06960e+02   -4.20401e+01    5.51251e-06


DD  step 245149999 load imb.: force 18.7%  pme mesh/force 0.749
           Step           Time
      245150000   490300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67818e+03    1.95108e+04    1.33278e+04    1.16350e+03   -3.01885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97933e+03    9.23319e+04    3.97693e+05   -2.33732e+04   -2.97351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64286e+04   -2.44679e+06    4.79060e+05   -1.96773e+06    2.61951e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10583e+02   -2.07056e+02   -3.26168e+01    5.56960e-06


DD  step 245154999 load imb.: force 14.6%  pme mesh/force 0.736
           Step           Time
      245155000   490310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98543e+03    1.93644e+04    1.32744e+04    1.23852e+03   -3.12081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85974e+03    9.29571e+04    4.02956e+05   -2.34127e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63494e+04   -2.44581e+06    4.79634e+05   -1.96617e+06    2.61957e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10955e+02   -2.07755e+02    1.16263e+02    5.46529e-06


DD  step 245159999 load imb.: force 16.7%  pme mesh/force 0.727
           Step           Time
      245160000   490320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99502e+03    1.95648e+04    1.33285e+04    1.13432e+03   -3.10506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92039e+03    9.18856e+04    4.01597e+05   -2.33432e+04   -2.97837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65608e+04   -2.44783e+06    4.79362e+05   -1.96847e+06    2.61963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10779e+02   -2.06526e+02    2.77626e+00    5.40187e-06


DD  step 245164999 load imb.: force 16.7%  pme mesh/force 0.708
           Step           Time
      245165000   490330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23909e+03    1.93855e+04    1.31649e+04    1.15674e+03   -2.98212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78233e+03    9.28300e+04    4.00727e+05   -2.34079e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65304e+04   -2.44660e+06    4.80684e+05   -1.96592e+06    2.61969e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11636e+02   -2.07670e+02    3.02019e+01    5.60622e-06


DD  step 245169999 load imb.: force 16.8%  pme mesh/force 0.726
           Step           Time
      245170000   490340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99859e+03    1.92053e+04    1.29387e+04    1.23753e+03   -2.99036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98078e+03    9.27337e+04    4.01184e+05   -2.33811e+04   -2.97968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65527e+04   -2.44922e+06    4.80530e+05   -1.96869e+06    2.61975e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11536e+02   -2.07197e+02   -1.94538e+01    5.61104e-06


DD  step 245174999 load imb.: force 18.0%  pme mesh/force 0.738
           Step           Time
      245175000   490350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28080e+03    1.92054e+04    1.31753e+04    1.08128e+03   -3.03226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67773e+03    9.27339e+04    3.99547e+05   -2.33688e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65480e+04   -2.44841e+06    4.80351e+05   -1.96806e+06    2.61980e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11420e+02   -2.06979e+02   -1.09277e+02    5.62759e-06


DD  step 245179999 load imb.: force 17.6%  pme mesh/force 0.732
           Step           Time
      245180000   490360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16817e+03    1.94865e+04    1.32531e+04    1.13949e+03   -3.03348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82426e+03    9.20211e+04    4.00988e+05   -2.33583e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65295e+04   -2.44514e+06    4.81473e+05   -1.96366e+06    2.61986e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12148e+02   -2.06793e+02    5.28610e+00    5.59448e-06


DD  step 245184999 load imb.: force 19.4%  pme mesh/force 0.728
           Step           Time
      245185000   490370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64186e+03    1.94071e+04    1.32468e+04    1.28219e+03   -3.12829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77824e+03    9.21303e+04    4.01240e+05   -2.33706e+04   -2.97701e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64659e+04   -2.44731e+06    4.79295e+05   -1.96802e+06    2.61992e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10735e+02   -2.07010e+02    1.07885e+01    5.64214e-06


DD  step 245189999 load imb.: force 18.7%  pme mesh/force 0.753
           Step           Time
      245190000   490380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22936e+03    1.93230e+04    1.32426e+04    1.14170e+03   -3.03308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87376e+03    9.25789e+04    4.04029e+05   -2.33478e+04   -2.97956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66228e+04   -2.44590e+06    4.79469e+05   -1.96643e+06    2.61998e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10848e+02   -2.06607e+02    8.44471e+01    5.42100e-06


DD  step 245194999 load imb.: force 18.5%  pme mesh/force 0.749
           Step           Time
      245195000   490390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96484e+03    1.94580e+04    1.33431e+04    1.17854e+03   -2.97078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83806e+03    9.28892e+04    3.99086e+05   -2.33961e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66534e+04   -2.44639e+06    4.80702e+05   -1.96569e+06    2.62004e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11647e+02   -2.07462e+02   -2.25574e+01    5.45345e-06


DD  step 245199999 load imb.: force 17.9%  pme mesh/force 0.759
           Step           Time
      245200000   490400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06204e+03    1.90444e+04    1.30705e+04    1.10509e+03   -2.99760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81269e+03    9.31853e+04    3.98511e+05   -2.33996e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64253e+04   -2.44923e+06    4.79575e+05   -1.96965e+06    2.62009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10917e+02   -2.07523e+02   -6.48875e+01    5.58974e-06


DD  step 245204999 load imb.: force 15.0%  pme mesh/force 0.742
           Step           Time
      245205000   490410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04724e+03    1.93612e+04    1.32241e+04    1.17263e+03   -3.15210e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85505e+03    9.26242e+04    4.00571e+05   -2.33344e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66379e+04   -2.44441e+06    4.78828e+05   -1.96558e+06    2.62016e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10433e+02   -2.06370e+02    2.81957e+01    5.71576e-06


DD  step 245209999 load imb.: force 16.7%  pme mesh/force 0.736
           Step           Time
      245210000   490420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07897e+03    1.96075e+04    1.29657e+04    1.12187e+03   -3.07791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82307e+03    9.27714e+04    4.01054e+05   -2.33499e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66954e+04   -2.44805e+06    4.80538e+05   -1.96751e+06    2.62022e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.06645e+02   -6.80186e+00    5.50164e-06


DD  step 245214999 load imb.: force 17.1%  pme mesh/force 0.772
           Step           Time
      245215000   490430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90029e+03    1.97033e+04    1.31682e+04    1.27354e+03   -3.20718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87519e+03    9.29591e+04    4.03652e+05   -2.34183e+04   -2.98216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63353e+04   -2.44892e+06    4.81822e+05   -1.96710e+06    2.62027e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12374e+02   -2.07856e+02    7.86456e+01    5.58692e-06


DD  step 245219999 load imb.: force 19.3%  pme mesh/force 0.791
           Step           Time
      245220000   490440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84601e+03    1.95836e+04    1.31226e+04    1.22326e+03   -3.04659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85790e+03    9.32119e+04    4.00915e+05   -2.33284e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65296e+04   -2.44646e+06    4.80759e+05   -1.96570e+06    2.62033e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11684e+02   -2.06264e+02    1.97783e+01    5.64431e-06


DD  step 245224999 load imb.: force 16.1%  pme mesh/force 0.735
           Step           Time
      245225000   490450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88306e+03    1.94187e+04    1.31810e+04    1.26597e+03   -3.01326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84078e+03    9.28224e+04    4.00769e+05   -2.34325e+04   -2.97808e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64320e+04   -2.44791e+06    4.78849e+05   -1.96906e+06    2.62038e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10447e+02   -2.08106e+02   -2.01317e+00    5.60449e-06


DD  step 245229999 load imb.: force 16.8%  pme mesh/force 0.739
           Step           Time
      245230000   490460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92988e+03    1.94069e+04    1.31720e+04    1.19467e+03   -3.10282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84132e+03    9.33124e+04    3.98584e+05   -2.34271e+04   -2.97354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63808e+04   -2.44524e+06    4.79409e+05   -1.96584e+06    2.62044e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10809e+02   -2.08012e+02    2.33421e+01    5.47705e-06


DD  step 245234999 load imb.: force 18.1%  pme mesh/force 0.721
           Step           Time
      245235000   490470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23425e+03    1.94950e+04    1.31912e+04    1.25356e+03   -3.01701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79898e+03    9.28573e+04    3.98648e+05   -2.33992e+04   -2.97396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65208e+04   -2.44537e+06    4.81069e+05   -1.96430e+06    2.62050e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11885e+02   -2.07517e+02   -2.55517e+01    5.59234e-06


DD  step 245239999 load imb.: force 18.9%  pme mesh/force 0.744
           Step           Time
      245240000   490480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11629e+03    1.93040e+04    1.33204e+04    1.10795e+03   -3.07258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73771e+03    9.32311e+04    4.00928e+05   -2.33820e+04   -2.97674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65111e+04   -2.44594e+06    4.76936e+05   -1.96901e+06    2.62056e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09206e+02   -2.07213e+02    9.96623e+00    5.54605e-06


DD  step 245244999 load imb.: force 17.9%  pme mesh/force 0.747
           Step           Time
      245245000   490490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05793e+03    1.95230e+04    1.30273e+04    1.19456e+03   -3.04630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81651e+03    9.30673e+04    4.00344e+05   -2.33702e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66614e+04   -2.44589e+06    4.79402e+05   -1.96649e+06    2.62062e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10805e+02   -2.07004e+02    6.03056e+00    5.51129e-06


DD  step 245249999 load imb.: force 21.2%  pme mesh/force 0.760
           Step           Time
      245250000   490500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00756e+03    1.90878e+04    1.29763e+04    1.16484e+03   -3.13397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97477e+03    9.36244e+04    4.01924e+05   -2.33528e+04   -2.98068e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66921e+04   -2.44872e+06    4.78525e+05   -1.97019e+06    2.62068e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10236e+02   -2.06696e+02    3.44734e+01    5.41607e-06


DD  step 245254999 load imb.: force 16.7%  pme mesh/force 0.724
           Step           Time
      245255000   490510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06242e+03    1.93330e+04    1.30634e+04    1.21031e+03   -2.95568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88719e+03    9.27844e+04    3.99565e+05   -2.33169e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67834e+04   -2.44484e+06    4.80374e+05   -1.96447e+06    2.62074e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.06061e+02   -6.28264e+01    5.70832e-06


DD  step 245259999 load imb.: force 18.4%  pme mesh/force 0.716
           Step           Time
      245260000   490520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06505e+03    1.95523e+04    1.30923e+04    1.17830e+03   -3.04552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78126e+03    9.31828e+04    4.00603e+05   -2.33658e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64088e+04   -2.44696e+06    4.80392e+05   -1.96657e+06    2.62080e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11447e+02   -2.06926e+02   -1.97968e+01    5.56177e-06


DD  step 245264999 load imb.: force 16.2%  pme mesh/force 0.739
           Step           Time
      245265000   490530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02847e+03    1.95930e+04    1.29512e+04    1.24471e+03   -3.05331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84628e+03    9.30475e+04    4.01226e+05   -2.33720e+04   -2.97546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65961e+04   -2.44435e+06    4.80876e+05   -1.96347e+06    2.62085e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11760e+02   -2.07035e+02    6.56555e+01    5.50059e-06


DD  step 245269999 load imb.: force 18.1%  pme mesh/force 0.770
           Step           Time
      245270000   490540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84565e+03    1.93828e+04    1.30194e+04    1.18683e+03   -3.01430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85157e+03    9.30227e+04    4.01186e+05   -2.34157e+04   -2.97862e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64252e+04   -2.44813e+06    4.79848e+05   -1.96828e+06    2.62091e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11094e+02   -2.07810e+02    4.92120e+01    5.68063e-06


DD  step 245274999 load imb.: force 16.3%  pme mesh/force 0.738
           Step           Time
      245275000   490550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23606e+03    1.96069e+04    1.32203e+04    1.18390e+03   -3.10131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75825e+03    9.29460e+04    3.97643e+05   -2.34169e+04   -2.97109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65156e+04   -2.44349e+06    4.79826e+05   -1.96367e+06    2.62097e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11080e+02   -2.07831e+02   -3.37487e+01    5.47311e-06


DD  step 245279999 load imb.: force 18.1%  pme mesh/force 0.785
           Step           Time
      245280000   490560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73903e+03    1.87984e+04    1.30694e+04    1.12359e+03   -3.00828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81223e+03    9.32385e+04    4.04765e+05   -2.33948e+04   -2.98345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62812e+04   -2.45002e+06    4.76178e+05   -1.97384e+06    2.62103e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08715e+02   -2.07438e+02    1.45068e+02    5.38969e-06


DD  step 245284999 load imb.: force 18.2%  pme mesh/force 0.755
           Step           Time
      245285000   490570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94394e+03    1.95230e+04    1.28786e+04    1.13154e+03   -2.93040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79529e+03    9.28593e+04    4.00839e+05   -2.33573e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65022e+04   -2.44814e+06    4.80239e+05   -1.96790e+06    2.62108e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11347e+02   -2.06775e+02    6.10556e+00    5.66687e-06


DD  step 245289999 load imb.: force 19.9%  pme mesh/force 0.773
           Step           Time
      245290000   490580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28954e+03    1.97429e+04    1.29632e+04    1.13327e+03   -3.01073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70164e+03    9.28009e+04    3.99614e+05   -2.33643e+04   -2.97497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64115e+04   -2.44569e+06    4.80380e+05   -1.96531e+06    2.62114e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11439e+02   -2.06899e+02   -5.05125e+01    5.30851e-06


DD  step 245294999 load imb.: force 16.0%  pme mesh/force 0.723
           Step           Time
      245295000   490590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15781e+03    1.93311e+04    1.30391e+04    1.19028e+03   -2.97129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70912e+03    9.28461e+04    4.01955e+05   -2.33853e+04   -2.97980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66721e+04   -2.44825e+06    4.80454e+05   -1.96780e+06    2.62120e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11487e+02   -2.07271e+02   -4.57158e+01    5.59403e-06


DD  step 245299999 load imb.: force 17.4%  pme mesh/force 0.744
           Step           Time
      245300000   490600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24654e+03    1.95286e+04    1.30570e+04    1.18914e+03   -2.95924e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78441e+03    9.26142e+04    3.97750e+05   -2.33680e+04   -2.97149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66404e+04   -2.44401e+06    4.80081e+05   -1.96393e+06    2.62126e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11245e+02   -2.06964e+02   -3.65114e+01    5.38648e-06


DD  step 245304999 load imb.: force 16.9%  pme mesh/force 0.750
           Step           Time
      245305000   490610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14418e+03    1.95576e+04    1.31329e+04    1.16371e+03   -3.03968e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86079e+03    9.32349e+04    4.00434e+05   -2.34215e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63335e+04   -2.44648e+06    4.81177e+05   -1.96530e+06    2.62132e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11956e+02   -2.07911e+02   -6.39240e+00    5.63590e-06


DD  step 245309999 load imb.: force 16.8%  pme mesh/force 0.770
           Step           Time
      245310000   490620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85448e+03    1.91516e+04    1.33519e+04    1.20805e+03   -3.08041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96623e+03    9.30111e+04    4.02091e+05   -2.33635e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65336e+04   -2.44734e+06    4.80482e+05   -1.96686e+06    2.62137e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11505e+02   -2.06885e+02    5.64397e+01    5.49847e-06


DD  step 245314999 load imb.: force 18.0%  pme mesh/force 0.776
           Step           Time
      245315000   490630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11773e+03    1.93732e+04    1.30755e+04    1.19053e+03   -3.08005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92743e+03    9.26921e+04    3.98471e+05   -2.33527e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63868e+04   -2.44708e+06    4.78929e+05   -1.96815e+06    2.62143e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10498e+02   -2.06694e+02   -4.27690e+01    5.63118e-06


DD  step 245319999 load imb.: force 18.1%  pme mesh/force 0.787
           Step           Time
      245320000   490640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83967e+03    1.95059e+04    1.31366e+04    1.20432e+03   -3.06049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87413e+03    9.36380e+04    3.97069e+05   -2.33398e+04   -2.97332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63600e+04   -2.44609e+06    4.78489e+05   -1.96760e+06    2.62149e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10213e+02   -2.06466e+02   -1.00811e+02    5.55149e-06


DD  step 245324999 load imb.: force 17.9%  pme mesh/force 0.801
           Step           Time
      245325000   490650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09821e+03    1.96738e+04    1.30145e+04    1.19905e+03   -3.05792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79667e+03    9.31953e+04    3.98378e+05   -2.33765e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67573e+04   -2.44630e+06    4.77273e+05   -1.96903e+06    2.62156e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09425e+02   -2.07115e+02   -1.83777e+01    5.50205e-06


DD  step 245329999 load imb.: force 18.1%  pme mesh/force 0.775
           Step           Time
      245330000   490660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11503e+03    1.93459e+04    1.31749e+04    1.18168e+03   -3.21201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85948e+03    9.31990e+04    4.00618e+05   -2.33889e+04   -2.97842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63945e+04   -2.44813e+06    4.81351e+05   -1.96678e+06    2.62161e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12069e+02   -2.07335e+02    4.93628e+01    5.46096e-06


DD  step 245334999 load imb.: force 18.9%  pme mesh/force 0.803
           Step           Time
      245335000   490670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01371e+03    1.94527e+04    1.30707e+04    1.18295e+03   -3.07857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88554e+03    9.32511e+04    3.97702e+05   -2.33605e+04   -2.97339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67062e+04   -2.44557e+06    4.77675e+05   -1.96789e+06    2.62167e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09685e+02   -2.06833e+02   -2.42391e+01    5.68239e-06


DD  step 245339999 load imb.: force 18.0%  pme mesh/force 0.751
           Step           Time
      245340000   490680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83977e+03    1.92435e+04    1.31084e+04    1.14050e+03   -2.98329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75009e+03    9.30105e+04    4.01595e+05   -2.33626e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64824e+04   -2.44786e+06    4.77732e+05   -1.97013e+06    2.62173e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09722e+02   -2.06868e+02   -1.19843e+01    5.40618e-06


DD  step 245344999 load imb.: force 16.9%  pme mesh/force 0.774
           Step           Time
      245345000   490690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02632e+03    1.96189e+04    1.30751e+04    1.23184e+03   -3.10012e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85053e+03    9.31287e+04    4.00494e+05   -2.33730e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63996e+04   -2.44719e+06    4.79554e+05   -1.96764e+06    2.62178e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10903e+02   -2.07053e+02   -2.22621e+01    5.48183e-06


DD  step 245349999 load imb.: force 18.4%  pme mesh/force 0.737
           Step           Time
      245350000   490700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02977e+03    1.92756e+04    1.30943e+04    1.24235e+03   -3.03372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82319e+03    9.30212e+04    4.04631e+05   -2.33294e+04   -2.98226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63777e+04   -2.44813e+06    4.80200e+05   -1.96793e+06    2.62184e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11322e+02   -2.06282e+02    6.39989e+01    5.57379e-06


DD  step 245354999 load imb.: force 16.0%  pme mesh/force 0.728
           Step           Time
      245355000   490710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96362e+03    1.94664e+04    1.32131e+04    1.15930e+03   -3.04143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89688e+03    9.34602e+04    4.01109e+05   -2.33835e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64633e+04   -2.44680e+06    4.79875e+05   -1.96692e+06    2.62190e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11112e+02   -2.07239e+02    4.81998e+01    5.33604e-06


DD  step 245359999 load imb.: force 19.0%  pme mesh/force 0.769
           Step           Time
      245360000   490720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01805e+03    1.93449e+04    1.30579e+04    1.22373e+03   -2.96890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73679e+03    9.30599e+04    4.02196e+05   -2.34020e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65267e+04   -2.44791e+06    4.80209e+05   -1.96770e+06    2.62196e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.07567e+02    3.72218e+01    5.46160e-06


DD  step 245364999 load imb.: force 16.3%  pme mesh/force 0.717
           Step           Time
      245365000   490730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95473e+03    1.94524e+04    1.29912e+04    1.17099e+03   -3.04594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74743e+03    9.29432e+04    3.98762e+05   -2.33771e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65026e+04   -2.44725e+06    4.81172e+05   -1.96608e+06    2.62202e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11952e+02   -2.07126e+02   -1.29858e+01    5.26951e-06


DD  step 245369999 load imb.: force 19.3%  pme mesh/force 0.773
           Step           Time
      245370000   490740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12971e+03    1.94593e+04    1.29794e+04    1.18381e+03   -2.88348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71306e+03    9.25603e+04    3.99666e+05   -2.34048e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63719e+04   -2.44540e+06    4.79201e+05   -1.96620e+06    2.62207e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10675e+02   -2.07616e+02    9.98209e+00    5.40043e-06


DD  step 245374999 load imb.: force 18.0%  pme mesh/force 0.760
           Step           Time
      245375000   490750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98590e+03    1.92992e+04    1.31391e+04    1.18695e+03   -3.10104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68385e+03    9.24386e+04    4.00198e+05   -2.33651e+04   -2.97810e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64248e+04   -2.44921e+06    4.80047e+05   -1.96917e+06    2.62213e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11223e+02   -2.06914e+02   -6.96385e+01    5.71615e-06


DD  step 245379999 load imb.: force 20.5%  pme mesh/force 0.801
           Step           Time
      245380000   490760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97837e+03    1.94471e+04    1.30990e+04    1.28566e+03   -3.04943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81756e+03    9.23638e+04    3.98581e+05   -2.33245e+04   -2.97320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66813e+04   -2.44532e+06    4.79492e+05   -1.96583e+06    2.62219e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10863e+02   -2.06196e+02   -7.71318e+01    5.47367e-06


DD  step 245384999 load imb.: force 18.2%  pme mesh/force 0.766
           Step           Time
      245385000   490770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90773e+03    1.91660e+04    1.31158e+04    1.24979e+03   -3.07816e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.04317e+03    9.25826e+04    4.00913e+05   -2.33822e+04   -2.97966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64491e+04   -2.44970e+06    4.78366e+05   -1.97133e+06    2.62225e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10133e+02   -2.07215e+02    6.49278e+00    5.48378e-06


DD  step 245389999 load imb.: force 18.9%  pme mesh/force 0.764
           Step           Time
      245390000   490780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92723e+03    1.95723e+04    1.31442e+04    1.20063e+03   -2.93867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82263e+03    9.26725e+04    4.01336e+05   -2.33512e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65821e+04   -2.44782e+06    4.79298e+05   -1.96852e+06    2.62231e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.06668e+02   -4.79904e-01    5.42350e-06


DD  step 245394999 load imb.: force 18.6%  pme mesh/force 0.781
           Step           Time
      245395000   490790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88683e+03    1.92042e+04    1.29732e+04    1.17266e+03   -2.94277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84941e+03    9.25649e+04    3.99708e+05   -2.34395e+04   -2.97632e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64043e+04   -2.44794e+06    4.78053e+05   -1.96989e+06    2.62236e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09930e+02   -2.08232e+02   -2.23506e+01    5.75304e-06


DD  step 245399999 load imb.: force 18.6%  pme mesh/force 0.787
           Step           Time
      245400000   490800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17434e+03    1.93122e+04    1.30307e+04    1.07396e+03   -2.97824e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89183e+03    9.30985e+04    3.98255e+05   -2.33699e+04   -2.97403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65646e+04   -2.44598e+06    4.80550e+05   -1.96543e+06    2.62242e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11549e+02   -2.06998e+02   -4.40646e+01    5.49309e-06


DD  step 245404999 load imb.: force 19.7%  pme mesh/force 0.813
           Step           Time
      245405000   490810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88254e+03    1.94412e+04    1.31369e+04    1.25995e+03   -2.95587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89765e+03    9.28350e+04    3.99464e+05   -2.34042e+04   -2.97646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65536e+04   -2.44735e+06    4.80870e+05   -1.96648e+06    2.62248e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11757e+02   -2.07605e+02    2.38520e+01    5.59240e-06


DD  step 245409999 load imb.: force 18.8%  pme mesh/force 0.786
           Step           Time
      245410000   490820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87615e+03    1.96915e+04    1.30175e+04    1.18329e+03   -3.00675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81230e+03    9.23516e+04    4.05873e+05   -2.34480e+04   -2.98425e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63740e+04   -2.44953e+06    4.78799e+05   -1.97073e+06    2.62254e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10414e+02   -2.08381e+02    1.55200e+02    5.59095e-06


DD  step 245414999 load imb.: force 18.1%  pme mesh/force 0.784
           Step           Time
      245415000   490830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05295e+03    1.91412e+04    1.28513e+04    1.13521e+03   -2.96692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81602e+03    9.24444e+04    4.00657e+05   -2.33759e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64031e+04   -2.44915e+06    4.78749e+05   -1.97040e+06    2.62260e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10381e+02   -2.07104e+02   -9.00378e+01    5.35107e-06


DD  step 245419999 load imb.: force 17.2%  pme mesh/force 0.757
           Step           Time
      245420000   490840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96944e+03    1.91868e+04    1.29337e+04    1.16322e+03   -3.04316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88085e+03    9.28558e+04    4.01526e+05   -2.34256e+04   -2.98073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64802e+04   -2.45021e+06    4.77140e+05   -1.97307e+06    2.62266e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09338e+02   -2.07985e+02    2.62716e+01    5.40626e-06


DD  step 245424999 load imb.: force 16.0%  pme mesh/force 0.751
           Step           Time
      245425000   490850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19586e+03    1.93741e+04    1.31392e+04    1.14435e+03   -3.02288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69500e+03    9.25125e+04    3.98743e+05   -2.33756e+04   -2.97521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65954e+04   -2.44721e+06    4.80238e+05   -1.96697e+06    2.62272e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11347e+02   -2.07099e+02   -1.16749e+02    5.45979e-06

Writing checkpoint, step 245428350 at Wed Nov  8 14:31:28 2023



DD  step 245429999 load imb.: force 17.8%  pme mesh/force 0.764
           Step           Time
      245430000   490860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97266e+03    1.92262e+04    1.31624e+04    1.17367e+03   -2.94429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83853e+03    9.31321e+04    3.99905e+05   -2.34038e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65648e+04   -2.44381e+06    4.79227e+05   -1.96459e+06    2.62277e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10691e+02   -2.07599e+02    3.82816e+01    5.63404e-06


DD  step 245434999 load imb.: force 17.5%  pme mesh/force 0.765
           Step           Time
      245435000   490870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04850e+03    1.95455e+04    1.32469e+04    1.19863e+03   -3.01271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78958e+03    9.26378e+04    3.99361e+05   -2.33698e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67293e+04   -2.44699e+06    4.79942e+05   -1.96705e+06    2.62283e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11155e+02   -2.06996e+02   -5.58539e+01    5.55238e-06


DD  step 245439999 load imb.: force 21.6%  pme mesh/force 0.770
           Step           Time
      245440000   490880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81772e+03    1.90894e+04    1.28377e+04    1.15640e+03   -2.82888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93272e+03    9.28627e+04    4.00052e+05   -2.33626e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66698e+04   -2.44746e+06    4.81558e+05   -1.96590e+06    2.62289e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12203e+02   -2.06869e+02   -3.10553e+01    5.53891e-06


DD  step 245444999 load imb.: force 18.9%  pme mesh/force 0.766
           Step           Time
      245445000   490890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90113e+03    1.96456e+04    1.29998e+04    1.20443e+03   -2.96483e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71595e+03    9.26189e+04    4.04153e+05   -2.33959e+04   -2.98153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64726e+04   -2.44818e+06    4.81163e+05   -1.96702e+06    2.62294e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11947e+02   -2.07459e+02    7.71002e+01    5.43612e-06


DD  step 245449999 load imb.: force 18.9%  pme mesh/force 0.758
           Step           Time
      245450000   490900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69785e+03    1.94622e+04    1.29655e+04    1.14350e+03   -2.97075e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91645e+03    9.26211e+04    4.02032e+05   -2.34015e+04   -2.97875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64317e+04   -2.44786e+06    4.79335e+05   -1.96852e+06    2.62301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10762e+02   -2.07557e+02    6.20975e+01    5.54611e-06


DD  step 245454999 load imb.: force 18.1%  pme mesh/force 0.734
           Step           Time
      245455000   490910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17533e+03    1.92845e+04    1.30864e+04    1.20818e+03   -3.01866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78155e+03    9.20941e+04    3.99675e+05   -2.34175e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63736e+04   -2.44787e+06    4.79652e+05   -1.96822e+06    2.62306e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10967e+02   -2.07840e+02    1.41521e+01    5.43650e-06


DD  step 245459999 load imb.: force 18.2%  pme mesh/force 0.772
           Step           Time
      245460000   490920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26336e+03    1.92385e+04    1.29471e+04    1.14061e+03   -2.89769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76822e+03    9.26989e+04    4.00392e+05   -2.33457e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66294e+04   -2.44568e+06    4.79035e+05   -1.96664e+06    2.62312e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10567e+02   -2.06570e+02   -5.21512e+01    5.50652e-06


DD  step 245464999 load imb.: force 17.5%  pme mesh/force 0.741
           Step           Time
      245465000   490930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95031e+03    1.98768e+04    1.32552e+04    1.21786e+03   -3.11151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84457e+03    9.20300e+04    4.00902e+05   -2.34081e+04   -2.97738e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64388e+04   -2.44738e+06    4.80022e+05   -1.96736e+06    2.62318e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.07674e+02    4.62993e+01    5.37611e-06


DD  step 245469999 load imb.: force 17.8%  pme mesh/force 0.757
           Step           Time
      245470000   490940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93531e+03    1.90156e+04    1.30081e+04    1.22457e+03   -3.00252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83448e+03    9.24414e+04    3.99630e+05   -2.33784e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65098e+04   -2.44794e+06    4.77822e+05   -1.97012e+06    2.62323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09781e+02   -2.07148e+02   -4.64517e+01    5.41648e-06


DD  step 245474999 load imb.: force 16.3%  pme mesh/force 0.758
           Step           Time
      245475000   490950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13124e+03    1.98686e+04    1.31431e+04    1.25078e+03   -3.04356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80467e+03    9.30453e+04    3.98340e+05   -2.33850e+04   -2.97162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63671e+04   -2.44310e+06    4.81584e+05   -1.96151e+06    2.62330e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12220e+02   -2.07265e+02   -1.02892e+01    5.42175e-06


DD  step 245479999 load imb.: force 17.9%  pme mesh/force 0.751
           Step           Time
      245480000   490960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05258e+03    1.92639e+04    1.31801e+04    1.14602e+03   -3.08787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86409e+03    9.29106e+04    3.98446e+05   -2.33877e+04   -2.97436e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65728e+04   -2.44640e+06    4.79024e+05   -1.96738e+06    2.62335e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10560e+02   -2.07313e+02   -1.14167e+01    5.44052e-06


DD  step 245484999 load imb.: force 18.0%  pme mesh/force 0.726
           Step           Time
      245485000   490970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18948e+03    1.95733e+04    1.31177e+04    1.23465e+03   -2.99097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72784e+03    9.24284e+04    3.99973e+05   -2.33993e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65273e+04   -2.44753e+06    4.82140e+05   -1.96539e+06    2.62341e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12580e+02   -2.07518e+02   -4.17356e+01    5.38716e-06


DD  step 245489999 load imb.: force 18.3%  pme mesh/force 0.722
           Step           Time
      245490000   490980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91965e+03    1.93839e+04    1.29956e+04    1.12468e+03   -3.07573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95630e+03    9.27521e+04    4.01675e+05   -2.34223e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64907e+04   -2.44818e+06    4.80460e+05   -1.96772e+06    2.62347e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11491e+02   -2.07926e+02    4.32847e+01    5.48744e-06


DD  step 245494999 load imb.: force 16.1%  pme mesh/force 0.732
           Step           Time
      245495000   490990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03874e+03    1.94185e+04    1.30197e+04    1.12928e+03   -3.10215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81629e+03    9.26114e+04    4.01387e+05   -2.34373e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65205e+04   -2.44725e+06    4.80138e+05   -1.96711e+06    2.62352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11282e+02   -2.08192e+02    4.52113e+01    5.67559e-06


DD  step 245499999 load imb.: force 19.0%  pme mesh/force 0.767
           Step           Time
      245500000   491000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92748e+03    1.91668e+04    1.31765e+04    1.19059e+03   -2.96401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82621e+03    9.29702e+04    3.98638e+05   -2.33738e+04   -2.97653e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66052e+04   -2.44836e+06    4.79672e+05   -1.96869e+06    2.62358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.07067e+02   -8.01598e+01    5.38115e-06


DD  step 245504999 load imb.: force 19.3%  pme mesh/force 0.770
           Step           Time
      245505000   491010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25296e+03    1.93352e+04    1.30400e+04    1.19232e+03   -3.09032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85278e+03    9.29680e+04    4.01820e+05   -2.33639e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65830e+04   -2.44654e+06    4.79159e+05   -1.96738e+06    2.62364e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10647e+02   -2.06891e+02    9.46199e+00    5.45254e-06


DD  step 245509999 load imb.: force 18.1%  pme mesh/force 0.739
           Step           Time
      245510000   491020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00177e+03    1.96315e+04    1.31258e+04    1.18723e+03   -3.00410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76258e+03    9.31836e+04    3.97968e+05   -2.33552e+04   -2.97255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63649e+04   -2.44469e+06    4.81271e+05   -1.96341e+06    2.62370e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12017e+02   -2.06738e+02   -3.16824e+01    5.56703e-06


DD  step 245514999 load imb.: force 17.3%  pme mesh/force 0.735
           Step           Time
      245515000   491030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12102e+03    1.95658e+04    1.30414e+04    1.17709e+03   -3.07884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90907e+03    9.28628e+04    3.98274e+05   -2.33979e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65253e+04   -2.44749e+06    4.79583e+05   -1.96790e+06    2.62376e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10922e+02   -2.07493e+02    1.74123e+01    5.40310e-06


DD  step 245519999 load imb.: force 17.1%  pme mesh/force 0.745
           Step           Time
      245520000   491040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02803e+03    1.95714e+04    1.30745e+04    1.26602e+03   -3.06572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89455e+03    9.19213e+04    3.99610e+05   -2.33631e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64152e+04   -2.44591e+06    4.79323e+05   -1.96659e+06    2.62381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10754e+02   -2.06878e+02    6.10623e+00    5.50603e-06


DD  step 245524999 load imb.: force 15.1%  pme mesh/force 0.729
           Step           Time
      245525000   491050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11893e+03    1.93292e+04    1.31387e+04    1.21372e+03   -3.02684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78452e+03    9.25943e+04    3.98479e+05   -2.33960e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63302e+04   -2.44777e+06    4.79346e+05   -1.96843e+06    2.62387e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10769e+02   -2.07459e+02   -6.45114e+01    5.39492e-06


DD  step 245529999 load imb.: force 17.8%  pme mesh/force 0.744
           Step           Time
      245530000   491060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23985e+03    1.96157e+04    1.30098e+04    1.18669e+03   -3.04906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71555e+03    9.23996e+04    4.00122e+05   -2.34032e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67533e+04   -2.44602e+06    4.81812e+05   -1.96421e+06    2.62392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12367e+02   -2.07588e+02   -2.06195e+01    5.49057e-06


DD  step 245534999 load imb.: force 15.6%  pme mesh/force 0.742
           Step           Time
      245535000   491070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15616e+03    1.92544e+04    1.33516e+04    1.25877e+03   -3.13496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84096e+03    9.23492e+04    4.03048e+05   -2.33849e+04   -2.97925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65314e+04   -2.44698e+06    4.79236e+05   -1.96774e+06    2.62399e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.07264e+02    5.62233e+01    5.51225e-06


DD  step 245539999 load imb.: force 18.3%  pme mesh/force 0.733
           Step           Time
      245540000   491080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91398e+03    1.95083e+04    1.32548e+04    1.17807e+03   -3.12021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80821e+03    9.27292e+04    3.97911e+05   -2.33816e+04   -2.97586e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66592e+04   -2.44840e+06    4.77881e+05   -1.97051e+06    2.62404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09818e+02   -2.07204e+02   -1.27280e+02    5.47815e-06


DD  step 245544999 load imb.: force 19.7%  pme mesh/force 0.764
           Step           Time
      245545000   491090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13097e+03    1.92349e+04    1.31239e+04    1.23551e+03   -3.00323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80983e+03    9.30035e+04    4.02039e+05   -2.33617e+04   -2.98212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65911e+04   -2.45031e+06    4.80031e+05   -1.97028e+06    2.62410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.06853e+02   -4.08556e+01    5.35720e-06


DD  step 245549999 load imb.: force 18.3%  pme mesh/force 0.736
           Step           Time
      245550000   491100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97347e+03    1.94520e+04    1.29924e+04    1.18121e+03   -2.97905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88477e+03    9.25125e+04    4.00657e+05   -2.33834e+04   -2.97719e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64564e+04   -2.44744e+06    4.78898e+05   -1.96855e+06    2.62417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10478e+02   -2.07237e+02    1.48427e+01    5.47910e-06


DD  step 245554999 load imb.: force 16.8%  pme mesh/force 0.732
           Step           Time
      245555000   491110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93765e+03    1.93971e+04    1.30971e+04    1.16600e+03   -3.06024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79926e+03    9.27002e+04    3.99947e+05   -2.33835e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64259e+04   -2.44578e+06    4.80946e+05   -1.96483e+06    2.62422e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11806e+02   -2.07239e+02    1.57976e+01    5.40882e-06


DD  step 245559999 load imb.: force 16.1%  pme mesh/force 0.687
           Step           Time
      245560000   491120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12663e+03    1.97104e+04    1.30611e+04    1.16590e+03   -3.09020e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86091e+03    9.25703e+04    4.00606e+05   -2.33580e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64415e+04   -2.44715e+06    4.77937e+05   -1.96921e+06    2.62428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09855e+02   -2.06788e+02   -4.31309e+01    5.48033e-06


DD  step 245564999 load imb.: force 17.7%  pme mesh/force 0.735
           Step           Time
      245565000   491130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92009e+03    1.93217e+04    1.30188e+04    1.25276e+03   -3.02550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84913e+03    9.25556e+04    3.99829e+05   -2.33987e+04   -2.97594e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64251e+04   -2.44719e+06    4.78120e+05   -1.96907e+06    2.62433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.07508e+02   -9.08554e-01    5.52537e-06


DD  step 245569999 load imb.: force 15.7%  pme mesh/force 0.696
           Step           Time
      245570000   491140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06158e+03    1.91440e+04    1.32184e+04    1.21127e+03   -3.04736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83938e+03    9.30133e+04    3.99396e+05   -2.34018e+04   -2.97885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62322e+04   -2.45019e+06    4.79648e+05   -1.97054e+06    2.62439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10964e+02   -2.07564e+02   -6.12378e+01    5.41098e-06


DD  step 245574999 load imb.: force 18.0%  pme mesh/force 0.733
           Step           Time
      245575000   491150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79916e+03    1.93851e+04    1.30762e+04    1.14907e+03   -3.05626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69350e+03    9.31597e+04    4.02859e+05   -2.33966e+04   -2.97917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65759e+04   -2.44692e+06    4.79190e+05   -1.96773e+06    2.62444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.07470e+02    4.34170e+01    5.50840e-06


DD  step 245579999 load imb.: force 19.3%  pme mesh/force 0.752
           Step           Time
      245580000   491160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98807e+03    1.92942e+04    1.31710e+04    1.16778e+03   -3.05133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86522e+03    9.28605e+04    3.99449e+05   -2.33896e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64991e+04   -2.44684e+06    4.79512e+05   -1.96732e+06    2.62451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.07347e+02   -4.47270e+00    5.41729e-06


DD  step 245584999 load imb.: force 16.2%  pme mesh/force 0.720
           Step           Time
      245585000   491170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95426e+03    1.90000e+04    1.30355e+04    1.14406e+03   -3.00193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85832e+03    9.28592e+04    4.00047e+05   -2.33801e+04   -2.97429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63786e+04   -2.44539e+06    4.78397e+05   -1.96700e+06    2.62456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10154e+02   -2.07179e+02   -7.78473e+00    5.54320e-06


DD  step 245589999 load imb.: force 16.4%  pme mesh/force 0.730
           Step           Time
      245590000   491180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98317e+03    1.95761e+04    1.30838e+04    1.13126e+03   -3.21530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81241e+03    9.32036e+04    4.03922e+05   -2.33939e+04   -2.97967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63885e+04   -2.44618e+06    4.79103e+05   -1.96707e+06    2.62463e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10611e+02   -2.07423e+02    1.00369e+02    5.50991e-06


DD  step 245594999 load imb.: force 18.0%  pme mesh/force 0.741
           Step           Time
      245595000   491190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95096e+03    1.91455e+04    1.31428e+04    1.16689e+03   -3.11874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82518e+03    9.22908e+04    4.03406e+05   -2.33980e+04   -2.98279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63628e+04   -2.45101e+06    4.77853e+05   -1.97316e+06    2.62468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09801e+02   -2.07496e+02    7.68773e+01    5.34999e-06


DD  step 245599999 load imb.: force 16.5%  pme mesh/force 0.746
           Step           Time
      245600000   491200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87752e+03    1.94302e+04    1.31646e+04    1.27562e+03   -2.88430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93471e+03    9.30113e+04    3.99018e+05   -2.33780e+04   -2.97485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64297e+04   -2.44597e+06    4.80786e+05   -1.96518e+06    2.62474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11702e+02   -2.07142e+02   -5.25995e+00    5.42799e-06


DD  step 245604999 load imb.: force 14.5%  pme mesh/force 0.716
           Step           Time
      245605000   491210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16536e+03    1.92742e+04    1.30615e+04    1.16982e+03   -3.02373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90132e+03    9.22732e+04    3.97985e+05   -2.33698e+04   -2.97302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65868e+04   -2.44599e+06    4.79963e+05   -1.96603e+06    2.62479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11168e+02   -2.06996e+02   -1.14991e+02    5.48624e-06


DD  step 245609999 load imb.: force 15.6%  pme mesh/force 0.731
           Step           Time
      245610000   491220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14831e+03    1.93190e+04    1.30588e+04    1.23282e+03   -3.00706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82196e+03    9.31089e+04    4.00816e+05   -2.33760e+04   -2.97428e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64098e+04   -2.44375e+06    4.78818e+05   -1.96493e+06    2.62486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.07106e+02    7.24646e+00    5.34955e-06


DD  step 245614999 load imb.: force 16.6%  pme mesh/force 0.740
           Step           Time
      245615000   491230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01049e+03    1.93246e+04    1.32482e+04    1.18568e+03   -3.01007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00679e+03    9.28394e+04    4.02084e+05   -2.34020e+04   -2.97770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64274e+04   -2.44598e+06    4.79455e+05   -1.96653e+06    2.62491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.07566e+02    8.07762e+01    5.25675e-06


DD  step 245619999 load imb.: force 15.2%  pme mesh/force 0.703
           Step           Time
      245620000   491240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26531e+03    1.93594e+04    1.30424e+04    1.15196e+03   -3.09163e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78967e+03    9.25749e+04    4.03208e+05   -2.34242e+04   -2.98317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64276e+04   -2.45087e+06    4.80575e+05   -1.97029e+06    2.62497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11565e+02   -2.07960e+02    4.05541e+01    5.25922e-06


DD  step 245624999 load imb.: force 15.6%  pme mesh/force 0.737
           Step           Time
      245625000   491250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91139e+03    1.96951e+04    1.30745e+04    1.22441e+03   -3.09786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69993e+03    9.25782e+04    4.02037e+05   -2.34226e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64799e+04   -2.44858e+06    4.78936e+05   -1.96964e+06    2.62503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10503e+02   -2.07932e+02    3.91168e+01    5.32386e-06


DD  step 245629999 load imb.: force 14.4%  pme mesh/force 0.719
           Step           Time
      245630000   491260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83820e+03    1.95867e+04    1.30446e+04    1.19732e+03   -3.12026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87832e+03    9.28610e+04    3.99701e+05   -2.33681e+04   -2.97335e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66091e+04   -2.44412e+06    4.78765e+05   -1.96536e+06    2.62508e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.06966e+02    2.56167e+01    5.44031e-06


DD  step 245634999 load imb.: force 15.9%  pme mesh/force 0.750
           Step           Time
      245635000   491270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89112e+03    1.92343e+04    1.30922e+04    1.22383e+03   -3.00502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97581e+03    9.31120e+04    3.97883e+05   -2.33672e+04   -2.97239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64284e+04   -2.44492e+06    4.79635e+05   -1.96528e+06    2.62514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10956e+02   -2.06951e+02   -3.23933e+01    5.29974e-06


DD  step 245639999 load imb.: force 17.0%  pme mesh/force 0.698
           Step           Time
      245640000   491280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85483e+03    1.94354e+04    1.31704e+04    1.18955e+03   -3.12190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82071e+03    9.26116e+04    4.02672e+05   -2.34032e+04   -2.98042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65219e+04   -2.44867e+06    4.79693e+05   -1.96897e+06    2.62520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.07588e+02    5.73856e+01    5.29476e-06


DD  step 245644999 load imb.: force 16.3%  pme mesh/force 0.737
           Step           Time
      245645000   491290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80082e+03    1.96596e+04    1.32897e+04    1.19164e+03   -3.12352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80569e+03    9.28311e+04    3.98101e+05   -2.33812e+04   -2.97491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65997e+04   -2.44714e+06    4.79627e+05   -1.96751e+06    2.62525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.07198e+02   -7.22426e+01    5.30881e-06


DD  step 245649999 load imb.: force 15.7%  pme mesh/force 0.726
           Step           Time
      245650000   491300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97394e+03    1.93776e+04    1.34122e+04    1.14924e+03   -3.05850e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84243e+03    9.28499e+04    4.02477e+05   -2.34029e+04   -2.97930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65915e+04   -2.44709e+06    4.80558e+05   -1.96653e+06    2.62532e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11554e+02   -2.07583e+02    1.25751e+02    5.31134e-06


DD  step 245654999 load imb.: force 17.6%  pme mesh/force 0.730
           Step           Time
      245655000   491310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95653e+03    1.91649e+04    1.31479e+04    1.15370e+03   -3.07588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85055e+03    9.24937e+04    4.02113e+05   -2.33290e+04   -2.97898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65123e+04   -2.44799e+06    4.78716e+05   -1.96927e+06    2.62537e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10360e+02   -2.06276e+02    1.69017e+01    5.47887e-06


DD  step 245659999 load imb.: force 14.5%  pme mesh/force 0.718
           Step           Time
      245660000   491320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27322e+03    1.95232e+04    1.30926e+04    1.18043e+03   -3.04534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78098e+03    9.18693e+04    3.99404e+05   -2.33714e+04   -2.97419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66236e+04   -2.44586e+06    4.81570e+05   -1.96429e+06    2.62543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12210e+02   -2.07025e+02   -4.57827e+01    5.45549e-06


DD  step 245664999 load imb.: force 15.8%  pme mesh/force 0.664
           Step           Time
      245665000   491330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09483e+03    1.94216e+04    1.33892e+04    1.15718e+03   -3.15879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89321e+03    9.25427e+04    3.99328e+05   -2.33803e+04   -2.97456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62970e+04   -2.44597e+06    4.79437e+05   -1.96654e+06    2.62549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10827e+02   -2.07182e+02   -1.94040e+01    5.21278e-06


DD  step 245669999 load imb.: force 16.5%  pme mesh/force 0.710
           Step           Time
      245670000   491340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05633e+03    1.92751e+04    1.32395e+04    1.19727e+03   -3.07417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79750e+03    9.23193e+04    3.97734e+05   -2.34056e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65568e+04   -2.44794e+06    4.80713e+05   -1.96722e+06    2.62554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11655e+02   -2.07630e+02   -8.60822e+01    5.37148e-06


DD  step 245674999 load imb.: force 15.5%  pme mesh/force 0.744
           Step           Time
      245675000   491350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06753e+03    1.97899e+04    1.30833e+04    1.16950e+03   -3.06316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89755e+03    9.24140e+04    3.99648e+05   -2.33603e+04   -2.97354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65628e+04   -2.44433e+06    4.82262e+05   -1.96207e+06    2.62561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12659e+02   -2.06828e+02    3.30205e+01    5.23273e-06


DD  step 245679999 load imb.: force 15.2%  pme mesh/force 0.714
           Step           Time
      245680000   491360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98673e+03    1.96240e+04    1.31542e+04    1.15837e+03   -2.95111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78148e+03    9.27100e+04    3.99664e+05   -2.33570e+04   -2.97458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64541e+04   -2.44536e+06    4.81181e+05   -1.96418e+06    2.62566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11958e+02   -2.06770e+02   -4.51794e+01    5.22426e-06


DD  step 245684999 load imb.: force 15.6%  pme mesh/force 0.720
           Step           Time
      245685000   491370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07528e+03    1.94553e+04    1.31986e+04    1.22149e+03   -3.02319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76826e+03    9.20864e+04    4.00813e+05   -2.33491e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66290e+04   -2.44498e+06    4.78590e+05   -1.96640e+06    2.62573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10278e+02   -2.06630e+02    5.07976e+00    5.09130e-06


DD  step 245689999 load imb.: force 14.8%  pme mesh/force 0.699
           Step           Time
      245690000   491380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15262e+03    1.98427e+04    1.33632e+04    1.26687e+03   -2.95706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66818e+03    9.28161e+04    3.96535e+05   -2.33630e+04   -2.96915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65732e+04   -2.44225e+06    4.80543e+05   -1.96171e+06    2.62578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11545e+02   -2.06876e+02   -1.18809e+02    5.25276e-06


DD  step 245694999 load imb.: force 14.1%  pme mesh/force 0.709
           Step           Time
      245695000   491390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14935e+03    1.94724e+04    1.32071e+04    1.22154e+03   -3.09520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95141e+03    9.26811e+04    4.01951e+05   -2.33974e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65004e+04   -2.44470e+06    4.82175e+05   -1.96253e+06    2.62584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12603e+02   -2.07485e+02    9.18460e+01    5.36619e-06


DD  step 245699999 load imb.: force 15.8%  pme mesh/force 0.711
           Step           Time
      245700000   491400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94889e+03    1.92202e+04    1.30622e+04    1.20724e+03   -3.01879e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73985e+03    9.26748e+04    4.02577e+05   -2.33870e+04   -2.97917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65868e+04   -2.44756e+06    4.78171e+05   -1.96939e+06    2.62590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10007e+02   -2.07300e+02    4.30173e+00    5.26572e-06


DD  step 245704999 load imb.: force 18.2%  pme mesh/force 0.736
           Step           Time
      245705000   491410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28322e+03    1.93781e+04    1.32282e+04    1.18060e+03   -3.09887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84496e+03    9.24781e+04    4.01891e+05   -2.34470e+04   -2.97985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64896e+04   -2.44863e+06    4.81541e+05   -1.96708e+06    2.62596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12191e+02   -2.08364e+02    7.24026e+01    5.18536e-06


DD  step 245709999 load imb.: force 16.2%  pme mesh/force 0.721
           Step           Time
      245710000   491420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95581e+03    1.90426e+04    1.30809e+04    1.16371e+03   -3.04734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87115e+03    9.28851e+04    4.02478e+05   -2.33868e+04   -2.97906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65411e+04   -2.44747e+06    4.79119e+05   -1.96836e+06    2.62601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10621e+02   -2.07298e+02    3.32634e+01    5.38310e-06


DD  step 245714999 load imb.: force 17.6%  pme mesh/force 0.733
           Step           Time
      245715000   491430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88109e+03    1.95615e+04    1.33896e+04    1.19479e+03   -3.10692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85387e+03    9.22366e+04    3.99521e+05   -2.34175e+04   -2.97354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66986e+04   -2.44473e+06    4.79607e+05   -1.96512e+06    2.62607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10938e+02   -2.07842e+02    3.13862e+01    5.22782e-06


DD  step 245719999 load imb.: force 16.0%  pme mesh/force 0.725
           Step           Time
      245720000   491440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08841e+03    1.94884e+04    1.29815e+04    1.20736e+03   -3.09692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75034e+03    9.30592e+04    3.99927e+05   -2.34434e+04   -2.97842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64058e+04   -2.44906e+06    4.81631e+05   -1.96743e+06    2.62612e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12250e+02   -2.08301e+02    2.77309e+01    5.47951e-06


DD  step 245724999 load imb.: force 18.8%  pme mesh/force 0.747
           Step           Time
      245725000   491450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23705e+03    1.95913e+04    1.30953e+04    1.16962e+03   -2.96118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71945e+03    9.28331e+04    4.00687e+05   -2.33680e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64147e+04   -2.44540e+06    4.78692e+05   -1.96671e+06    2.62619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10345e+02   -2.06964e+02    1.18600e+01    5.35315e-06


DD  step 245729999 load imb.: force 16.4%  pme mesh/force 0.726
           Step           Time
      245730000   491460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71515e+03    1.95523e+04    1.28376e+04    1.18580e+03   -2.98015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85712e+03    9.27014e+04    4.03629e+05   -2.34147e+04   -2.98106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62662e+04   -2.44871e+06    4.80159e+05   -1.96855e+06    2.62624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.07791e+02    1.15233e+02    5.30234e-06


DD  step 245734999 load imb.: force 16.9%  pme mesh/force 0.743
           Step           Time
      245735000   491470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05779e+03    1.94861e+04    1.32459e+04    1.16868e+03   -2.99858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80203e+03    9.28039e+04    4.00756e+05   -2.33797e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66941e+04   -2.44751e+06    4.80161e+05   -1.96734e+06    2.62630e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11297e+02   -2.07172e+02   -1.13978e+01    5.44980e-06


DD  step 245739999 load imb.: force 14.9%  pme mesh/force 0.714
           Step           Time
      245740000   491480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99771e+03    1.97547e+04    1.30164e+04    1.10871e+03   -3.05067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86199e+03    9.30969e+04    4.05853e+05   -2.33884e+04   -2.98325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64678e+04   -2.44753e+06    4.78991e+05   -1.96854e+06    2.62636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10539e+02   -2.07325e+02    1.55619e+02    5.15451e-06


DD  step 245744999 load imb.: force 16.0%  pme mesh/force 0.742
           Step           Time
      245745000   491490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33292e+03    1.98611e+04    1.28762e+04    1.21995e+03   -3.03355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71139e+03    9.22728e+04    4.01637e+05   -2.33938e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65493e+04   -2.44668e+06    4.81362e+05   -1.96532e+06    2.62642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12076e+02   -2.07421e+02    6.03331e+00    5.28025e-06


DD  step 245749999 load imb.: force 16.7%  pme mesh/force 0.723
           Step           Time
      245750000   491500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75784e+03    1.96479e+04    1.30855e+04    1.17675e+03   -2.95450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85644e+03    9.26344e+04    4.00192e+05   -2.33864e+04   -2.97855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63698e+04   -2.44917e+06    4.80364e+05   -1.96881e+06    2.62647e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11429e+02   -2.07289e+02   -1.98685e-01    5.38822e-06


DD  step 245754999 load imb.: force 14.8%  pme mesh/force 0.707
           Step           Time
      245755000   491510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15954e+03    1.92073e+04    1.31185e+04    1.19414e+03   -3.07422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89549e+03    9.24918e+04    3.99434e+05   -2.33693e+04   -2.97609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63949e+04   -2.44764e+06    4.78947e+05   -1.96869e+06    2.62653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10510e+02   -2.06987e+02   -8.72067e+01    5.09213e-06


DD  step 245759999 load imb.: force 16.3%  pme mesh/force 0.727
           Step           Time
      245760000   491520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30167e+03    1.94715e+04    1.32844e+04    1.24779e+03   -3.13770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.61458e+03    9.28144e+04    3.98184e+05   -2.33824e+04   -2.97173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65809e+04   -2.44375e+06    4.78824e+05   -1.96493e+06    2.62659e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10430e+02   -2.07219e+02   -8.65821e+01    5.21047e-06

Writing checkpoint, step 245762800 at Wed Nov  8 14:46:28 2023



DD  step 245764999 load imb.: force 17.0%  pme mesh/force 0.704
           Step           Time
      245765000   491530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13279e+03    1.93449e+04    1.29655e+04    1.16405e+03   -3.06861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76028e+03    9.26828e+04    4.00275e+05   -2.33958e+04   -2.97465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63695e+04   -2.44542e+06    4.78679e+05   -1.96674e+06    2.62664e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10336e+02   -2.07457e+02    6.56272e+01    5.24020e-06


DD  step 245769999 load imb.: force 17.5%  pme mesh/force 0.732
           Step           Time
      245770000   491540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08845e+03    1.96606e+04    1.31033e+04    1.19116e+03   -2.94029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70800e+03    9.23247e+04    3.99486e+05   -2.33576e+04   -2.97269e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64769e+04   -2.44395e+06    4.80051e+05   -1.96390e+06    2.62670e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11226e+02   -2.06780e+02   -3.05848e+01    5.33377e-06


DD  step 245774999 load imb.: force 16.0%  pme mesh/force 0.713
           Step           Time
      245775000   491550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16634e+03    1.98020e+04    1.33441e+04    1.21267e+03   -3.08921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.57587e+03    9.25401e+04    4.02322e+05   -2.33938e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67199e+04   -2.44627e+06    4.80282e+05   -1.96599e+06    2.62676e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.07421e+02   -4.79200e+01    5.39235e-06


DD  step 245779999 load imb.: force 14.1%  pme mesh/force 0.696
           Step           Time
      245780000   491560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88123e+03    1.91548e+04    1.30117e+04    1.13586e+03   -3.01873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84112e+03    9.22742e+04    3.99137e+05   -2.34234e+04   -2.97485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64333e+04   -2.44742e+06    4.77774e+05   -1.96965e+06    2.62681e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09749e+02   -2.07946e+02   -3.43369e+01    5.35402e-06


DD  step 245784999 load imb.: force 16.9%  pme mesh/force 0.749
           Step           Time
      245785000   491570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14824e+03    1.93991e+04    1.32171e+04    1.20440e+03   -3.01959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87381e+03    9.27287e+04    3.98748e+05   -2.34129e+04   -2.97245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65953e+04   -2.44397e+06    4.79421e+05   -1.96454e+06    2.62687e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.07760e+02    1.37688e+01    5.14214e-06


DD  step 245789999 load imb.: force 16.2%  pme mesh/force 0.720
           Step           Time
      245790000   491580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04456e+03    1.90502e+04    1.32093e+04    1.18965e+03   -3.12978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71964e+03    9.28703e+04    3.98689e+05   -2.33592e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65124e+04   -2.44643e+06    4.80098e+05   -1.96633e+06    2.62692e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11256e+02   -2.06809e+02   -6.27508e+01    5.33147e-06


DD  step 245794999 load imb.: force 14.6%  pme mesh/force 0.714
           Step           Time
      245795000   491590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93282e+03    1.95386e+04    1.31190e+04    1.08829e+03   -3.03945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88102e+03    9.29132e+04    3.99585e+05   -2.33487e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66429e+04   -2.44500e+06    4.79818e+05   -1.96518e+06    2.62699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11074e+02   -2.06623e+02    2.83851e+01    5.40754e-06


DD  step 245799999 load imb.: force 15.6%  pme mesh/force 0.742
           Step           Time
      245800000   491600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09934e+03    1.94530e+04    1.33134e+04    1.23656e+03   -3.09254e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78264e+03    9.25925e+04    4.03150e+05   -2.33569e+04   -2.97797e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66291e+04   -2.44516e+06    4.81000e+05   -1.96416e+06    2.62704e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11841e+02   -2.06768e+02    6.88081e+01    5.36348e-06


DD  step 245804999 load imb.: force 15.0%  pme mesh/force 0.697
           Step           Time
      245805000   491610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92013e+03    1.91411e+04    1.32367e+04    1.23438e+03   -3.05981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83247e+03    9.23817e+04    4.01899e+05   -2.33593e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66428e+04   -2.44803e+06    4.80237e+05   -1.96780e+06    2.62710e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11346e+02   -2.06811e+02    3.58845e+01    5.31983e-06


DD  step 245809999 load imb.: force 14.6%  pme mesh/force 0.706
           Step           Time
      245810000   491620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03613e+03    1.95908e+04    1.31143e+04    1.15536e+03   -3.13204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82347e+03    9.22845e+04    4.00565e+05   -2.33803e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64025e+04   -2.44635e+06    4.77702e+05   -1.96864e+06    2.62717e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09703e+02   -2.07182e+02    5.26315e+01    5.34558e-06


DD  step 245814999 load imb.: force 15.3%  pme mesh/force 0.739
           Step           Time
      245815000   491630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99764e+03    1.96914e+04    1.31341e+04    1.14523e+03   -2.96434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72522e+03    9.25762e+04    3.99367e+05   -2.33609e+04   -2.97340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66582e+04   -2.44443e+06    4.80567e+05   -1.96387e+06    2.62722e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11560e+02   -2.06840e+02    2.05474e+01    5.34510e-06


DD  step 245819999 load imb.: force 14.8%  pme mesh/force 0.736
           Step           Time
      245820000   491640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84692e+03    1.97445e+04    1.32062e+04    1.25677e+03   -3.01620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86017e+03    9.25224e+04    3.98788e+05   -2.33412e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64902e+04   -2.44606e+06    4.80848e+05   -1.96521e+06    2.62727e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.06491e+02   -3.99664e+01    5.41747e-06


DD  step 245824999 load imb.: force 14.1%  pme mesh/force 0.719
           Step           Time
      245825000   491650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88494e+03    1.95730e+04    1.32408e+04    1.28460e+03   -3.05096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91257e+03    9.22863e+04    4.00320e+05   -2.33362e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64582e+04   -2.44686e+06    4.81378e+05   -1.96548e+06    2.62733e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12086e+02   -2.06403e+02   -2.06293e+01    5.35527e-06


DD  step 245829999 load imb.: force 16.8%  pme mesh/force 0.736
           Step           Time
      245830000   491660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20626e+03    1.93695e+04    1.31847e+04    1.11029e+03   -3.10876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79652e+03    9.20462e+04    4.00774e+05   -2.33869e+04   -2.97762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67643e+04   -2.44786e+06    4.78213e+05   -1.96965e+06    2.62740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10034e+02   -2.07299e+02   -3.22293e+01    5.42237e-06


DD  step 245834999 load imb.: force 16.1%  pme mesh/force 0.735
           Step           Time
      245835000   491670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02397e+03    1.93917e+04    1.32749e+04    1.19062e+03   -3.17285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87227e+03    9.24500e+04    4.00366e+05   -2.33542e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65261e+04   -2.44739e+06    4.79777e+05   -1.96762e+06    2.62745e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11048e+02   -2.06721e+02   -1.84454e+01    5.21045e-06


DD  step 245839999 load imb.: force 15.5%  pme mesh/force 0.735
           Step           Time
      245840000   491680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94167e+03    1.95126e+04    1.30633e+04    1.16143e+03   -3.05281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89748e+03    9.26894e+04    4.01474e+05   -2.33769e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66516e+04   -2.44706e+06    4.77730e+05   -1.96933e+06    2.62751e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09721e+02   -2.07121e+02    5.76143e+01    5.38750e-06


DD  step 245844999 load imb.: force 19.8%  pme mesh/force 0.804
           Step           Time
      245845000   491690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89773e+03    1.94421e+04    1.32614e+04    1.24168e+03   -3.06858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95387e+03    9.28853e+04    4.02752e+05   -2.34526e+04   -2.98173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65823e+04   -2.44923e+06    4.79617e+05   -1.96961e+06    2.62757e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10944e+02   -2.08464e+02    1.36459e+02    5.34973e-06


DD  step 245849999 load imb.: force 17.0%  pme mesh/force 0.743
           Step           Time
      245850000   491700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21598e+03    1.96258e+04    1.30060e+04    1.09787e+03   -3.03270e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83208e+03    9.23695e+04    3.99942e+05   -2.34223e+04   -2.97623e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63871e+04   -2.44721e+06    4.80101e+05   -1.96711e+06    2.62763e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11258e+02   -2.07926e+02   -5.26594e+01    5.33970e-06


DD  step 245854999 load imb.: force 14.9%  pme mesh/force 0.699
           Step           Time
      245855000   491710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98742e+03    1.95648e+04    1.32728e+04    1.22655e+03   -3.12567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74708e+03    9.27080e+04    3.98179e+05   -2.33829e+04   -2.97446e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66877e+04   -2.44659e+06    4.79966e+05   -1.96663e+06    2.62768e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.07228e+02   -1.01351e+02    5.45863e-06


DD  step 245859999 load imb.: force 15.8%  pme mesh/force 0.733
           Step           Time
      245860000   491720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85004e+03    1.98813e+04    1.30769e+04    1.20286e+03   -3.11655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78362e+03    9.21408e+04    3.98868e+05   -2.34120e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65768e+04   -2.44913e+06    4.80306e+05   -1.96883e+06    2.62774e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11391e+02   -2.07743e+02    3.25499e+00    5.31382e-06


DD  step 245864999 load imb.: force 17.4%  pme mesh/force 0.728
           Step           Time
      245865000   491730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94208e+03    1.91124e+04    1.31876e+04    1.20263e+03   -3.05982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93663e+03    9.28515e+04    4.04021e+05   -2.34564e+04   -2.98216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64085e+04   -2.44902e+06    4.79751e+05   -1.96927e+06    2.62780e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11031e+02   -2.08531e+02    1.05516e+02    5.32282e-06


DD  step 245869999 load imb.: force 17.0%  pme mesh/force 0.735
           Step           Time
      245870000   491740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28350e+03    1.94019e+04    1.30772e+04    1.22903e+03   -3.04474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85500e+03    9.25658e+04    3.99195e+05   -2.34036e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64774e+04   -2.44652e+06    4.81897e+05   -1.96463e+06    2.62786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12423e+02   -2.07594e+02   -1.51555e+01    5.18348e-06


DD  step 245874999 load imb.: force 15.4%  pme mesh/force 0.742
           Step           Time
      245875000   491750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06662e+03    1.91724e+04    1.31693e+04    1.22213e+03   -3.08438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76333e+03    9.23908e+04    4.00366e+05   -2.34079e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66101e+04   -2.44872e+06    4.79115e+05   -1.96960e+06    2.62792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10619e+02   -2.07671e+02   -4.50595e+01    5.37692e-06


DD  step 245879999 load imb.: force 14.4%  pme mesh/force 0.724
           Step           Time
      245880000   491760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08354e+03    1.90811e+04    1.32105e+04    1.13698e+03   -3.04866e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81721e+03    9.32118e+04    4.01735e+05   -2.34352e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63659e+04   -2.44894e+06    4.82100e+05   -1.96684e+06    2.62798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12554e+02   -2.08155e+02    4.92746e+01    5.48964e-06


DD  step 245884999 load imb.: force 15.8%  pme mesh/force 0.714
           Step           Time
      245885000   491770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06298e+03    1.96142e+04    1.31543e+04    1.26437e+03   -3.06920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77753e+03    9.25845e+04    3.99959e+05   -2.33140e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65071e+04   -2.44569e+06    4.80675e+05   -1.96501e+06    2.62804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11630e+02   -2.06010e+02   -8.16727e-01    5.25399e-06


DD  step 245889999 load imb.: force 15.7%  pme mesh/force 0.731
           Step           Time
      245890000   491780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09304e+03    1.95591e+04    1.31137e+04    1.10161e+03   -3.12747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.65357e+03    9.24434e+04    3.98150e+05   -2.33925e+04   -2.97745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64678e+04   -2.45039e+06    4.80633e+05   -1.96976e+06    2.62809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11603e+02   -2.07399e+02   -8.69203e+01    5.28627e-06


DD  step 245894999 load imb.: force 16.0%  pme mesh/force 0.732
           Step           Time
      245895000   491790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99540e+03    1.89962e+04    1.32919e+04    1.18226e+03   -3.08482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82527e+03    9.33276e+04    4.01543e+05   -2.33942e+04   -2.97835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63310e+04   -2.44734e+06    4.79012e+05   -1.96833e+06    2.62815e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10552e+02   -2.07429e+02    3.89907e+01    5.29634e-06


DD  step 245899999 load imb.: force 16.3%  pme mesh/force 0.740
           Step           Time
      245900000   491800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09490e+03    1.92038e+04    1.32447e+04    1.23201e+03   -3.11232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85261e+03    9.24954e+04    4.02649e+05   -2.34236e+04   -2.98001e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63942e+04   -2.44838e+06    4.80357e+05   -1.96803e+06    2.62821e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11424e+02   -2.07950e+02    8.44056e+01    5.36376e-06


DD  step 245904999 load imb.: force 15.2%  pme mesh/force 0.728
           Step           Time
      245905000   491810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92909e+03    1.96396e+04    1.29885e+04    1.11411e+03   -3.06678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80966e+03    9.26420e+04    3.99528e+05   -2.33387e+04   -2.97544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63477e+04   -2.44685e+06    4.80400e+05   -1.96645e+06    2.62827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11452e+02   -2.06447e+02   -5.54300e+00    5.31490e-06


DD  step 245909999 load imb.: force 15.8%  pme mesh/force 0.712
           Step           Time
      245910000   491820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03081e+03    1.94816e+04    1.31624e+04    1.25114e+03   -3.09151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88727e+03    9.33270e+04    4.00453e+05   -2.34478e+04   -2.98117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.45056e+06    4.79700e+05   -1.97086e+06    2.62833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10998e+02   -2.08380e+02   -1.37804e+01    5.19683e-06


DD  step 245914999 load imb.: force 15.6%  pme mesh/force 0.732
           Step           Time
      245915000   491830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94887e+03    1.94903e+04    1.31878e+04    1.19795e+03   -3.03980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80546e+03    9.28338e+04    4.02962e+05   -2.34137e+04   -2.98124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64246e+04   -2.44884e+06    4.81417e+05   -1.96742e+06    2.62839e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12111e+02   -2.07774e+02    5.54252e+01    5.27431e-06


DD  step 245919999 load imb.: force 16.0%  pme mesh/force 0.730
           Step           Time
      245920000   491840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16549e+03    1.94020e+04    1.31771e+04    1.26591e+03   -3.07569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77857e+03    9.28125e+04    4.00244e+05   -2.33995e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62999e+04   -2.44779e+06    4.80990e+05   -1.96680e+06    2.62844e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.07521e+02   -4.31671e+01    5.47556e-06


DD  step 245924999 load imb.: force 16.3%  pme mesh/force 0.718
           Step           Time
      245925000   491850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10337e+03    1.93119e+04    1.30724e+04    1.16418e+03   -3.07735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78196e+03    9.25928e+04    3.99839e+05   -2.33980e+04   -2.97869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63182e+04   -2.44998e+06    4.78297e+05   -1.97168e+06    2.62850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10089e+02   -2.07495e+02   -4.24772e+01    5.31838e-06


DD  step 245929999 load imb.: force 16.0%  pme mesh/force 0.746
           Step           Time
      245930000   491860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13161e+03    2.00808e+04    1.32386e+04    1.16459e+03   -3.09749e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81896e+03    9.25765e+04    4.00552e+05   -2.34345e+04   -2.97787e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63910e+04   -2.44745e+06    4.80229e+05   -1.96722e+06    2.62857e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11341e+02   -2.08144e+02   -7.15015e+00    5.19924e-06


DD  step 245934999 load imb.: force 16.5%  pme mesh/force 0.727
           Step           Time
      245935000   491870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01507e+03    1.94005e+04    1.30786e+04    1.15942e+03   -3.05287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82052e+03    9.31474e+04    4.03824e+05   -2.33966e+04   -2.98288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65403e+04   -2.44935e+06    4.78806e+05   -1.97054e+06    2.62862e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10418e+02   -2.07472e+02    6.53116e+01    5.28686e-06


DD  step 245939999 load imb.: force 16.2%  pme mesh/force 0.742
           Step           Time
      245940000   491880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93214e+03    1.92616e+04    1.30848e+04    1.16035e+03   -3.17607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81158e+03    9.31421e+04    4.00377e+05   -2.34007e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65837e+04   -2.44746e+06    4.78516e+05   -1.96894e+06    2.62868e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10230e+02   -2.07544e+02   -7.37413e+00    5.27654e-06


DD  step 245944999 load imb.: force 15.5%  pme mesh/force 0.719
           Step           Time
      245945000   491890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96066e+03    1.93026e+04    1.30511e+04    1.12775e+03   -3.09204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94579e+03    9.24001e+04    4.03168e+05   -2.33716e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66272e+04   -2.44671e+06    4.77802e+05   -1.96891e+06    2.62874e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09768e+02   -2.07029e+02    1.17388e+02    5.33928e-06


DD  step 245949999 load imb.: force 15.0%  pme mesh/force 0.727
           Step           Time
      245950000   491900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20478e+03    1.93635e+04    1.30903e+04    1.13975e+03   -3.18801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82778e+03    9.25788e+04    4.00561e+05   -2.33758e+04   -2.97894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64212e+04   -2.44931e+06    4.77550e+05   -1.97176e+06    2.62879e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09604e+02   -2.07103e+02   -1.51294e+01    5.11691e-06


DD  step 245954999 load imb.: force 14.7%  pme mesh/force 0.707
           Step           Time
      245955000   491910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94469e+03    1.95641e+04    1.31117e+04    1.15355e+03   -3.07743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72419e+03    9.30646e+04    3.97959e+05   -2.33948e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64560e+04   -2.44800e+06    4.79267e+05   -1.96873e+06    2.62886e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10718e+02   -2.07439e+02   -5.07231e+01    5.36115e-06


DD  step 245959999 load imb.: force 15.0%  pme mesh/force 0.724
           Step           Time
      245960000   491920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38666e+03    1.95213e+04    1.31659e+04    1.22995e+03   -3.13950e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71398e+03    9.26709e+04    4.00793e+05   -2.33853e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63707e+04   -2.44788e+06    4.81188e+05   -1.96669e+06    2.62891e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11963e+02   -2.07270e+02   -4.21942e+01    5.46520e-06


DD  step 245964999 load imb.: force 16.1%  pme mesh/force 0.732
           Step           Time
      245965000   491930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11078e+03    1.93636e+04    1.31333e+04    1.21592e+03   -3.08363e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83955e+03    9.29815e+04    4.00274e+05   -2.33666e+04   -2.97596e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64393e+04   -2.44606e+06    4.80380e+05   -1.96568e+06    2.62896e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11439e+02   -2.06939e+02    1.42962e+01    5.28952e-06


DD  step 245969999 load imb.: force 15.2%  pme mesh/force 0.736
           Step           Time
      245970000   491940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25291e+03    1.95044e+04    1.30019e+04    1.18047e+03   -3.13508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81706e+03    9.26819e+04    3.98353e+05   -2.33704e+04   -2.97720e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65693e+04   -2.44934e+06    4.80049e+05   -1.96929e+06    2.62903e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11224e+02   -2.07007e+02   -7.05408e+01    5.26659e-06


DD  step 245974999 load imb.: force 15.2%  pme mesh/force 0.729
           Step           Time
      245975000   491950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24771e+03    1.95140e+04    1.31770e+04    1.23356e+03   -3.11746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85197e+03    9.31400e+04    4.01968e+05   -2.33431e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66845e+04   -2.44427e+06    4.82952e+05   -1.96132e+06    2.62908e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13106e+02   -2.06524e+02    1.11249e+01    5.21559e-06


DD  step 245979999 load imb.: force 14.3%  pme mesh/force 0.761
           Step           Time
      245980000   491960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04012e+03    1.92003e+04    1.33738e+04    1.24352e+03   -3.20842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88822e+03    9.29792e+04    4.02956e+05   -2.33552e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65226e+04   -2.44372e+06    4.80054e+05   -1.96367e+06    2.62914e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11228e+02   -2.06737e+02    1.24186e+02    5.02258e-06


DD  step 245984999 load imb.: force 15.9%  pme mesh/force 0.723
           Step           Time
      245985000   491970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15856e+03    1.94249e+04    1.31912e+04    1.14738e+03   -3.16954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76974e+03    9.28184e+04    4.02095e+05   -2.33643e+04   -2.97995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65222e+04   -2.44836e+06    4.80537e+05   -1.96782e+06    2.62920e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.06899e+02    1.43610e+01    5.34825e-06


DD  step 245989999 load imb.: force 16.5%  pme mesh/force 0.731
           Step           Time
      245990000   491980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.43182e+03    1.94398e+04    1.29799e+04    1.16166e+03   -2.99110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89201e+03    9.27272e+04    3.99230e+05   -2.33449e+04   -2.97333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64431e+04   -2.44436e+06    4.79841e+05   -1.96452e+06    2.62926e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11090e+02   -2.06557e+02   -3.42298e+01    5.20617e-06


DD  step 245994999 load imb.: force 14.4%  pme mesh/force 0.693
           Step           Time
      245995000   491990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04221e+03    1.92550e+04    1.32286e+04    1.17525e+03   -3.17948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83574e+03    9.29184e+04    3.97432e+05   -2.33466e+04   -2.97186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64577e+04   -2.44504e+06    4.79704e+05   -1.96534e+06    2.62932e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11001e+02   -2.06586e+02   -8.43330e+01    5.28973e-06


DD  step 245999999 load imb.: force 16.2%  pme mesh/force 0.725
           Step           Time
      246000000   492000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03097e+03    1.92445e+04    1.29420e+04    1.18237e+03   -3.02097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87632e+03    9.30268e+04    3.98606e+05   -2.33866e+04   -2.97605e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63905e+04   -2.44815e+06    4.81320e+05   -1.96683e+06    2.62937e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12048e+02   -2.07293e+02   -5.66596e+01    5.38657e-06


DD  step 246004999 load imb.: force 16.5%  pme mesh/force 0.741
           Step           Time
      246005000   492010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92342e+03    1.95475e+04    1.32580e+04    1.23950e+03   -3.14552e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74847e+03    9.28261e+04    4.02115e+05   -2.34056e+04   -2.98057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61803e+04   -2.44928e+06    4.81804e+05   -1.96748e+06    2.62944e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12362e+02   -2.07630e+02    7.45420e+01    5.16774e-06


DD  step 246009999 load imb.: force 16.3%  pme mesh/force 0.749
           Step           Time
      246010000   492020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89394e+03    1.90959e+04    1.33480e+04    1.14348e+03   -3.14051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79678e+03    9.30112e+04    4.01879e+05   -2.34182e+04   -2.98184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65390e+04   -2.45069e+06    4.79246e+05   -1.97144e+06    2.62950e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.07853e+02    2.31870e+01    5.19561e-06


DD  step 246014999 load imb.: force 14.8%  pme mesh/force 0.703
           Step           Time
      246015000   492030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98120e+03    1.98220e+04    1.29789e+04    1.22370e+03   -3.10966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67441e+03    9.23814e+04    3.99192e+05   -2.33755e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62667e+04   -2.44778e+06    4.79227e+05   -1.96855e+06    2.62955e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10692e+02   -2.07097e+02   -6.19494e+01    5.27598e-06


DD  step 246019999 load imb.: force 15.7%  pme mesh/force 0.732
           Step           Time
      246020000   492040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11653e+03    1.91752e+04    1.32570e+04    1.19569e+03   -3.05587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01219e+03    9.33449e+04    4.00810e+05   -2.33967e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65353e+04   -2.44686e+06    4.80991e+05   -1.96587e+06    2.62961e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.07473e+02    8.42996e+01    5.20308e-06


DD  step 246024999 load imb.: force 14.3%  pme mesh/force 0.713
           Step           Time
      246025000   492050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02132e+03    1.96381e+04    1.31279e+04    1.16209e+03   -3.18356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79690e+03    9.32865e+04    4.00374e+05   -2.34375e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65532e+04   -2.44638e+06    4.77898e+05   -1.96848e+06    2.62967e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09830e+02   -2.08196e+02    8.16176e+01    5.18331e-06


DD  step 246029999 load imb.: force 15.5%  pme mesh/force 0.737
           Step           Time
      246030000   492060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27505e+03    1.98854e+04    1.32150e+04    1.14544e+03   -3.22215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80314e+03    9.27959e+04    4.00516e+05   -2.34021e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64875e+04   -2.44606e+06    4.80254e+05   -1.96580e+06    2.62973e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11357e+02   -2.07568e+02    4.68161e+01    5.13711e-06


DD  step 246034999 load imb.: force 15.3%  pme mesh/force 0.709
           Step           Time
      246035000   492070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79774e+03    1.95634e+04    1.32320e+04    1.14556e+03   -3.07726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84723e+03    9.31121e+04    4.01112e+05   -2.33620e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63887e+04   -2.44503e+06    4.79093e+05   -1.96594e+06    2.62978e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10605e+02   -2.06859e+02    5.12987e+01    5.35285e-06


DD  step 246039999 load imb.: force 14.2%  pme mesh/force 0.704
           Step           Time
      246040000   492080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82085e+03    1.92991e+04    1.32451e+04    1.11474e+03   -3.13274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85846e+03    9.30833e+04    4.02759e+05   -2.33648e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.44774e+06    4.79519e+05   -1.96822e+06    2.62984e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10881e+02   -2.06907e+02    1.14951e+02    5.20060e-06


DD  step 246044999 load imb.: force 18.9%  pme mesh/force 0.693
           Step           Time
      246045000   492090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05468e+03    1.92618e+04    1.32313e+04    1.30528e+03   -3.14262e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94414e+03    9.28624e+04    4.00673e+05   -2.33279e+04   -2.97831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67160e+04   -2.44773e+06    4.77569e+05   -1.97016e+06    2.62990e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09616e+02   -2.06256e+02   -5.13359e+01    5.22018e-06


DD  step 246049999 load imb.: force 16.5%  pme mesh/force 0.717
           Step           Time
      246050000   492100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97429e+03    1.92230e+04    1.30068e+04    1.23569e+03   -3.12497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86531e+03    9.31281e+04    3.98710e+05   -2.33546e+04   -2.97611e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64956e+04   -2.44795e+06    4.79097e+05   -1.96885e+06    2.62996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10607e+02   -2.06727e+02   -8.71066e+01    5.15087e-06


DD  step 246054999 load imb.: force 15.3%  pme mesh/force 0.711
           Step           Time
      246055000   492110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94835e+03    1.97178e+04    1.31907e+04    1.22098e+03   -3.08735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79819e+03    9.30447e+04    3.98687e+05   -2.33422e+04   -2.97320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66051e+04   -2.44442e+06    4.79836e+05   -1.96458e+06    2.63001e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11086e+02   -2.06508e+02   -5.70637e+01    5.14404e-06


DD  step 246059999 load imb.: force 16.7%  pme mesh/force 0.705
           Step           Time
      246060000   492120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85029e+03    1.92237e+04    1.30152e+04    1.07956e+03   -3.11231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78077e+03    9.29651e+04    4.02071e+05   -2.33226e+04   -2.97994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65869e+04   -2.44881e+06    4.79849e+05   -1.96896e+06    2.63007e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11094e+02   -2.06162e+02   -4.41418e+01    5.23416e-06


DD  step 246064999 load imb.: force 14.2%  pme mesh/force 0.724
           Step           Time
      246065000   492130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24722e+03    1.94074e+04    1.30915e+04    1.13919e+03   -3.07426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90928e+03    9.24097e+04    4.00802e+05   -2.33735e+04   -2.97641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63834e+04   -2.44646e+06    4.80808e+05   -1.96566e+06    2.63013e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11716e+02   -2.07061e+02    1.62756e+01    5.16909e-06


DD  step 246069999 load imb.: force 14.8%  pme mesh/force 0.728
           Step           Time
      246070000   492140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95495e+03    1.97333e+04    1.31717e+04    1.21990e+03   -3.06257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83095e+03    9.28507e+04    3.97228e+05   -2.33885e+04   -2.97408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64991e+04   -2.44704e+06    4.81235e+05   -1.96581e+06    2.63018e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11993e+02   -2.07327e+02   -9.28432e+01    5.25415e-06


DD  step 246074999 load imb.: force 16.6%  pme mesh/force 0.758
           Step           Time
      246075000   492150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01834e+03    1.92605e+04    1.31734e+04    1.18817e+03   -3.10141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94753e+03    9.27207e+04    4.02647e+05   -2.33948e+04   -2.98326e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65675e+04   -2.45124e+06    4.78208e+05   -1.97303e+06    2.63025e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10031e+02   -2.07440e+02    1.72134e+01    5.20060e-06


DD  step 246079999 load imb.: force 14.0%  pme mesh/force 0.717
           Step           Time
      246080000   492160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91500e+03    1.97280e+04    1.30324e+04    1.19822e+03   -3.05452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92702e+03    9.29749e+04    3.99628e+05   -2.33378e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67100e+04   -2.44687e+06    4.79910e+05   -1.96696e+06    2.63030e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11134e+02   -2.06431e+02   -3.01928e+01    5.29772e-06


DD  step 246084999 load imb.: force 15.1%  pme mesh/force 0.727
           Step           Time
      246085000   492170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24869e+03    1.97346e+04    1.32589e+04    1.28283e+03   -3.09949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84824e+03    9.23203e+04    4.01164e+05   -2.33734e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65892e+04   -2.44616e+06    4.81072e+05   -1.96509e+06    2.63036e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11888e+02   -2.07061e+02   -1.95251e-01    5.40476e-06


DD  step 246089999 load imb.: force 17.1%  pme mesh/force 0.723
           Step           Time
      246090000   492180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84431e+03    1.94722e+04    1.32219e+04    1.17802e+03   -3.23502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78655e+03    9.30627e+04    3.97943e+05   -2.33192e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66913e+04   -2.44837e+06    4.80515e+05   -1.96785e+06    2.63041e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11527e+02   -2.06102e+02   -1.47334e+02    5.27025e-06


DD  step 246094999 load imb.: force 15.5%  pme mesh/force 0.720
           Step           Time
      246095000   492190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96139e+03    1.95186e+04    1.32108e+04    1.17664e+03   -3.14242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86457e+03    9.32847e+04    4.02798e+05   -2.33960e+04   -2.98227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65303e+04   -2.44946e+06    4.79021e+05   -1.97044e+06    2.63048e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.07460e+02    1.04325e+02    5.05755e-06


DD  step 246099999 load imb.: force 15.4%  pme mesh/force 0.709
           Step           Time
      246100000   492200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10364e+03    1.99296e+04    1.31281e+04    1.23367e+03   -3.06368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82142e+03    9.28217e+04    3.98506e+05   -2.33927e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66092e+04   -2.44617e+06    4.79535e+05   -1.96663e+06    2.63053e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10891e+02   -2.07402e+02   -2.64772e+01    5.44226e-06

Writing checkpoint, step 246101200 at Wed Nov  8 15:01:28 2023



DD  step 246104999 load imb.: force 16.2%  pme mesh/force 0.708
           Step           Time
      246105000   492210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04439e+03    1.96395e+04    1.31865e+04    1.20072e+03   -3.17712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91067e+03    9.27481e+04    3.98623e+05   -2.33856e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67306e+04   -2.44586e+06    4.80536e+05   -1.96532e+06    2.63059e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11540e+02   -2.07276e+02   -1.06098e+01    5.24846e-06


DD  step 246109999 load imb.: force 18.8%  pme mesh/force 0.727
           Step           Time
      246110000   492220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02763e+03    1.95370e+04    1.28463e+04    1.04136e+03   -3.04577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82169e+03    9.31788e+04    3.99103e+05   -2.33744e+04   -2.97367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65483e+04   -2.44499e+06    4.79213e+05   -1.96577e+06    2.63065e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.07078e+02   -2.47542e+01    5.15988e-06


DD  step 246114999 load imb.: force 15.3%  pme mesh/force 0.721
           Step           Time
      246115000   492230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93545e+03    1.94907e+04    1.30778e+04    1.16938e+03   -3.05907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83876e+03    9.28280e+04    3.99471e+05   -2.34024e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65147e+04   -2.44805e+06    4.79513e+05   -1.96854e+06    2.63070e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.07574e+02   -6.65635e+01    5.30378e-06


DD  step 246119999 load imb.: force 16.9%  pme mesh/force 0.735
           Step           Time
      246120000   492240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06400e+03    1.90949e+04    1.31807e+04    1.08340e+03   -3.02890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81594e+03    9.24127e+04    3.99916e+05   -2.33709e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64244e+04   -2.44923e+06    4.80183e+05   -1.96905e+06    2.63076e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11311e+02   -2.07016e+02   -6.56297e+01    5.23394e-06


DD  step 246124999 load imb.: force 14.3%  pme mesh/force 0.725
           Step           Time
      246125000   492250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09947e+03    1.95448e+04    1.31440e+04    1.16786e+03   -3.09778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78464e+03    9.20215e+04    3.99678e+05   -2.34176e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64075e+04   -2.44754e+06    4.79815e+05   -1.96773e+06    2.63082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11073e+02   -2.07842e+02   -5.10131e+01    5.12184e-06


DD  step 246129999 load imb.: force 14.9%  pme mesh/force 0.731
           Step           Time
      246130000   492260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00157e+03    1.93461e+04    1.31948e+04    1.27162e+03   -3.12919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.03427e+03    9.29758e+04    3.98036e+05   -2.34096e+04   -2.97523e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65825e+04   -2.44733e+06    4.81359e+05   -1.96597e+06    2.63088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12074e+02   -2.07702e+02   -6.70799e+01    4.84092e-06


DD  step 246134999 load imb.: force 15.9%  pme mesh/force 0.731
           Step           Time
      246135000   492270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08893e+03    1.96252e+04    1.30726e+04    1.19290e+03   -3.07226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85296e+03    9.23607e+04    3.96368e+05   -2.33858e+04   -2.96978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65742e+04   -2.44410e+06    4.79748e+05   -1.96435e+06    2.63094e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.07279e+02   -1.18468e+02    5.07197e-06


DD  step 246139999 load imb.: force 16.4%  pme mesh/force 0.723
           Step           Time
      246140000   492280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01078e+03    1.95552e+04    1.31489e+04    1.16299e+03   -3.03710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88878e+03    9.28984e+04    4.02673e+05   -2.33503e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64712e+04   -2.44565e+06    4.81143e+05   -1.96451e+06    2.63100e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11934e+02   -2.06652e+02    8.53274e+01    4.98951e-06


DD  step 246144999 load imb.: force 15.5%  pme mesh/force 0.714
           Step           Time
      246145000   492290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19266e+03    1.96806e+04    1.31419e+04    1.09746e+03   -3.10263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81545e+03    9.22006e+04    3.99027e+05   -2.33878e+04   -2.97355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64746e+04   -2.44541e+06    4.78470e+05   -1.96694e+06    2.63106e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10201e+02   -2.07315e+02   -1.47036e+01    4.97509e-06


DD  step 246149999 load imb.: force 16.6%  pme mesh/force 0.731
           Step           Time
      246150000   492300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11063e+03    1.98045e+04    1.30358e+04    1.22347e+03   -3.09619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87134e+03    9.25157e+04    4.01183e+05   -2.34239e+04   -2.97570e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63729e+04   -2.44510e+06    4.82388e+05   -1.96272e+06    2.63111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12741e+02   -2.07955e+02    9.30000e+01    4.97555e-06


DD  step 246154999 load imb.: force 14.1%  pme mesh/force 0.693
           Step           Time
      246155000   492310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09517e+03    1.96449e+04    1.30787e+04    1.18388e+03   -3.11657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80007e+03    9.19747e+04    3.97685e+05   -2.33647e+04   -2.97101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66713e+04   -2.44435e+06    4.76690e+05   -1.96766e+06    2.63117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09046e+02   -2.06906e+02   -9.75979e+01    5.04840e-06


DD  step 246159999 load imb.: force 16.5%  pme mesh/force 0.701
           Step           Time
      246160000   492320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91069e+03    1.94425e+04    1.33159e+04    1.22629e+03   -3.08886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87929e+03    9.26624e+04    3.98673e+05   -2.33362e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66239e+04   -2.44683e+06    4.80074e+05   -1.96676e+06    2.63123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11241e+02   -2.06403e+02   -6.68710e+01    5.01375e-06


DD  step 246164999 load imb.: force 16.2%  pme mesh/force 0.709
           Step           Time
      246165000   492330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97183e+03    1.92748e+04    1.30501e+04    1.15109e+03   -3.11952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85502e+03    9.29747e+04    4.04381e+05   -2.34322e+04   -2.98276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67728e+04   -2.44888e+06    4.78968e+05   -1.96991e+06    2.63129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10524e+02   -2.08103e+02    1.36614e+02    5.05844e-06


DD  step 246169999 load imb.: force 16.4%  pme mesh/force 0.705
           Step           Time
      246170000   492340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10326e+03    1.93727e+04    1.31483e+04    1.21595e+03   -3.19938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70606e+03    9.22570e+04    4.02386e+05   -2.33824e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65251e+04   -2.44848e+06    4.79025e+05   -1.96946e+06    2.63134e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10560e+02   -2.07220e+02   -1.80771e+01    5.10541e-06


DD  step 246174999 load imb.: force 17.3%  pme mesh/force 0.754
           Step           Time
      246175000   492350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93835e+03    1.95743e+04    1.31580e+04    1.20573e+03   -3.03587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74102e+03    9.29903e+04    3.99201e+05   -2.34116e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66725e+04   -2.44597e+06    4.80446e+05   -1.96552e+06    2.63140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11482e+02   -2.07737e+02   -1.37731e+01    4.94580e-06


DD  step 246179999 load imb.: force 16.0%  pme mesh/force 0.701
           Step           Time
      246180000   492360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01425e+03    1.93950e+04    1.28774e+04    1.18940e+03   -3.04204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95303e+03    9.25088e+04    3.99333e+05   -2.34120e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65038e+04   -2.44682e+06    4.76122e+05   -1.97070e+06    2.63146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08679e+02   -2.07743e+02   -1.42261e+00    4.97860e-06


DD  step 246184999 load imb.: force 15.1%  pme mesh/force 0.693
           Step           Time
      246185000   492370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17248e+03    1.95192e+04    1.30866e+04    1.20839e+03   -3.03778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82072e+03    9.21872e+04    4.00784e+05   -2.33699e+04   -2.97583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65207e+04   -2.44594e+06    4.79186e+05   -1.96675e+06    2.63152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10665e+02   -2.06998e+02    1.18522e+01    5.12287e-06


DD  step 246189999 load imb.: force 17.6%  pme mesh/force 0.712
           Step           Time
      246190000   492380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20180e+03    1.94270e+04    1.32344e+04    1.19891e+03   -3.07315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83574e+03    9.27348e+04    4.00032e+05   -2.34361e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64846e+04   -2.44775e+06    4.82015e+05   -1.96573e+06    2.63157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12499e+02   -2.08170e+02    3.60748e+00    5.14332e-06


DD  step 246194999 load imb.: force 14.7%  pme mesh/force 0.718
           Step           Time
      246195000   492390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90584e+03    1.91843e+04    1.31164e+04    1.10578e+03   -3.02564e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00265e+03    9.24299e+04    3.98699e+05   -2.33947e+04   -2.97471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66070e+04   -2.44708e+06    4.78620e+05   -1.96846e+06    2.63163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.07437e+02    2.11790e+00    5.17003e-06


DD  step 246199999 load imb.: force 17.5%  pme mesh/force 0.731
           Step           Time
      246200000   492400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94732e+03    1.92827e+04    1.30355e+04    1.20085e+03   -2.99458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94510e+03    9.29827e+04    4.02391e+05   -2.33176e+04   -2.97982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64602e+04   -2.44789e+06    4.80367e+05   -1.96752e+06    2.63169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11430e+02   -2.06074e+02    2.33970e+01    4.93331e-06


DD  step 246204999 load imb.: force 16.7%  pme mesh/force 0.716
           Step           Time
      246205000   492410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04095e+03    1.95949e+04    1.30058e+04    1.16836e+03   -3.13728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74599e+03    9.28456e+04    4.00122e+05   -2.33655e+04   -2.97334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64526e+04   -2.44387e+06    4.81160e+05   -1.96271e+06    2.63175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.06921e+02   -5.65303e+00    5.11784e-06


DD  step 246209999 load imb.: force 15.5%  pme mesh/force 0.707
           Step           Time
      246210000   492420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37819e+03    1.90878e+04    1.31585e+04    1.22759e+03   -3.13118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74541e+03    9.24789e+04    4.01164e+05   -2.34047e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64231e+04   -2.44772e+06    4.77706e+05   -1.97001e+06    2.63180e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09705e+02   -2.07615e+02   -2.55859e-01    5.10552e-06


DD  step 246214999 load imb.: force 15.7%  pme mesh/force 0.730
           Step           Time
      246215000   492430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92040e+03    1.96991e+04    1.31247e+04    1.21213e+03   -3.10507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87893e+03    9.27688e+04    4.03130e+05   -2.33998e+04   -2.97979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65863e+04   -2.44698e+06    4.81025e+05   -1.96595e+06    2.63187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11857e+02   -2.07528e+02    1.06284e+02    5.00277e-06


DD  step 246219999 load imb.: force 17.3%  pme mesh/force 0.745
           Step           Time
      246220000   492440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98700e+03    1.99231e+04    1.31575e+04    1.10565e+03   -3.12539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79748e+03    9.25086e+04    4.04083e+05   -2.33541e+04   -2.98093e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63100e+04   -2.44754e+06    4.81381e+05   -1.96616e+06    2.63192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12088e+02   -2.06719e+02    8.75520e+01    5.20560e-06


DD  step 246224999 load imb.: force 15.6%  pme mesh/force 0.709
           Step           Time
      246225000   492450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96684e+03    1.94589e+04    1.30821e+04    1.13582e+03   -3.02250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88051e+03    9.30210e+04    4.00120e+05   -2.33900e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65062e+04   -2.44669e+06    4.78943e+05   -1.96775e+06    2.63198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10507e+02   -2.07353e+02   -1.53383e+00    5.11841e-06


DD  step 246229999 load imb.: force 17.2%  pme mesh/force 0.752
           Step           Time
      246230000   492460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89382e+03    1.89904e+04    1.32515e+04    1.16289e+03   -3.05268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87533e+03    9.31974e+04    4.04185e+05   -2.34215e+04   -2.98298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65149e+04   -2.44938e+06    4.79674e+05   -1.96971e+06    2.63204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10981e+02   -2.07912e+02    1.61523e+02    5.08762e-06


DD  step 246234999 load imb.: force 16.3%  pme mesh/force 0.716
           Step           Time
      246235000   492470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88208e+03    1.91390e+04    1.33557e+04    1.23453e+03   -3.03520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93275e+03    9.27080e+04    3.98056e+05   -2.33924e+04   -2.97426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66159e+04   -2.44676e+06    4.77688e+05   -1.96907e+06    2.63209e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.07396e+02   -6.46738e+01    5.15860e-06


DD  step 246239999 load imb.: force 16.2%  pme mesh/force 0.742
           Step           Time
      246240000   492480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03007e+03    1.96799e+04    1.30017e+04    1.17732e+03   -2.98224e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85498e+03    9.27389e+04    4.03743e+05   -2.33979e+04   -2.98054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64683e+04   -2.44722e+06    4.80302e+05   -1.96692e+06    2.63215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.07493e+02    1.05848e+02    5.06634e-06


DD  step 246244999 load imb.: force 15.2%  pme mesh/force 0.703
           Step           Time
      246245000   492490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89624e+03    1.93552e+04    1.30592e+04    1.19539e+03   -3.13384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.07311e+03    9.27410e+04    3.97879e+05   -2.33747e+04   -2.97454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63693e+04   -2.44749e+06    4.75888e+05   -1.97160e+06    2.63221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08527e+02   -2.07083e+02   -8.11796e+01    5.12849e-06


DD  step 246249999 load imb.: force 16.7%  pme mesh/force 0.730
           Step           Time
      246250000   492500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.35013e+03    1.93680e+04    1.32094e+04    1.20557e+03   -3.20164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79852e+03    9.25256e+04    3.99682e+05   -2.33595e+04   -2.97589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65091e+04   -2.44680e+06    4.78617e+05   -1.96818e+06    2.63226e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10296e+02   -2.06813e+02   -6.51471e+01    5.12767e-06


DD  step 246254999 load imb.: force 16.5%  pme mesh/force 0.739
           Step           Time
      246255000   492510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79614e+03    1.96485e+04    1.30875e+04    1.23584e+03   -2.97036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92407e+03    9.21799e+04    4.00667e+05   -2.33433e+04   -2.97265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64964e+04   -2.44293e+06    4.79305e+05   -1.96363e+06    2.63232e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10742e+02   -2.06528e+02    1.27554e+01    5.04977e-06


DD  step 246259999 load imb.: force 16.3%  pme mesh/force 0.736
           Step           Time
      246260000   492520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99237e+03    1.93274e+04    1.33004e+04    1.27708e+03   -3.12750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84221e+03    9.26645e+04    3.98200e+05   -2.33417e+04   -2.97237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64028e+04   -2.44483e+06    4.80037e+05   -1.96479e+06    2.63238e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11216e+02   -2.06499e+02   -5.21293e+01    5.25653e-06


DD  step 246264999 load imb.: force 16.2%  pme mesh/force 0.686
           Step           Time
      246265000   492530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15832e+03    1.97401e+04    1.31777e+04    1.16351e+03   -3.02999e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87925e+03    9.28338e+04    4.01852e+05   -2.33840e+04   -2.97802e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66229e+04   -2.44601e+06    4.80353e+05   -1.96566e+06    2.63244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11422e+02   -2.07248e+02    4.71833e+01    5.01073e-06


DD  step 246269999 load imb.: force 17.0%  pme mesh/force 0.697
           Step           Time
      246270000   492540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17363e+03    1.90613e+04    1.32050e+04    1.23292e+03   -3.08450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82853e+03    9.29085e+04    4.02013e+05   -2.34128e+04   -2.98047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62888e+04   -2.44926e+06    4.82022e+05   -1.96724e+06    2.63249e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12504e+02   -2.07757e+02    2.20383e+01    5.23963e-06


DD  step 246274999 load imb.: force 16.2%  pme mesh/force 0.724
           Step           Time
      246275000   492550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16407e+03    1.95302e+04    1.32005e+04    1.19982e+03   -3.04240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85351e+03    9.25134e+04    4.01702e+05   -2.34226e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66485e+04   -2.44691e+06    4.81537e+05   -1.96538e+06    2.63255e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12189e+02   -2.07932e+02    5.44862e+01    5.30156e-06


DD  step 246279999 load imb.: force 16.0%  pme mesh/force 0.706
           Step           Time
      246280000   492560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14704e+03    1.92952e+04    1.29923e+04    1.15922e+03   -2.99469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73509e+03    9.25018e+04    3.97974e+05   -2.33359e+04   -2.97209e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66143e+04   -2.44500e+06    4.80262e+05   -1.96474e+06    2.63261e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11362e+02   -2.06397e+02   -1.30719e+02    5.16613e-06


DD  step 246284999 load imb.: force 14.9%  pme mesh/force 0.727
           Step           Time
      246285000   492570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16600e+03    1.95910e+04    1.29975e+04    1.17923e+03   -2.97774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85694e+03    9.23633e+04    4.00974e+05   -2.33743e+04   -2.97792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65195e+04   -2.44763e+06    4.77712e+05   -1.96991e+06    2.63267e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09709e+02   -2.07076e+02    4.18436e+00    5.22620e-06


DD  step 246289999 load imb.: force 15.3%  pme mesh/force 0.702
           Step           Time
      246290000   492580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07942e+03    1.95054e+04    1.32505e+04    1.17163e+03   -3.13901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88724e+03    9.21621e+04    4.01478e+05   -2.34205e+04   -2.97544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63968e+04   -2.44506e+06    4.79790e+05   -1.96527e+06    2.63273e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11056e+02   -2.07894e+02    9.84677e+01    5.18094e-06


DD  step 246294999 load imb.: force 15.7%  pme mesh/force 0.705
           Step           Time
      246295000   492590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98471e+03    1.92055e+04    1.31735e+04    1.14937e+03   -2.99565e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79440e+03    9.23899e+04    4.01902e+05   -2.33733e+04   -2.98104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64728e+04   -2.45034e+06    4.79731e+05   -1.97061e+06    2.63278e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.07059e+02    2.21868e+01    5.22081e-06


DD  step 246299999 load imb.: force 16.0%  pme mesh/force 0.725
           Step           Time
      246300000   492600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14775e+03    1.95311e+04    1.30757e+04    1.23125e+03   -3.04966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74975e+03    9.24580e+04    3.99055e+05   -2.33776e+04   -2.97230e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63599e+04   -2.44412e+06    4.80467e+05   -1.96365e+06    2.63284e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11495e+02   -2.07134e+02   -1.95039e+01    5.20298e-06


DD  step 246304999 load imb.: force 15.6%  pme mesh/force 0.691
           Step           Time
      246305000   492610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15077e+03    1.92735e+04    1.31716e+04    1.11808e+03   -3.08853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74919e+03    9.21753e+04    4.00849e+05   -2.34475e+04   -2.97981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64177e+04   -2.45044e+06    4.78747e+05   -1.97170e+06    2.63290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10380e+02   -2.08374e+02    1.89970e+00    5.33525e-06


DD  step 246309999 load imb.: force 16.4%  pme mesh/force 0.726
           Step           Time
      246310000   492620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09766e+03    1.95430e+04    1.32848e+04    1.11450e+03   -3.02344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84149e+03    9.21574e+04    4.03354e+05   -2.34141e+04   -2.98130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64412e+04   -2.44890e+06    4.79774e+05   -1.96913e+06    2.63295e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11046e+02   -2.07782e+02    1.18546e+02    4.98838e-06


DD  step 246314999 load imb.: force 15.6%  pme mesh/force 0.736
           Step           Time
      246315000   492630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89581e+03    1.93459e+04    1.32205e+04    1.17634e+03   -3.15432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90571e+03    9.30249e+04    4.02577e+05   -2.33277e+04   -2.97852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62315e+04   -2.44663e+06    4.81075e+05   -1.96555e+06    2.63301e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.06252e+02    6.79499e+01    5.29908e-06


DD  step 246319999 load imb.: force 16.0%  pme mesh/force 0.705
           Step           Time
      246320000   492640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10409e+03    1.94084e+04    1.31731e+04    1.18247e+03   -3.05190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81784e+03    9.28856e+04    3.98983e+05   -2.33577e+04   -2.97459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65393e+04   -2.44591e+06    4.81603e+05   -1.96431e+06    2.63307e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12232e+02   -2.06783e+02   -6.11060e+01    5.17730e-06


DD  step 246324999 load imb.: force 16.3%  pme mesh/force 0.700
           Step           Time
      246325000   492650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12386e+03    1.93831e+04    1.31752e+04    1.14360e+03   -3.15397e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79563e+03    9.26004e+04    4.01958e+05   -2.33682e+04   -2.97749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64506e+04   -2.44638e+06    4.79502e+05   -1.96688e+06    2.63313e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10870e+02   -2.06967e+02    1.30464e+01    5.15849e-06


DD  step 246329999 load imb.: force 16.5%  pme mesh/force 0.705
           Step           Time
      246330000   492660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08004e+03    1.95413e+04    1.30827e+04    1.11285e+03   -3.07848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80304e+03    9.26517e+04    4.01831e+05   -2.34113e+04   -2.97842e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65270e+04   -2.44728e+06    4.82240e+05   -1.96504e+06    2.63319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12645e+02   -2.07730e+02    5.98444e+01    5.12658e-06


DD  step 246334999 load imb.: force 15.7%  pme mesh/force 0.723
           Step           Time
      246335000   492670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12025e+03    1.96767e+04    1.33144e+04    1.21677e+03   -3.16939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81769e+03    9.29236e+04    4.01334e+05   -2.33641e+04   -2.97601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63039e+04   -2.44484e+06    4.82154e+05   -1.96268e+06    2.63325e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12589e+02   -2.06896e+02    9.14040e+00    4.98799e-06


DD  step 246339999 load imb.: force 14.1%  pme mesh/force 0.691
           Step           Time
      246340000   492680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08879e+03    1.96523e+04    1.31670e+04    1.19450e+03   -3.12227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93981e+03    9.26143e+04    4.01787e+05   -2.34458e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65068e+04   -2.44619e+06    4.78942e+05   -1.96725e+06    2.63331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10507e+02   -2.08343e+02    9.02117e+01    5.20120e-06


DD  step 246344999 load imb.: force 16.1%  pme mesh/force 0.686
           Step           Time
      246345000   492690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11057e+03    1.93934e+04    1.30940e+04    1.22207e+03   -3.06922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82578e+03    9.23776e+04    4.02616e+05   -2.34274e+04   -2.98141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64465e+04   -2.44982e+06    4.80932e+05   -1.96889e+06    2.63336e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11797e+02   -2.08017e+02    1.32657e+01    5.17386e-06


DD  step 246349999 load imb.: force 16.3%  pme mesh/force 0.696
           Step           Time
      246350000   492700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23334e+03    1.95470e+04    1.30359e+04    1.23186e+03   -3.03234e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68374e+03    9.30898e+04    3.97970e+05   -2.33502e+04   -2.97357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65381e+04   -2.44562e+06    4.80727e+05   -1.96490e+06    2.63342e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11664e+02   -2.06650e+02   -9.73260e+01    5.14264e-06


DD  step 246354999 load imb.: force 15.6%  pme mesh/force 0.684
           Step           Time
      246355000   492710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27437e+03    1.93507e+04    1.31646e+04    1.25811e+03   -3.20145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83009e+03    9.30411e+04    4.01395e+05   -2.33660e+04   -2.97846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66805e+04   -2.44704e+06    4.79902e+05   -1.96714e+06    2.63348e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11129e+02   -2.06930e+02    8.74313e-01    5.12818e-06


DD  step 246359999 load imb.: force 17.6%  pme mesh/force 0.718
           Step           Time
      246360000   492720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20242e+03    1.94196e+04    1.31366e+04    1.23030e+03   -3.09555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91673e+03    9.29648e+04    4.00780e+05   -2.33663e+04   -2.97941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64364e+04   -2.44878e+06    4.78781e+05   -1.97000e+06    2.63354e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10402e+02   -2.06935e+02    3.22685e+01    5.04243e-06


DD  step 246364999 load imb.: force 15.4%  pme mesh/force 0.683
           Step           Time
      246365000   492730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07718e+03    1.92775e+04    1.32120e+04    1.13815e+03   -3.16888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90548e+03    9.25105e+04    4.01049e+05   -2.33809e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65183e+04   -2.44666e+06    4.78981e+05   -1.96768e+06    2.63360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10532e+02   -2.07192e+02    1.84265e+01    5.17836e-06


DD  step 246369999 load imb.: force 15.5%  pme mesh/force 0.704
           Step           Time
      246370000   492740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12062e+03    1.96305e+04    1.32443e+04    1.24265e+03   -3.08023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84359e+03    9.29162e+04    4.00358e+05   -2.33931e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64351e+04   -2.44594e+06    4.82083e+05   -1.96385e+06    2.63365e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12543e+02   -2.07409e+02   -7.83997e-02    4.92204e-06


DD  step 246374999 load imb.: force 16.1%  pme mesh/force 0.732
           Step           Time
      246375000   492750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91283e+03    1.91644e+04    1.31326e+04    1.18191e+03   -3.10032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89770e+03    9.33576e+04    3.99346e+05   -2.33836e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44646e+06    4.77633e+05   -1.96883e+06    2.63371e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09658e+02   -2.07240e+02    3.70614e+01    5.07000e-06


DD  step 246379999 load imb.: force 13.5%  pme mesh/force 0.699
           Step           Time
      246380000   492760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81841e+03    1.91808e+04    1.32977e+04    1.20163e+03   -3.03539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93867e+03    9.27705e+04    4.00223e+05   -2.33776e+04   -2.97883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66560e+04   -2.44916e+06    4.78768e+05   -1.97039e+06    2.63377e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10394e+02   -2.07134e+02   -9.85892e+00    4.88999e-06


DD  step 246384999 load imb.: force 15.7%  pme mesh/force 0.729
           Step           Time
      246385000   492770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98344e+03    1.93530e+04    1.30429e+04    1.16268e+03   -3.09553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73388e+03    9.31783e+04    4.04289e+05   -2.34422e+04   -2.98359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64756e+04   -2.44991e+06    4.81304e+05   -1.96861e+06    2.63382e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12038e+02   -2.08280e+02    1.77672e+02    5.00463e-06


DD  step 246389999 load imb.: force 16.1%  pme mesh/force 0.696
           Step           Time
      246390000   492780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08070e+03    1.96338e+04    1.32486e+04    1.17076e+03   -3.00753e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74640e+03    9.28742e+04    3.97269e+05   -2.33291e+04   -2.97178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66332e+04   -2.44446e+06    4.81566e+05   -1.96289e+06    2.63388e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12208e+02   -2.06276e+02   -1.40169e+02    5.19817e-06


DD  step 246394999 load imb.: force 15.7%  pme mesh/force 0.712
           Step           Time
      246395000   492790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89027e+03    1.93044e+04    1.32242e+04    1.14998e+03   -3.03275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87493e+03    9.29277e+04    4.02025e+05   -2.33598e+04   -2.97853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63902e+04   -2.44714e+06    4.76479e+05   -1.97066e+06    2.63394e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08910e+02   -2.06820e+02    2.05968e+01    5.01235e-06


DD  step 246399999 load imb.: force 15.8%  pme mesh/force 0.697
           Step           Time
      246400000   492800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98085e+03    1.89001e+04    1.31951e+04    1.28899e+03   -3.11051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89448e+03    9.31319e+04    3.97474e+05   -2.33637e+04   -2.97245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64308e+04   -2.44563e+06    4.79077e+05   -1.96656e+06    2.63400e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.06889e+02   -7.44869e+01    5.09072e-06


DD  step 246404999 load imb.: force 15.5%  pme mesh/force 0.696
           Step           Time
      246405000   492810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08120e+03    1.94260e+04    1.31007e+04    1.22557e+03   -3.06878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78806e+03    9.24272e+04    4.02497e+05   -2.33896e+04   -2.98108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63233e+04   -2.44967e+06    4.80347e+05   -1.96932e+06    2.63406e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11418e+02   -2.07347e+02    7.36648e+01    4.99079e-06


DD  step 246409999 load imb.: force 16.1%  pme mesh/force 0.703
           Step           Time
      246410000   492820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78769e+03    1.94552e+04    1.32224e+04    1.22178e+03   -3.04084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84754e+03    9.24528e+04    4.00162e+05   -2.33938e+04   -2.97909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64839e+04   -2.44989e+06    4.79908e+05   -1.96998e+06    2.63411e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11133e+02   -2.07421e+02   -6.76508e+00    4.87615e-06


DD  step 246414999 load imb.: force 17.1%  pme mesh/force 0.723
           Step           Time
      246415000   492830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22269e+03    1.92281e+04    1.33423e+04    1.23745e+03   -3.06863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78120e+03    9.30282e+04    3.98394e+05   -2.33942e+04   -2.97485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63669e+04   -2.44672e+06    4.80304e+05   -1.96641e+06    2.63417e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11390e+02   -2.07428e+02   -4.46961e+01    5.13182e-06


DD  step 246419999 load imb.: force 15.9%  pme mesh/force 0.729
           Step           Time
      246420000   492840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99733e+03    1.93789e+04    1.31837e+04    1.16325e+03   -3.04840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69231e+03    9.21717e+04    4.03468e+05   -2.34001e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65144e+04   -2.44608e+06    4.79184e+05   -1.96690e+06    2.63423e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10664e+02   -2.07532e+02    1.35135e+02    5.01014e-06


DD  step 246424999 load imb.: force 14.5%  pme mesh/force 0.710
           Step           Time
      246425000   492850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11657e+03    1.92535e+04    1.30688e+04    1.07475e+03   -3.09421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86126e+03    9.23257e+04    4.00279e+05   -2.33650e+04   -2.97815e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63941e+04   -2.44924e+06    4.78125e+05   -1.97111e+06    2.63428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09977e+02   -2.06912e+02   -4.04221e+01    5.01480e-06


DD  step 246429999 load imb.: force 15.4%  pme mesh/force 0.720
           Step           Time
      246430000   492860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13676e+03    1.92108e+04    1.32961e+04    1.15068e+03   -3.08556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83198e+03    9.31406e+04    4.02219e+05   -2.33998e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63840e+04   -2.44673e+06    4.80021e+05   -1.96671e+06    2.63434e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11206e+02   -2.07527e+02    6.29920e+01    5.07686e-06


DD  step 246434999 load imb.: force 16.8%  pme mesh/force 0.692
           Step           Time
      246435000   492870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05986e+03    1.90008e+04    1.33328e+04    1.17662e+03   -3.03376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80175e+03    9.33356e+04    3.97458e+05   -2.33317e+04   -2.97163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67115e+04   -2.44412e+06    4.79217e+05   -1.96490e+06    2.63439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10685e+02   -2.06323e+02   -1.19862e+02    5.02405e-06


DD  step 246439999 load imb.: force 14.7%  pme mesh/force 0.707
           Step           Time
      246440000   492880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92726e+03    1.95252e+04    1.31397e+04    1.14669e+03   -3.00995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81347e+03    9.26324e+04    4.03328e+05   -2.33823e+04   -2.98021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63231e+04   -2.44777e+06    4.78579e+05   -1.96919e+06    2.63446e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10271e+02   -2.07217e+02    8.89806e+01    5.07211e-06

Writing checkpoint, step 246441300 at Wed Nov  8 15:16:28 2023



DD  step 246444999 load imb.: force 14.2%  pme mesh/force 0.712
           Step           Time
      246445000   492890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13040e+03    1.92945e+04    1.32100e+04    1.20750e+03   -3.09121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76558e+03    9.25496e+04    3.99031e+05   -2.33842e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65104e+04   -2.44641e+06    4.80004e+05   -1.96641e+06    2.63451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11195e+02   -2.07251e+02   -3.27513e+01    4.98261e-06


DD  step 246449999 load imb.: force 14.7%  pme mesh/force 0.685
           Step           Time
      246450000   492900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95201e+03    1.93342e+04    1.31757e+04    1.20517e+03   -3.10049e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79474e+03    9.26487e+04    3.99689e+05   -2.33923e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63286e+04   -2.45106e+06    4.78696e+05   -1.97237e+06    2.63457e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10347e+02   -2.07394e+02   -5.37751e+01    4.82765e-06


DD  step 246454999 load imb.: force 15.3%  pme mesh/force 0.695
           Step           Time
      246455000   492910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92928e+03    1.96238e+04    1.30979e+04    1.18162e+03   -3.04518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79997e+03    9.28943e+04    4.01868e+05   -2.34211e+04   -2.98018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62987e+04   -2.44896e+06    4.79718e+05   -1.96924e+06    2.63463e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11010e+02   -2.07904e+02    7.24778e+01    5.00228e-06


DD  step 246459999 load imb.: force 14.8%  pme mesh/force 0.734
           Step           Time
      246460000   492920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99186e+03    1.94321e+04    1.30559e+04    1.23036e+03   -2.99165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81814e+03    9.28287e+04    4.00255e+05   -2.33442e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63375e+04   -2.44755e+06    4.79072e+05   -1.96848e+06    2.63468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10591e+02   -2.06544e+02   -9.59944e+00    4.98849e-06


DD  step 246464999 load imb.: force 15.0%  pme mesh/force 0.688
           Step           Time
      246465000   492930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91374e+03    1.94155e+04    1.30552e+04    1.20910e+03   -3.12260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80886e+03    9.29921e+04    3.98461e+05   -2.33839e+04   -2.97443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66190e+04   -2.44646e+06    4.80664e+05   -1.96580e+06    2.63474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11623e+02   -2.07245e+02   -3.15633e+01    4.85370e-06


DD  step 246469999 load imb.: force 13.0%  pme mesh/force 0.681
           Step           Time
      246470000   492940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00567e+03    1.95142e+04    1.31414e+04    1.20254e+03   -3.14518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79029e+03    9.25907e+04    3.99513e+05   -2.33769e+04   -2.97616e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63687e+04   -2.44756e+06    4.80384e+05   -1.96717e+06    2.63480e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11442e+02   -2.07123e+02   -2.72656e+01    4.82476e-06


DD  step 246474999 load imb.: force 15.0%  pme mesh/force 0.695
           Step           Time
      246475000   492950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14758e+03    1.92672e+04    1.31628e+04    1.25426e+03   -3.14665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70693e+03    9.28200e+04    4.00656e+05   -2.33396e+04   -2.97515e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65983e+04   -2.44502e+06    4.78465e+05   -1.96656e+06    2.63486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10198e+02   -2.06462e+02   -4.06827e+01    4.85603e-06


DD  step 246479999 load imb.: force 16.3%  pme mesh/force 0.706
           Step           Time
      246480000   492960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93647e+03    1.95098e+04    1.29635e+04    1.15317e+03   -2.96343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72290e+03    9.26699e+04    4.00843e+05   -2.34281e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62595e+04   -2.44897e+06    4.78402e+05   -1.97056e+06    2.63491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10156e+02   -2.08030e+02   -2.77941e+01    4.86060e-06


DD  step 246484999 load imb.: force 14.8%  pme mesh/force 0.693
           Step           Time
      246485000   492970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17441e+03    1.95518e+04    1.29665e+04    1.10684e+03   -2.99490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69249e+03    9.29925e+04    4.01948e+05   -2.34341e+04   -2.98009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66052e+04   -2.44848e+06    4.80375e+05   -1.96810e+06    2.63498e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.08136e+02    5.31101e+01    5.10716e-06


DD  step 246489999 load imb.: force 15.5%  pme mesh/force 0.681
           Step           Time
      246490000   492980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94649e+03    1.93381e+04    1.32445e+04    1.27787e+03   -3.15408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93060e+03    9.24573e+04    4.03700e+05   -2.34119e+04   -2.98216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66449e+04   -2.44918e+06    4.80237e+05   -1.96895e+06    2.63503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11346e+02   -2.07741e+02    8.21539e+01    4.97609e-06


DD  step 246494999 load imb.: force 17.0%  pme mesh/force 0.705
           Step           Time
      246495000   492990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12558e+03    1.97378e+04    1.32422e+04    1.18064e+03   -3.12436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84492e+03    9.22501e+04    4.01995e+05   -2.34096e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65738e+04   -2.44828e+06    4.81138e+05   -1.96714e+06    2.63509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11931e+02   -2.07701e+02    8.78541e+01    4.99433e-06


DD  step 246499999 load imb.: force 16.4%  pme mesh/force 0.705
           Step           Time
      246500000   493000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16562e+03    1.93684e+04    1.31902e+04    1.16504e+03   -3.05921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84047e+03    9.33697e+04    3.99976e+05   -2.33958e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64902e+04   -2.44739e+06    4.81761e+05   -1.96563e+06    2.63514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12334e+02   -2.07456e+02    6.31483e+00    5.07542e-06


DD  step 246504999 load imb.: force 17.3%  pme mesh/force 0.730
           Step           Time
      246505000   493010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26975e+03    1.94129e+04    1.32098e+04    1.15392e+03   -3.06661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64289e+03    9.29254e+04    3.98849e+05   -2.34100e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67082e+04   -2.44600e+06    4.80531e+05   -1.96547e+06    2.63520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11537e+02   -2.07709e+02   -3.16900e+01    5.02814e-06


DD  step 246509999 load imb.: force 15.4%  pme mesh/force 0.702
           Step           Time
      246510000   493020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99614e+03    1.89608e+04    1.30241e+04    1.18012e+03   -3.06819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71731e+03    9.32682e+04    3.98754e+05   -2.33738e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63769e+04   -2.44938e+06    4.79514e+05   -1.96986e+06    2.63526e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.07067e+02   -9.95188e+01    5.08563e-06


DD  step 246514999 load imb.: force 14.0%  pme mesh/force 0.689
           Step           Time
      246515000   493030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92205e+03    1.92303e+04    1.29909e+04    1.20210e+03   -3.03045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74428e+03    9.29981e+04    4.03141e+05   -2.33658e+04   -2.98185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64846e+04   -2.44953e+06    4.78881e+05   -1.97065e+06    2.63533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.06926e+02    4.40225e+00    5.00553e-06


DD  step 246519999 load imb.: force 14.7%  pme mesh/force 0.709
           Step           Time
      246520000   493040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94019e+03    1.92571e+04    1.32995e+04    1.25038e+03   -3.08470e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77435e+03    9.26720e+04    4.00044e+05   -2.33950e+04   -2.97656e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64544e+04   -2.44734e+06    4.79238e+05   -1.96810e+06    2.63538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10699e+02   -2.07442e+02   -2.49753e+01    5.10312e-06


DD  step 246524999 load imb.: force 14.4%  pme mesh/force 0.697
           Step           Time
      246525000   493050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01560e+03    1.98459e+04    1.30880e+04    1.26002e+03   -3.00773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84160e+03    9.21434e+04    4.04112e+05   -2.33499e+04   -2.98066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65394e+04   -2.44717e+06    4.79766e+05   -1.96740e+06    2.63544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.06644e+02    3.22630e+01    4.92872e-06


DD  step 246529999 load imb.: force 14.6%  pme mesh/force 0.695
           Step           Time
      246530000   493060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02185e+03    1.95666e+04    1.30723e+04    1.17981e+03   -3.06182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81502e+03    9.21208e+04    4.00173e+05   -2.33882e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65343e+04   -2.44580e+06    4.79906e+05   -1.96590e+06    2.63549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.07322e+02    6.45719e+01    4.97614e-06


DD  step 246534999 load imb.: force 14.3%  pme mesh/force 0.687
           Step           Time
      246535000   493070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03799e+03    1.95263e+04    1.31132e+04    1.13756e+03   -3.07237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82448e+03    9.31092e+04    3.99985e+05   -2.33863e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66687e+04   -2.44488e+06    4.78837e+05   -1.96605e+06    2.63555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10439e+02   -2.07288e+02    1.25212e+01    4.72153e-06


DD  step 246539999 load imb.: force 13.8%  pme mesh/force 0.683
           Step           Time
      246540000   493080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00530e+03    1.92919e+04    1.31076e+04    1.20385e+03   -2.93212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82634e+03    9.26280e+04    4.03150e+05   -2.34232e+04   -2.98194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65326e+04   -2.44955e+06    4.80287e+05   -1.96927e+06    2.63561e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.07942e+02    7.56600e+01    5.01000e-06


DD  step 246544999 load imb.: force 14.9%  pme mesh/force 0.680
           Step           Time
      246545000   493090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34895e+03    1.94721e+04    1.31013e+04    1.18701e+03   -2.98342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72426e+03    9.23709e+04    4.02905e+05   -2.33664e+04   -2.98019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65275e+04   -2.44790e+06    4.78974e+05   -1.96893e+06    2.63567e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10527e+02   -2.06936e+02    6.26227e+00    4.95100e-06


DD  step 246549999 load imb.: force 14.1%  pme mesh/force 0.706
           Step           Time
      246550000   493100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01693e+03    1.92901e+04    1.30105e+04    1.17894e+03   -2.98691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90550e+03    9.31757e+04    3.99008e+05   -2.33869e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64499e+04   -2.44650e+06    4.80405e+05   -1.96609e+06    2.63572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11455e+02   -2.07299e+02   -8.37375e+00    4.84033e-06


DD  step 246554999 load imb.: force 15.0%  pme mesh/force 0.709
           Step           Time
      246555000   493110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24938e+03    1.95355e+04    1.33179e+04    1.24161e+03   -3.05040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69002e+03    9.23814e+04    3.99126e+05   -2.33381e+04   -2.97400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67027e+04   -2.44514e+06    4.77823e+05   -1.96732e+06    2.63579e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09781e+02   -2.06436e+02   -8.09162e+01    4.97782e-06


DD  step 246559999 load imb.: force 19.7%  pme mesh/force 0.772
           Step           Time
      246560000   493120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11059e+03    1.94030e+04    1.30526e+04    1.12145e+03   -2.99829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81409e+03    9.24017e+04    4.02110e+05   -2.34209e+04   -2.98096e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63894e+04   -2.44997e+06    4.78575e+05   -1.97140e+06    2.63584e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10269e+02   -2.07901e+02    3.57628e+01    5.00721e-06


DD  step 246564999 load imb.: force 16.0%  pme mesh/force 0.723
           Step           Time
      246565000   493130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92330e+03    1.95790e+04    1.31136e+04    1.20825e+03   -3.04688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81221e+03    9.25260e+04    4.00528e+05   -2.34222e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65234e+04   -2.44852e+06    4.80060e+05   -1.96846e+06    2.63590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11231e+02   -2.07925e+02   -1.69384e+01    5.22061e-06


DD  step 246569999 load imb.: force 17.9%  pme mesh/force 0.721
           Step           Time
      246570000   493140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82217e+03    1.90923e+04    1.30702e+04    1.18984e+03   -3.11058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01306e+03    9.25223e+04    4.02070e+05   -2.34030e+04   -2.98041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64721e+04   -2.44967e+06    4.79780e+05   -1.96989e+06    2.63595e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.07585e+02    7.77840e+01    5.03174e-06


DD  step 246574999 load imb.: force 15.9%  pme mesh/force 0.721
           Step           Time
      246575000   493150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04405e+03    1.92308e+04    1.31903e+04    1.17301e+03   -2.98724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81122e+03    9.25048e+04    4.03922e+05   -2.33653e+04   -2.98133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65401e+04   -2.44826e+06    4.78727e+05   -1.96954e+06    2.63601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10367e+02   -2.06917e+02    8.78402e+01    4.93464e-06


DD  step 246579999 load imb.: force 14.8%  pme mesh/force 0.709
           Step           Time
      246580000   493160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18232e+03    1.98038e+04    1.32295e+04    1.14534e+03   -3.12121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71169e+03    9.28452e+04    3.99017e+05   -2.33648e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67189e+04   -2.44549e+06    4.82173e+05   -1.96332e+06    2.63607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12602e+02   -2.06908e+02   -2.66697e+01    5.23745e-06


DD  step 246584999 load imb.: force 14.4%  pme mesh/force 0.732
           Step           Time
      246585000   493170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95050e+03    1.95025e+04    1.30923e+04    1.15620e+03   -2.95994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79838e+03    9.20806e+04    3.98226e+05   -2.34012e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63843e+04   -2.44953e+06    4.79430e+05   -1.97010e+06    2.63613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10823e+02   -2.07551e+02   -9.47569e+01    5.03743e-06


DD  step 246589999 load imb.: force 15.2%  pme mesh/force 0.703
           Step           Time
      246590000   493180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81072e+03    1.96750e+04    1.32866e+04    1.18562e+03   -3.04006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96946e+03    9.22561e+04    4.03415e+05   -2.33834e+04   -2.98016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65010e+04   -2.44749e+06    4.78717e+05   -1.96877e+06    2.63619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.07237e+02    1.33041e+02    4.87874e-06


DD  step 246594999 load imb.: force 16.8%  pme mesh/force 0.705
           Step           Time
      246595000   493190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15722e+03    1.93612e+04    1.31958e+04    1.12231e+03   -3.02902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83066e+03    9.26063e+04    3.99262e+05   -2.33936e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65825e+04   -2.44553e+06    4.79420e+05   -1.96611e+06    2.63624e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10817e+02   -2.07418e+02   -4.59502e+00    5.13058e-06


DD  step 246599999 load imb.: force 17.9%  pme mesh/force 0.708
           Step           Time
      246600000   493200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85190e+03    1.96341e+04    1.30523e+04    1.25179e+03   -3.02730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92217e+03    9.28998e+04    3.97817e+05   -2.33786e+04   -2.97039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65092e+04   -2.44286e+06    4.80831e+05   -1.96202e+06    2.63630e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11732e+02   -2.07152e+02   -6.59610e+00    5.06406e-06


DD  step 246604999 load imb.: force 15.8%  pme mesh/force 0.714
           Step           Time
      246605000   493210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76583e+03    1.95555e+04    1.31189e+04    1.04540e+03   -2.98917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97691e+03    9.27180e+04    4.02778e+05   -2.34046e+04   -2.98067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64869e+04   -2.44862e+06    4.79620e+05   -1.96900e+06    2.63636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.07612e+02    9.67177e+01    4.91201e-06


DD  step 246609999 load imb.: force 16.0%  pme mesh/force 0.701
           Step           Time
      246610000   493220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02985e+03    1.98769e+04    1.31526e+04    1.16672e+03   -3.06543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93554e+03    9.23506e+04    3.98242e+05   -2.33359e+04   -2.97132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65147e+04   -2.44345e+06    4.80542e+05   -1.96291e+06    2.63641e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11544e+02   -2.06396e+02   -1.91777e+01    5.18618e-06


DD  step 246614999 load imb.: force 16.0%  pme mesh/force 0.695
           Step           Time
      246615000   493230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79907e+03    1.98337e+04    1.29612e+04    1.21549e+03   -3.10900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87231e+03    9.23349e+04    4.00641e+05   -2.34531e+04   -2.97756e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65966e+04   -2.44787e+06    4.80173e+05   -1.96770e+06    2.63647e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11305e+02   -2.08472e+02    6.36764e+01    4.96587e-06


DD  step 246619999 load imb.: force 15.7%  pme mesh/force 0.706
           Step           Time
      246620000   493240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92899e+03    1.97548e+04    1.31605e+04    1.18351e+03   -3.03822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95257e+03    9.21775e+04    4.01492e+05   -2.34154e+04   -2.97711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65173e+04   -2.44640e+06    4.76363e+05   -1.97003e+06    2.63653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08835e+02   -2.07804e+02    8.26895e+01    5.07043e-06


DD  step 246624999 load imb.: force 16.5%  pme mesh/force 0.705
           Step           Time
      246625000   493250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01585e+03    1.95406e+04    1.30119e+04    1.21660e+03   -3.05274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81281e+03    9.25565e+04    4.03869e+05   -2.33818e+04   -2.98128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66179e+04   -2.44807e+06    4.82540e+05   -1.96553e+06    2.63658e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12839e+02   -2.07208e+02    1.21962e+02    5.12060e-06


DD  step 246629999 load imb.: force 15.6%  pme mesh/force 0.722
           Step           Time
      246630000   493260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91169e+03    1.94585e+04    1.31096e+04    1.14634e+03   -3.13066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73422e+03    9.21797e+04    4.02363e+05   -2.33719e+04   -2.97940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66394e+04   -2.44836e+06    4.79748e+05   -1.96861e+06    2.63664e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.07033e+02    5.04686e+01    5.03142e-06


DD  step 246634999 load imb.: force 15.7%  pme mesh/force 0.726
           Step           Time
      246635000   493270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27669e+03    1.94586e+04    1.32598e+04    1.19601e+03   -3.05561e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94339e+03    9.24545e+04    4.03595e+05   -2.34063e+04   -2.97863e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64109e+04   -2.44550e+06    4.82957e+05   -1.96254e+06    2.63670e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13110e+02   -2.07642e+02    1.27695e+02    5.17657e-06


DD  step 246639999 load imb.: force 16.2%  pme mesh/force 0.703
           Step           Time
      246640000   493280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98237e+03    1.94344e+04    1.30733e+04    1.13883e+03   -3.10164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89403e+03    9.27626e+04    3.97613e+05   -2.33657e+04   -2.97417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61368e+04   -2.44760e+06    4.80608e+05   -1.96700e+06    2.63675e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11587e+02   -2.06925e+02   -4.36485e+01    5.01913e-06


DD  step 246644999 load imb.: force 16.9%  pme mesh/force 0.748
           Step           Time
      246645000   493290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04056e+03    1.95976e+04    1.31328e+04    1.17672e+03   -2.95953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84265e+03    9.21845e+04    3.98591e+05   -2.33785e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63642e+04   -2.44683e+06    4.80232e+05   -1.96660e+06    2.63681e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11343e+02   -2.07151e+02   -9.06647e+01    5.10722e-06


DD  step 246649999 load imb.: force 14.4%  pme mesh/force 0.694
           Step           Time
      246650000   493300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03869e+03    1.97539e+04    1.31292e+04    1.18485e+03   -3.10947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75821e+03    9.27876e+04    3.97726e+05   -2.33331e+04   -2.97106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66111e+04   -2.44351e+06    4.79537e+05   -1.96398e+06    2.63687e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10892e+02   -2.06348e+02   -8.69302e+01    5.23874e-06


DD  step 246654999 load imb.: force 14.4%  pme mesh/force 0.684
           Step           Time
      246655000   493310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98948e+03    1.92518e+04    1.32333e+04    1.24244e+03   -3.19276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79168e+03    9.27606e+04    4.00309e+05   -2.34022e+04   -2.97952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64984e+04   -2.45004e+06    4.80580e+05   -1.96946e+06    2.63693e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11568e+02   -2.07569e+02   -4.87083e+01    4.95371e-06


DD  step 246659999 load imb.: force 16.3%  pme mesh/force 0.733
           Step           Time
      246660000   493320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94093e+03    1.94812e+04    1.30416e+04    1.10098e+03   -3.09381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93833e+03    9.30169e+04    3.99675e+05   -2.33682e+04   -2.97485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64407e+04   -2.44567e+06    4.78843e+05   -1.96683e+06    2.63699e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.06968e+02    1.25962e+01    5.05870e-06


DD  step 246664999 load imb.: force 16.2%  pme mesh/force 0.722
           Step           Time
      246665000   493330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00731e+03    1.96082e+04    1.29730e+04    1.29238e+03   -2.95857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74471e+03    9.27103e+04    3.99489e+05   -2.33574e+04   -2.97482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64864e+04   -2.44582e+06    4.81655e+05   -1.96417e+06    2.63705e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12266e+02   -2.06777e+02   -6.69578e+01    5.03435e-06


DD  step 246669999 load imb.: force 17.0%  pme mesh/force 0.731
           Step           Time
      246670000   493340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02862e+03    1.98433e+04    1.30614e+04    1.17453e+03   -2.95799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75353e+03    9.28838e+04    3.99230e+05   -2.33679e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64779e+04   -2.44498e+06    4.79732e+05   -1.96525e+06    2.63711e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11019e+02   -2.06964e+02   -2.36804e+01    5.05691e-06


DD  step 246674999 load imb.: force 15.9%  pme mesh/force 0.721
           Step           Time
      246675000   493350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00782e+03    1.98226e+04    1.31167e+04    1.15703e+03   -3.12000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89225e+03    9.31338e+04    4.02881e+05   -2.33972e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63840e+04   -2.44619e+06    4.81510e+05   -1.96468e+06    2.63717e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12171e+02   -2.07481e+02    1.34731e+02    4.96181e-06


DD  step 246679999 load imb.: force 17.3%  pme mesh/force 0.729
           Step           Time
      246680000   493360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13564e+03    1.94571e+04    1.31398e+04    1.15214e+03   -3.07542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81676e+03    9.28825e+04    3.98532e+05   -2.33353e+04   -2.97351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64264e+04   -2.44538e+06    4.80483e+05   -1.96490e+06    2.63722e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11506e+02   -2.06386e+02   -5.86460e+01    5.02775e-06


DD  step 246684999 load imb.: force 14.8%  pme mesh/force 0.695
           Step           Time
      246685000   493370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87168e+03    1.94941e+04    1.31319e+04    1.16428e+03   -3.05657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91928e+03    9.31427e+04    3.96563e+05   -2.33638e+04   -2.97214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63590e+04   -2.44591e+06    4.80029e+05   -1.96588e+06    2.63728e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11211e+02   -2.06890e+02   -7.37879e+01    5.29180e-06


DD  step 246689999 load imb.: force 16.4%  pme mesh/force 0.750
           Step           Time
      246690000   493380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89331e+03    1.96839e+04    1.33599e+04    1.19026e+03   -3.10406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73920e+03    9.25538e+04    4.03324e+05   -2.34301e+04   -2.98146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64312e+04   -2.44882e+06    4.80538e+05   -1.96828e+06    2.63734e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11541e+02   -2.08064e+02    1.05349e+02    5.14190e-06


DD  step 246694999 load imb.: force 15.3%  pme mesh/force 0.721
           Step           Time
      246695000   493390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20979e+03    1.94329e+04    1.31361e+04    1.11782e+03   -3.09551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77704e+03    9.28514e+04    3.96529e+05   -2.33670e+04   -2.97222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64811e+04   -2.44614e+06    4.79331e+05   -1.96681e+06    2.63740e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.06947e+02   -1.43074e+02    5.17809e-06


DD  step 246699999 load imb.: force 15.7%  pme mesh/force 0.714
           Step           Time
      246700000   493400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05302e+03    1.96595e+04    1.33382e+04    1.14253e+03   -3.13120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88254e+03    9.25116e+04    3.99821e+05   -2.33602e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65716e+04   -2.44733e+06    4.79124e+05   -1.96821e+06    2.63746e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10625e+02   -2.06827e+02   -1.55749e+01    5.07512e-06


DD  step 246704999 load imb.: force 15.8%  pme mesh/force 0.773
           Step           Time
      246705000   493410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02028e+03    2.00819e+04    1.31614e+04    1.15112e+03   -3.10240e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82170e+03    9.20495e+04    3.99047e+05   -2.33533e+04   -2.97273e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65209e+04   -2.44433e+06    4.81406e+05   -1.96293e+06    2.63751e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12104e+02   -2.06704e+02   -1.66307e+01    5.10605e-06


DD  step 246709999 load imb.: force 15.4%  pme mesh/force 0.717
           Step           Time
      246710000   493420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00349e+03    1.92379e+04    1.32205e+04    1.11647e+03   -3.00137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82820e+03    9.23872e+04    3.98151e+05   -2.33392e+04   -2.97276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65443e+04   -2.44561e+06    4.83431e+05   -1.96218e+06    2.63756e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13417e+02   -2.06456e+02   -7.21848e+01    4.95695e-06


DD  step 246714999 load imb.: force 17.6%  pme mesh/force 0.722
           Step           Time
      246715000   493430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10989e+03    1.92726e+04    1.31976e+04    1.19548e+03   -2.99688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75735e+03    9.25474e+04    4.00979e+05   -2.33818e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63798e+04   -2.44678e+06    4.79138e+05   -1.96765e+06    2.63762e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10634e+02   -2.07208e+02   -2.54652e+01    5.03704e-06


DD  step 246719999 load imb.: force 16.2%  pme mesh/force 0.732
           Step           Time
      246720000   493440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04058e+03    1.90801e+04    1.28759e+04    1.18216e+03   -3.08617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79495e+03    9.24956e+04    4.01774e+05   -2.33772e+04   -2.97813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66406e+04   -2.44771e+06    4.79536e+05   -1.96817e+06    2.63768e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10892e+02   -2.07128e+02    4.52390e+01    4.93414e-06


DD  step 246724999 load imb.: force 13.9%  pme mesh/force 0.699
           Step           Time
      246725000   493450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16695e+03    1.91494e+04    1.31910e+04    1.10670e+03   -3.01499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81718e+03    9.21257e+04    3.98748e+05   -2.33844e+04   -2.97551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65083e+04   -2.44810e+06    4.79306e+05   -1.96879e+06    2.63774e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.07255e+02   -5.29208e+01    4.90933e-06


DD  step 246729999 load imb.: force 15.3%  pme mesh/force 0.716
           Step           Time
      246730000   493460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09291e+03    1.92014e+04    1.31612e+04    1.19318e+03   -3.03774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90398e+03    9.24523e+04    4.02589e+05   -2.34023e+04   -2.97943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65596e+04   -2.44772e+06    4.80575e+05   -1.96714e+06    2.63780e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11565e+02   -2.07572e+02    9.34701e+01    4.98189e-06


DD  step 246734999 load imb.: force 17.1%  pme mesh/force 0.731
           Step           Time
      246735000   493470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12336e+03    1.94100e+04    1.30014e+04    1.18578e+03   -3.04719e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00514e+03    9.27025e+04    4.01003e+05   -2.33851e+04   -2.97888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62564e+04   -2.44863e+06    4.80094e+05   -1.96854e+06    2.63786e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11254e+02   -2.07267e+02    4.39574e+01    5.11476e-06


DD  step 246739999 load imb.: force 15.1%  pme mesh/force 0.698
           Step           Time
      246740000   493480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23382e+03    1.94526e+04    1.30974e+04    1.25447e+03   -3.01689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81687e+03    9.25339e+04    3.99254e+05   -2.33245e+04   -2.97263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66493e+04   -2.44368e+06    4.80126e+05   -1.96355e+06    2.63792e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11274e+02   -2.06196e+02   -5.42489e+01    5.33287e-06


DD  step 246744999 load imb.: force 15.2%  pme mesh/force 0.728
           Step           Time
      246745000   493490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29776e+03    1.93053e+04    1.30725e+04    1.15490e+03   -3.05336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75639e+03    9.22994e+04    4.00470e+05   -2.34072e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64115e+04   -2.45081e+06    4.77852e+05   -1.97296e+06    2.63798e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09800e+02   -2.07659e+02   -4.58840e+01    5.07099e-06


DD  step 246749999 load imb.: force 14.2%  pme mesh/force 0.681
           Step           Time
      246750000   493500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29401e+03    1.91531e+04    1.31861e+04    1.15882e+03   -3.07352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83548e+03    9.23506e+04    4.00910e+05   -2.33897e+04   -2.97706e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66712e+04   -2.44696e+06    4.79379e+05   -1.96758e+06    2.63804e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10790e+02   -2.07349e+02    9.93967e+00    5.05959e-06


DD  step 246754999 load imb.: force 15.6%  pme mesh/force 0.699
           Step           Time
      246755000   493510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24530e+03    1.96013e+04    1.30574e+04    1.20420e+03   -3.12157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78175e+03    9.22132e+04    3.98710e+05   -2.33460e+04   -2.97463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65861e+04   -2.44670e+06    4.79800e+05   -1.96690e+06    2.63810e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11063e+02   -2.06576e+02   -6.37428e+01    4.95818e-06


DD  step 246759999 load imb.: force 15.9%  pme mesh/force 0.730
           Step           Time
      246760000   493520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90552e+03    1.94350e+04    1.31817e+04    1.12589e+03   -3.17331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85151e+03    9.32700e+04    3.98163e+05   -2.33771e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65304e+04   -2.44682e+06    4.79745e+05   -1.96708e+06    2.63815e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11027e+02   -2.07126e+02   -8.49899e+01    5.16642e-06


DD  step 246764999 load imb.: force 16.8%  pme mesh/force 0.698
           Step           Time
      246765000   493530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17009e+03    1.93308e+04    1.31998e+04    1.14796e+03   -3.03858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85131e+03    9.26179e+04    4.00048e+05   -2.33919e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66306e+04   -2.44592e+06    4.79905e+05   -1.96602e+06    2.63821e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11131e+02   -2.07388e+02    4.10629e-01    5.17554e-06


DD  step 246769999 load imb.: force 16.6%  pme mesh/force 0.722
           Step           Time
      246770000   493540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18183e+03    1.94980e+04    1.30831e+04    1.21220e+03   -3.12920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84454e+03    9.23344e+04    4.02588e+05   -2.33745e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65014e+04   -2.44648e+06    4.80942e+05   -1.96554e+06    2.63827e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11803e+02   -2.07080e+02    4.84429e+01    5.17749e-06


DD  step 246774999 load imb.: force 14.6%  pme mesh/force 0.740
           Step           Time
      246775000   493550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10114e+03    1.94851e+04    1.32198e+04    1.21727e+03   -3.15755e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76714e+03    9.26271e+04    4.00404e+05   -2.33861e+04   -2.97739e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65548e+04   -2.44756e+06    4.78778e+05   -1.96878e+06    2.63833e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10400e+02   -2.07285e+02   -2.36302e+01    5.14935e-06


DD  step 246779999 load imb.: force 16.1%  pme mesh/force 0.696
           Step           Time
      246780000   493560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95151e+03    1.97797e+04    1.31768e+04    1.21417e+03   -3.04041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88840e+03    9.27229e+04    3.99866e+05   -2.33986e+04   -2.97357e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66038e+04   -2.44381e+06    4.78831e+05   -1.96497e+06    2.63838e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10435e+02   -2.07506e+02    3.89354e+01    4.91113e-06

Writing checkpoint, step 246784050 at Wed Nov  8 15:31:28 2023



DD  step 246784999 load imb.: force 16.4%  pme mesh/force 0.718
           Step           Time
      246785000   493570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72518e+03    1.96172e+04    1.33342e+04    1.14782e+03   -3.17717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87072e+03    9.28573e+04    4.00554e+05   -2.34125e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66930e+04   -2.44617e+06    4.81110e+05   -1.96506e+06    2.63844e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11912e+02   -2.07753e+02    5.07006e+01    5.20004e-06


DD  step 246789999 load imb.: force 16.8%  pme mesh/force 0.720
           Step           Time
      246790000   493580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95297e+03    1.97724e+04    1.29709e+04    1.24837e+03   -3.17474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92527e+03    9.24223e+04    4.01425e+05   -2.33377e+04   -2.97664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66078e+04   -2.44583e+06    4.79432e+05   -1.96639e+06    2.63850e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10824e+02   -2.06428e+02    3.89935e+01    5.18051e-06


DD  step 246794999 load imb.: force 13.7%  pme mesh/force 0.712
           Step           Time
      246795000   493590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91655e+03    1.92220e+04    1.29902e+04    1.25136e+03   -3.10935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80894e+03    9.25134e+04    4.00524e+05   -2.33377e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64454e+04   -2.44732e+06    4.78804e+05   -1.96851e+06    2.63855e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10417e+02   -2.06429e+02   -3.04661e+01    5.13310e-06


DD  step 246799999 load imb.: force 14.2%  pme mesh/force 0.721
           Step           Time
      246800000   493600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04060e+03    1.96314e+04    1.31585e+04    1.16111e+03   -3.11030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84739e+03    9.20162e+04    4.02894e+05   -2.34115e+04   -2.97990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64723e+04   -2.44820e+06    4.82201e+05   -1.96600e+06    2.63861e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12619e+02   -2.07734e+02    1.22753e+02    5.17391e-06


DD  step 246804999 load imb.: force 15.2%  pme mesh/force 0.723
           Step           Time
      246805000   493610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21271e+03    1.95737e+04    1.31186e+04    1.20772e+03   -3.06681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77737e+03    9.21640e+04    3.99507e+05   -2.33650e+04   -2.97460e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66477e+04   -2.44583e+06    4.79588e+05   -1.96624e+06    2.63867e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10926e+02   -2.06912e+02   -8.42660e+01    5.14681e-06


DD  step 246809999 load imb.: force 15.4%  pme mesh/force 0.739
           Step           Time
      246810000   493620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18665e+03    1.93768e+04    1.32225e+04    1.15961e+03   -3.04624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72819e+03    9.18055e+04    4.03199e+05   -2.33948e+04   -2.97987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63255e+04   -2.44831e+06    4.79930e+05   -1.96838e+06    2.63872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11148e+02   -2.07438e+02    8.74170e+01    5.08646e-06


DD  step 246814999 load imb.: force 15.6%  pme mesh/force 0.705
           Step           Time
      246815000   493630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88305e+03    1.92895e+04    1.32384e+04    1.25875e+03   -3.08811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76468e+03    9.23587e+04    3.99682e+05   -2.33338e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66635e+04   -2.44551e+06    4.78427e+05   -1.96708e+06    2.63878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10173e+02   -2.06359e+02   -1.38177e+01    5.10498e-06


DD  step 246819999 load imb.: force 18.4%  pme mesh/force 0.732
           Step           Time
      246820000   493640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16140e+03    1.97934e+04    1.32069e+04    1.19761e+03   -3.14456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67683e+03    9.24841e+04    4.01042e+05   -2.33916e+04   -2.97806e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62936e+04   -2.44774e+06    4.79540e+05   -1.96820e+06    2.63884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10895e+02   -2.07382e+02    1.48519e+01    5.28390e-06


DD  step 246824999 load imb.: force 15.8%  pme mesh/force 0.741
           Step           Time
      246825000   493650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96120e+03    1.93813e+04    1.31023e+04    1.16054e+03   -3.10773e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93426e+03    9.27566e+04    4.01463e+05   -2.33437e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64369e+04   -2.44787e+06    4.78868e+05   -1.96900e+06    2.63889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10458e+02   -2.06534e+02    1.31790e+01    5.32253e-06


DD  step 246829999 load imb.: force 15.5%  pme mesh/force 0.697
           Step           Time
      246830000   493660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20428e+03    1.94263e+04    1.31556e+04    1.18036e+03   -3.07320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92710e+03    9.20350e+04    4.03894e+05   -2.34034e+04   -2.98143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64831e+04   -2.44860e+06    4.79320e+05   -1.96928e+06    2.63895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10752e+02   -2.07592e+02    1.06096e+02    5.15300e-06


DD  step 246834999 load imb.: force 13.7%  pme mesh/force 0.709
           Step           Time
      246835000   493670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99499e+03    1.96736e+04    1.31750e+04    1.21386e+03   -3.16121e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85629e+03    9.25039e+04    4.01347e+05   -2.33880e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65080e+04   -2.44638e+06    4.80425e+05   -1.96595e+06    2.63901e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11468e+02   -2.07318e+02    3.75339e+01    5.15991e-06


DD  step 246839999 load imb.: force 14.8%  pme mesh/force 0.716
           Step           Time
      246840000   493680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08848e+03    1.94906e+04    1.32160e+04    1.21737e+03   -3.21618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80983e+03    9.23334e+04    4.00444e+05   -2.33886e+04   -2.97444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66352e+04   -2.44481e+06    4.77712e+05   -1.96710e+06    2.63907e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09710e+02   -2.07330e+02    1.45976e+01    5.24445e-06


DD  step 246844999 load imb.: force 16.1%  pme mesh/force 0.722
           Step           Time
      246845000   493690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00956e+03    1.92517e+04    1.30713e+04    1.17395e+03   -3.07847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84231e+03    9.28412e+04    4.05655e+05   -2.34228e+04   -2.98497e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65526e+04   -2.45007e+06    4.80641e+05   -1.96943e+06    2.63913e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11608e+02   -2.07936e+02    1.43873e+02    5.23731e-06


DD  step 246849999 load imb.: force 15.4%  pme mesh/force 0.718
           Step           Time
      246850000   493700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92720e+03    1.96804e+04    1.32883e+04    1.25770e+03   -3.16009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85725e+03    9.18218e+04    4.00043e+05   -2.33492e+04   -2.97431e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66058e+04   -2.44534e+06    4.79690e+05   -1.96565e+06    2.63918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10991e+02   -2.06632e+02    1.57018e+01    5.12426e-06


DD  step 246854999 load imb.: force 15.4%  pme mesh/force 0.725
           Step           Time
      246855000   493710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98806e+03    1.94294e+04    1.31174e+04    1.17282e+03   -3.09885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82644e+03    9.28455e+04    4.00232e+05   -2.33389e+04   -2.97531e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63954e+04   -2.44574e+06    4.81645e+05   -1.96410e+06    2.63924e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12259e+02   -2.06450e+02   -1.73120e+00    5.19116e-06


DD  step 246859999 load imb.: force 15.5%  pme mesh/force 0.709
           Step           Time
      246860000   493720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96338e+03    1.92893e+04    1.31501e+04    1.20172e+03   -3.12430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84521e+03    9.24572e+04    4.00191e+05   -2.33977e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66198e+04   -2.44714e+06    4.79605e+05   -1.96754e+06    2.63930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10936e+02   -2.07490e+02    2.30391e+01    5.22391e-06


DD  step 246864999 load imb.: force 16.8%  pme mesh/force 0.721
           Step           Time
      246865000   493730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06635e+03    1.94206e+04    1.30598e+04    1.28803e+03   -3.09912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80921e+03    9.28121e+04    4.00543e+05   -2.33992e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64886e+04   -2.44747e+06    4.81591e+05   -1.96588e+06    2.63936e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12224e+02   -2.07517e+02    1.86192e+01    5.23260e-06


DD  step 246869999 load imb.: force 16.4%  pme mesh/force 0.718
           Step           Time
      246870000   493740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87059e+03    1.94528e+04    1.29384e+04    1.20778e+03   -3.05485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81546e+03    9.28379e+04    4.01414e+05   -2.33922e+04   -2.97566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67651e+04   -2.44481e+06    4.79610e+05   -1.96520e+06    2.63942e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.07393e+02    6.40535e+01    5.19712e-06


DD  step 246874999 load imb.: force 16.4%  pme mesh/force 0.748
           Step           Time
      246875000   493750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97620e+03    1.98315e+04    1.31195e+04    1.22715e+03   -2.99976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92039e+03    9.30625e+04    3.97875e+05   -2.33859e+04   -2.97258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65261e+04   -2.44443e+06    4.79517e+05   -1.96491e+06    2.63948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.07281e+02    9.26497e+00    5.19676e-06


DD  step 246879999 load imb.: force 17.0%  pme mesh/force 0.744
           Step           Time
      246880000   493760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88379e+03    1.95746e+04    1.33150e+04    1.10166e+03   -3.14575e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86648e+03    9.25891e+04    3.97174e+05   -2.34169e+04   -2.97184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64680e+04   -2.44543e+06    4.80988e+05   -1.96445e+06    2.63953e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.07831e+02   -3.16615e+01    5.21830e-06


DD  step 246884999 load imb.: force 15.3%  pme mesh/force 0.727
           Step           Time
      246885000   493770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96228e+03    1.94088e+04    1.32630e+04    1.23473e+03   -3.10627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85013e+03    9.27830e+04    4.00792e+05   -2.33856e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63398e+04   -2.44645e+06    4.80229e+05   -1.96623e+06    2.63959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11341e+02   -2.07276e+02   -1.27218e+01    5.13074e-06


DD  step 246889999 load imb.: force 14.7%  pme mesh/force 0.711
           Step           Time
      246890000   493780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87343e+03    1.94563e+04    1.29297e+04    1.23863e+03   -3.12932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80826e+03    9.25168e+04    4.01223e+05   -2.33690e+04   -2.97819e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63958e+04   -2.44825e+06    4.80985e+05   -1.96726e+06    2.63965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11831e+02   -2.06983e+02    2.66916e+00    5.33484e-06


DD  step 246894999 load imb.: force 14.1%  pme mesh/force 0.705
           Step           Time
      246895000   493790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10874e+03    1.97329e+04    1.30952e+04    1.13848e+03   -3.14909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85362e+03    9.26555e+04    3.99716e+05   -2.33649e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65614e+04   -2.44520e+06    4.81694e+05   -1.96351e+06    2.63971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12291e+02   -2.06909e+02    7.67319e-01    5.40498e-06


DD  step 246899999 load imb.: force 14.4%  pme mesh/force 0.719
           Step           Time
      246900000   493800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07631e+03    1.96756e+04    1.33350e+04    1.24359e+03   -3.15023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83015e+03    9.28772e+04    4.01456e+05   -2.34221e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65908e+04   -2.44687e+06    4.81633e+05   -1.96524e+06    2.63977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12251e+02   -2.07923e+02    5.83161e+01    5.11252e-06


DD  step 246904999 load imb.: force 16.1%  pme mesh/force 0.720
           Step           Time
      246905000   493810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10557e+03    1.94565e+04    1.32325e+04    1.19728e+03   -3.12918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80654e+03    9.22682e+04    3.99219e+05   -2.33901e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64491e+04   -2.44812e+06    4.79207e+05   -1.96891e+06    2.63982e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10679e+02   -2.07355e+02   -6.74048e+01    5.25164e-06


DD  step 246909999 load imb.: force 13.9%  pme mesh/force 0.701
           Step           Time
      246910000   493820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07080e+03    1.93209e+04    1.31101e+04    1.16976e+03   -3.18839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90585e+03    9.28548e+04    4.01650e+05   -2.33758e+04   -2.97629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63832e+04   -2.44539e+06    4.80312e+05   -1.96508e+06    2.63989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11395e+02   -2.07103e+02    6.08893e+01    5.23138e-06


DD  step 246914999 load imb.: force 15.3%  pme mesh/force 0.703
           Step           Time
      246915000   493830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75281e+03    1.92698e+04    1.33220e+04    1.20143e+03   -3.13041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81861e+03    9.23769e+04    4.02689e+05   -2.33857e+04   -2.98048e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66209e+04   -2.44894e+06    4.77649e+05   -1.97129e+06    2.63994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09669e+02   -2.07277e+02    1.75588e+01    5.30304e-06


DD  step 246919999 load imb.: force 13.9%  pme mesh/force 0.713
           Step           Time
      246920000   493840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05362e+03    1.93420e+04    1.32264e+04    1.19538e+03   -3.22747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85498e+03    9.26688e+04    3.99333e+05   -2.34166e+04   -2.97506e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64864e+04   -2.44654e+06    4.79209e+05   -1.96734e+06    2.64000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10680e+02   -2.07826e+02    4.68790e+00    5.13964e-06


DD  step 246924999 load imb.: force 16.1%  pme mesh/force 0.741
           Step           Time
      246925000   493850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04415e+03    1.95440e+04    1.31536e+04    1.20647e+03   -3.05990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79216e+03    9.27612e+04    4.01296e+05   -2.33955e+04   -2.97996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65283e+04   -2.44909e+06    4.79934e+05   -1.96915e+06    2.64005e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11150e+02   -2.07451e+02    2.03126e+01    5.19510e-06


DD  step 246929999 load imb.: force 17.6%  pme mesh/force 0.727
           Step           Time
      246930000   493860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06308e+03    1.91541e+04    1.34857e+04    1.25489e+03   -3.22285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80111e+03    9.26288e+04    4.00023e+05   -2.33554e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66484e+04   -2.44724e+06    4.80327e+05   -1.96691e+06    2.64011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11405e+02   -2.06742e+02   -4.90157e+01    5.20362e-06


DD  step 246934999 load imb.: force 16.7%  pme mesh/force 0.710
           Step           Time
      246935000   493870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98348e+03    1.96486e+04    1.32410e+04    1.16729e+03   -3.19336e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75864e+03    9.20678e+04    4.00706e+05   -2.33808e+04   -2.97673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65971e+04   -2.44714e+06    4.77346e+05   -1.96979e+06    2.64017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09472e+02   -2.07191e+02   -3.88437e+00    5.33887e-06


DD  step 246939999 load imb.: force 14.9%  pme mesh/force 0.744
           Step           Time
      246940000   493880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79351e+03    1.96074e+04    1.29971e+04    1.17933e+03   -3.00844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73965e+03    9.24107e+04    4.01337e+05   -2.33814e+04   -2.97661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64878e+04   -2.44645e+06    4.79205e+05   -1.96724e+06    2.64023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10677e+02   -2.07202e+02    6.74418e+01    5.39987e-06


DD  step 246944999 load imb.: force 16.9%  pme mesh/force 0.740
           Step           Time
      246945000   493890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21400e+03    1.91490e+04    1.32431e+04    1.12925e+03   -3.08276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79801e+03    9.22033e+04    4.00797e+05   -2.34750e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65685e+04   -2.44750e+06    4.78237e+05   -1.96926e+06    2.64029e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10050e+02   -2.08862e+02    3.24117e+01    5.23784e-06


DD  step 246949999 load imb.: force 16.3%  pme mesh/force 0.735
           Step           Time
      246950000   493900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.44000e+03    1.92616e+04    1.33006e+04    1.19769e+03   -3.28186e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82864e+03    9.21914e+04    4.02961e+05   -2.34089e+04   -2.98151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64752e+04   -2.44954e+06    4.81287e+05   -1.96826e+06    2.64034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12027e+02   -2.07688e+02    5.62247e+01    5.32497e-06


DD  step 246954999 load imb.: force 17.0%  pme mesh/force 0.708
           Step           Time
      246955000   493910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06073e+03    1.96809e+04    1.30551e+04    1.17766e+03   -3.08529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83641e+03    9.27286e+04    4.00914e+05   -2.33850e+04   -2.97679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66225e+04   -2.44619e+06    4.81904e+05   -1.96428e+06    2.64040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12427e+02   -2.07266e+02    2.48002e+01    5.27753e-06


DD  step 246959999 load imb.: force 16.2%  pme mesh/force 0.736
           Step           Time
      246960000   493920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25447e+03    1.93130e+04    1.32774e+04    1.26737e+03   -3.09896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70523e+03    9.19256e+04    4.02077e+05   -2.34011e+04   -2.98039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64029e+04   -2.44967e+06    4.81733e+05   -1.96794e+06    2.64046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12316e+02   -2.07550e+02   -7.51801e+00    5.32399e-06


DD  step 246964999 load imb.: force 15.5%  pme mesh/force 0.706
           Step           Time
      246965000   493930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91642e+03    1.96347e+04    1.34111e+04    1.19629e+03   -3.13001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83898e+03    9.20934e+04    3.99333e+05   -2.34013e+04   -2.97641e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64755e+04   -2.44804e+06    4.81469e+05   -1.96657e+06    2.64051e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12145e+02   -2.07553e+02   -8.93941e+00    5.19932e-06


DD  step 246969999 load imb.: force 18.0%  pme mesh/force 0.749
           Step           Time
      246970000   493940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16973e+03    1.96886e+04    1.31862e+04    1.20378e+03   -3.18105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75294e+03    9.22529e+04    4.00675e+05   -2.33706e+04   -2.97482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65054e+04   -2.44494e+06    4.81466e+05   -1.96347e+06    2.64057e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12143e+02   -2.07011e+02    2.01808e+01    5.48909e-06


DD  step 246974999 load imb.: force 17.0%  pme mesh/force 0.737
           Step           Time
      246975000   493950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98690e+03    1.93597e+04    1.31089e+04    1.15419e+03   -3.17550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80953e+03    9.20887e+04    3.99881e+05   -2.33672e+04   -2.97565e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44742e+06    4.78109e+05   -1.96931e+06    2.64064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.06950e+02   -6.05168e+01    5.38488e-06


DD  step 246979999 load imb.: force 16.4%  pme mesh/force 0.725
           Step           Time
      246980000   493960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11807e+03    1.94960e+04    1.30755e+04    1.15318e+03   -3.08161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70321e+03    9.26297e+04    4.03329e+05   -2.33965e+04   -2.97962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64114e+04   -2.44719e+06    4.80621e+05   -1.96656e+06    2.64070e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11595e+02   -2.07469e+02    7.19040e+01    5.16012e-06


DD  step 246984999 load imb.: force 15.6%  pme mesh/force 0.720
           Step           Time
      246985000   493970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95313e+03    1.96285e+04    1.31943e+04    1.24767e+03   -3.04576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85996e+03    9.20509e+04    4.01317e+05   -2.34279e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64569e+04   -2.44818e+06    4.81161e+05   -1.96702e+06    2.64075e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11945e+02   -2.08025e+02    1.89182e+01    5.17197e-06


DD  step 246989999 load imb.: force 16.6%  pme mesh/force 0.731
           Step           Time
      246990000   493980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79555e+03    1.93892e+04    1.31949e+04    1.19939e+03   -3.18835e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84690e+03    9.29125e+04    3.97564e+05   -2.34356e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66315e+04   -2.44952e+06    4.80800e+05   -1.96872e+06    2.64081e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11711e+02   -2.08162e+02   -4.70493e+01    5.41578e-06


DD  step 246994999 load imb.: force 15.5%  pme mesh/force 0.713
           Step           Time
      246995000   493990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96293e+03    1.93670e+04    1.33308e+04    1.22037e+03   -3.26293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.05000e+03    9.25143e+04    3.99095e+05   -2.33668e+04   -2.97664e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64225e+04   -2.44830e+06    4.80970e+05   -1.96733e+06    2.64087e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11821e+02   -2.06942e+02   -3.82695e+00    5.35243e-06


DD  step 246999999 load imb.: force 15.3%  pme mesh/force 0.689
           Step           Time
      247000000   494000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98471e+03    1.94800e+04    1.31844e+04    1.22286e+03   -3.24268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94838e+03    9.22987e+04    3.99094e+05   -2.33628e+04   -2.97389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65360e+04   -2.44575e+06    4.79906e+05   -1.96584e+06    2.64093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.06872e+02   -5.44308e+00    5.47948e-06


DD  step 247004999 load imb.: force 14.9%  pme mesh/force 0.727
           Step           Time
      247005000   494010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83201e+03    1.91144e+04    1.33002e+04    1.18609e+03   -3.13334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82118e+03    9.26697e+04    3.99513e+05   -2.33582e+04   -2.97630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63779e+04   -2.44798e+06    4.78503e+05   -1.96947e+06    2.64098e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10222e+02   -2.06790e+02   -1.41103e+01    5.26858e-06


DD  step 247009999 load imb.: force 15.9%  pme mesh/force 0.705
           Step           Time
      247010000   494020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95124e+03    1.94700e+04    1.33416e+04    1.19096e+03   -3.27379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91048e+03    9.23782e+04    4.00497e+05   -2.33934e+04   -2.97964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65495e+04   -2.45002e+06    4.77801e+05   -1.97222e+06    2.64105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09767e+02   -2.07414e+02   -6.91608e+00    5.34934e-06


DD  step 247014999 load imb.: force 16.5%  pme mesh/force 0.705
           Step           Time
      247015000   494030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19013e+03    1.94578e+04    1.31394e+04    1.21606e+03   -3.02308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84481e+03    9.19365e+04    4.03114e+05   -2.34062e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66086e+04   -2.44546e+06    4.82174e+05   -1.96329e+06    2.64111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12602e+02   -2.07640e+02    9.09556e+01    5.39245e-06


DD  step 247019999 load imb.: force 15.7%  pme mesh/force 0.720
           Step           Time
      247020000   494040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07321e+03    1.94123e+04    1.33336e+04    1.23700e+03   -3.17396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79158e+03    9.23886e+04    4.01841e+05   -2.33822e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64323e+04   -2.44687e+06    4.80022e+05   -1.96685e+06    2.64116e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11207e+02   -2.07216e+02    3.06399e+01    5.25096e-06


DD  step 247024999 load imb.: force 15.6%  pme mesh/force 0.725
           Step           Time
      247025000   494050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24087e+03    1.94438e+04    1.31830e+04    1.22563e+03   -3.15435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87272e+03    9.19998e+04    4.00449e+05   -2.33508e+04   -2.97488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66221e+04   -2.44535e+06    4.80319e+05   -1.96503e+06    2.64123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.06660e+02    1.53735e+01    5.25366e-06


DD  step 247029999 load imb.: force 16.0%  pme mesh/force 0.765
           Step           Time
      247030000   494060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94260e+03    1.95231e+04    1.30401e+04    1.16990e+03   -3.07100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87497e+03    9.22501e+04    4.03374e+05   -2.34373e+04   -2.98231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63320e+04   -2.45031e+06    4.78261e+05   -1.97205e+06    2.64129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10065e+02   -2.08193e+02    1.04920e+02    5.18318e-06


DD  step 247034999 load imb.: force 14.9%  pme mesh/force 0.716
           Step           Time
      247035000   494070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17584e+03    1.92034e+04    1.32633e+04    1.10188e+03   -3.11259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86715e+03    9.19968e+04    4.02552e+05   -2.33643e+04   -2.97941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65878e+04   -2.44814e+06    4.80973e+05   -1.96716e+06    2.64134e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11823e+02   -2.06899e+02   -3.34277e+00    5.34629e-06


DD  step 247039999 load imb.: force 15.1%  pme mesh/force 0.723
           Step           Time
      247040000   494080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17047e+03    1.93613e+04    1.29881e+04    1.19846e+03   -3.08275e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82352e+03    9.23525e+04    4.05272e+05   -2.33817e+04   -2.98073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63935e+04   -2.44663e+06    4.79646e+05   -1.96699e+06    2.64140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10963e+02   -2.07207e+02    1.62968e+02    5.29143e-06


DD  step 247044999 load imb.: force 15.6%  pme mesh/force 0.724
           Step           Time
      247045000   494090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90879e+03    1.97100e+04    1.31552e+04    1.24882e+03   -3.23112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00104e+03    9.23844e+04    4.01145e+05   -2.33733e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65948e+04   -2.44633e+06    4.79677e+05   -1.96665e+06    2.64146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10983e+02   -2.07058e+02    1.44385e+01    5.24837e-06


DD  step 247049999 load imb.: force 16.3%  pme mesh/force 0.745
           Step           Time
      247050000   494100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14584e+03    1.96086e+04    1.31655e+04    1.10620e+03   -3.07872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99629e+03    9.24111e+04    4.01479e+05   -2.34018e+04   -2.97817e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62842e+04   -2.44746e+06    4.80460e+05   -1.96700e+06    2.64151e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11491e+02   -2.07563e+02    8.10470e+01    5.28417e-06


DD  step 247054999 load imb.: force 15.7%  pme mesh/force 0.715
           Step           Time
      247055000   494110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08261e+03    1.94878e+04    1.31588e+04    1.16119e+03   -3.14911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82226e+03    9.20010e+04    3.97344e+05   -2.33299e+04   -2.97147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65162e+04   -2.44537e+06    4.78717e+05   -1.96666e+06    2.64157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10361e+02   -2.06291e+02   -7.94574e+01    5.21221e-06


DD  step 247059999 load imb.: force 15.9%  pme mesh/force 0.743
           Step           Time
      247060000   494120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06565e+03    1.94074e+04    1.31104e+04    1.14978e+03   -3.13065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84570e+03    9.19022e+04    4.02167e+05   -2.33737e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66262e+04   -2.44732e+06    4.79749e+05   -1.96757e+06    2.64163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.07065e+02    4.53795e+01    5.32998e-06


DD  step 247064999 load imb.: force 14.0%  pme mesh/force 0.739
           Step           Time
      247065000   494130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14959e+03    1.92924e+04    1.30859e+04    1.24124e+03   -3.09295e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00559e+03    9.22955e+04    4.00612e+05   -2.34164e+04   -2.97618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65206e+04   -2.44649e+06    4.78736e+05   -1.96775e+06    2.64170e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.07822e+02    1.12617e+01    5.10328e-06


DD  step 247069999 load imb.: force 15.0%  pme mesh/force 0.713
           Step           Time
      247070000   494140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22438e+03    1.89407e+04    1.30844e+04    1.27780e+03   -2.86332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78741e+03    9.27067e+04    4.00511e+05   -2.33478e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65276e+04   -2.44687e+06    4.80648e+05   -1.96622e+06    2.64175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11613e+02   -2.06607e+02   -4.73776e+01    5.34645e-06


DD  step 247074999 load imb.: force 16.8%  pme mesh/force 0.753
           Step           Time
      247075000   494150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85314e+03    1.98416e+04    1.31479e+04    1.19305e+03   -3.05841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92137e+03    9.24797e+04    3.95626e+05   -2.33127e+04   -2.96743e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65923e+04   -2.44215e+06    4.80101e+05   -1.96205e+06    2.64181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11258e+02   -2.05987e+02   -7.72369e+01    5.18866e-06


DD  step 247079999 load imb.: force 14.8%  pme mesh/force 0.706
           Step           Time
      247080000   494160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24950e+03    1.96738e+04    1.32792e+04    1.15633e+03   -3.11887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83350e+03    9.22677e+04    3.96803e+05   -2.33659e+04   -2.96874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67492e+04   -2.44221e+06    4.79980e+05   -1.96223e+06    2.64187e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11180e+02   -2.06927e+02   -7.91894e+01    5.39524e-06


DD  step 247084999 load imb.: force 16.0%  pme mesh/force 0.744
           Step           Time
      247085000   494170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92461e+03    1.91105e+04    1.33116e+04    1.16727e+03   -3.03130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92138e+03    9.20191e+04    3.97854e+05   -2.33534e+04   -2.97057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63349e+04   -2.44431e+06    4.79698e+05   -1.96461e+06    2.64191e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10996e+02   -2.06706e+02   -4.23013e+01    5.43365e-06


DD  step 247089999 load imb.: force 15.1%  pme mesh/force 0.727
           Step           Time
      247090000   494180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95911e+03    1.99919e+04    1.31511e+04    1.15689e+03   -3.06669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80797e+03    9.21186e+04    4.00119e+05   -2.33646e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66462e+04   -2.44420e+06    4.79825e+05   -1.96437e+06    2.64198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11079e+02   -2.06904e+02    6.89087e+01    5.37275e-06


DD  step 247094999 load imb.: force 14.8%  pme mesh/force 0.722
           Step           Time
      247095000   494190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11478e+03    1.92521e+04    1.30913e+04    1.12538e+03   -3.21616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81475e+03    9.26717e+04    3.98996e+05   -2.33494e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65314e+04   -2.44687e+06    4.79758e+05   -1.96711e+06    2.64203e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11036e+02   -2.06635e+02   -6.37034e+01    5.31932e-06


DD  step 247099999 load imb.: force 15.8%  pme mesh/force 0.739
           Step           Time
      247100000   494200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20369e+03    1.90232e+04    1.30469e+04    1.16108e+03   -3.07098e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88677e+03    9.29256e+04    4.01019e+05   -2.34085e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65659e+04   -2.44680e+06    4.78517e+05   -1.96828e+06    2.64210e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10231e+02   -2.07681e+02    6.01385e+01    5.36127e-06


DD  step 247104999 load imb.: force 15.1%  pme mesh/force 0.736
           Step           Time
      247105000   494210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12852e+03    1.96155e+04    1.32246e+04    1.20307e+03   -3.14599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71568e+03    9.23186e+04    4.04804e+05   -2.33787e+04   -2.98251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64521e+04   -2.44858e+06    4.80747e+05   -1.96783e+06    2.64215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11677e+02   -2.07154e+02    7.46741e+01    5.38363e-06


DD  step 247109999 load imb.: force 15.0%  pme mesh/force 0.759
           Step           Time
      247110000   494220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08179e+03    1.96298e+04    1.30589e+04    1.12791e+03   -2.99640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81629e+03    9.19326e+04    3.97311e+05   -2.33667e+04   -2.97154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65322e+04   -2.44541e+06    4.78338e+05   -1.96708e+06    2.64221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10115e+02   -2.06942e+02   -8.62363e+01    5.12841e-06


DD  step 247114999 load imb.: force 16.4%  pme mesh/force 0.740
           Step           Time
      247115000   494230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78912e+03    1.93547e+04    1.29472e+04    1.23256e+03   -3.07725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.04041e+03    9.27271e+04    4.01440e+05   -2.34071e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65818e+04   -2.44737e+06    4.79985e+05   -1.96738e+06    2.64227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11183e+02   -2.07656e+02    1.09320e+02    5.49767e-06


DD  step 247119999 load imb.: force 15.2%  pme mesh/force 0.748
           Step           Time
      247120000   494240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91464e+03    1.94419e+04    1.32666e+04    1.20309e+03   -3.11133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88915e+03    9.27089e+04    3.97615e+05   -2.33804e+04   -2.97279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66421e+04   -2.44560e+06    4.79364e+05   -1.96623e+06    2.64233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10781e+02   -2.07185e+02   -4.29592e+01    5.55058e-06

Writing checkpoint, step 247124050 at Wed Nov  8 15:46:28 2023



DD  step 247124999 load imb.: force 15.5%  pme mesh/force 0.727
           Step           Time
      247125000   494250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24257e+03    1.98249e+04    1.32333e+04    1.17020e+03   -3.25294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82068e+03    9.20694e+04    3.99811e+05   -2.34107e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65508e+04   -2.44752e+06    4.81465e+05   -1.96605e+06    2.64239e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12142e+02   -2.07721e+02   -2.19901e+00    5.28993e-06


DD  step 247129999 load imb.: force 16.0%  pme mesh/force 0.754
           Step           Time
      247130000   494260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99579e+03    1.89572e+04    1.30351e+04    1.16613e+03   -3.09490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87783e+03    9.23561e+04    3.97960e+05   -2.33840e+04   -2.97490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64940e+04   -2.44854e+06    4.77323e+05   -1.97122e+06    2.64245e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09457e+02   -2.07247e+02   -7.62269e+01    5.33800e-06


DD  step 247134999 load imb.: force 14.1%  pme mesh/force 0.730
           Step           Time
      247135000   494270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15379e+03    1.97144e+04    1.32509e+04    1.23841e+03   -3.06743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70432e+03    9.23272e+04    3.99957e+05   -2.33131e+04   -2.97592e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65252e+04   -2.44643e+06    4.80955e+05   -1.96547e+06    2.64250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11811e+02   -2.05994e+02   -7.72244e+01    5.15253e-06


DD  step 247139999 load imb.: force 14.6%  pme mesh/force 0.711
           Step           Time
      247140000   494280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98608e+03    1.93495e+04    1.31461e+04    1.17546e+03   -3.17664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87870e+03    9.23166e+04    4.03144e+05   -2.34083e+04   -2.98110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65536e+04   -2.44913e+06    4.78994e+05   -1.97014e+06    2.64256e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10540e+02   -2.07678e+02    4.88766e+01    5.28232e-06


DD  step 247144999 load imb.: force 15.4%  pme mesh/force 0.706
           Step           Time
      247145000   494290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90938e+03    1.90878e+04    1.32652e+04    1.18642e+03   -3.10671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85318e+03    9.20157e+04    4.00447e+05   -2.34216e+04   -2.97779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67059e+04   -2.44885e+06    4.79419e+05   -1.96943e+06    2.64262e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10816e+02   -2.07915e+02    6.83323e+01    5.11947e-06


DD  step 247149999 load imb.: force 18.3%  pme mesh/force 0.765
           Step           Time
      247150000   494300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01165e+03    1.95145e+04    1.29385e+04    1.18403e+03   -2.96473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83054e+03    9.21663e+04    4.01756e+05   -2.33932e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65968e+04   -2.45019e+06    4.79811e+05   -1.97038e+06    2.64268e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11070e+02   -2.07411e+02    1.04423e+01    5.12024e-06


DD  step 247154999 load imb.: force 14.5%  pme mesh/force 0.745
           Step           Time
      247155000   494310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18706e+03    1.91617e+04    1.31537e+04    1.13697e+03   -3.06981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92242e+03    9.21045e+04    4.01733e+05   -2.33545e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65319e+04   -2.44499e+06    4.81362e+05   -1.96362e+06    2.64274e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12076e+02   -2.06726e+02    7.17057e+01    5.32391e-06


DD  step 247159999 load imb.: force 16.0%  pme mesh/force 0.734
           Step           Time
      247160000   494320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71566e+03    1.91282e+04    1.31348e+04    1.19433e+03   -2.93303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89165e+03    9.29305e+04    4.00144e+05   -2.34130e+04   -2.97792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61746e+04   -2.44895e+06    4.79780e+05   -1.96917e+06    2.64279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.07761e+02   -6.56197e+00    5.27460e-06


DD  step 247164999 load imb.: force 15.2%  pme mesh/force 0.735
           Step           Time
      247165000   494330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02956e+03    1.91880e+04    1.32454e+04    1.18669e+03   -3.06021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97289e+03    9.23542e+04    3.97313e+05   -2.33561e+04   -2.97211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66150e+04   -2.44562e+06    4.78901e+05   -1.96672e+06    2.64286e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10480e+02   -2.06755e+02   -7.48443e+01    5.11414e-06


DD  step 247169999 load imb.: force 16.2%  pme mesh/force 0.767
           Step           Time
      247170000   494340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80905e+03    1.95069e+04    1.30293e+04    1.15236e+03   -2.92844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87125e+03    9.23448e+04    4.01902e+05   -2.33702e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65475e+04   -2.44685e+06    4.77580e+05   -1.96927e+06    2.64292e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09623e+02   -2.07004e+02    2.84188e+01    5.20146e-06


DD  step 247174999 load imb.: force 15.8%  pme mesh/force 0.715
           Step           Time
      247175000   494350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94185e+03    1.94410e+04    1.28510e+04    1.08850e+03   -3.03268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91614e+03    9.27055e+04    4.04114e+05   -2.33921e+04   -2.98093e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65686e+04   -2.44772e+06    4.78363e+05   -1.96936e+06    2.64297e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10132e+02   -2.07391e+02    1.10224e+02    5.30035e-06


DD  step 247179999 load imb.: force 15.0%  pme mesh/force 0.733
           Step           Time
      247180000   494360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11931e+03    1.94916e+04    1.32217e+04    1.16307e+03   -2.94442e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77851e+03    9.23213e+04    3.99877e+05   -2.33336e+04   -2.97499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66160e+04   -2.44568e+06    4.79975e+05   -1.96570e+06    2.64303e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11176e+02   -2.06356e+02   -1.06913e+02    5.20790e-06


DD  step 247184999 load imb.: force 15.5%  pme mesh/force 0.723
           Step           Time
      247185000   494370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.39520e+03    1.90063e+04    1.30141e+04    1.19368e+03   -2.98389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95238e+03    9.27820e+04    4.00521e+05   -2.33384e+04   -2.97682e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67547e+04   -2.44652e+06    4.79674e+05   -1.96685e+06    2.64309e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10981e+02   -2.06441e+02   -9.10426e+00    5.23390e-06


DD  step 247189999 load imb.: force 16.0%  pme mesh/force 0.737
           Step           Time
      247190000   494380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09570e+03    1.94960e+04    1.31639e+04    1.26270e+03   -3.02498e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84605e+03    9.21922e+04    4.00326e+05   -2.33212e+04   -2.97512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65068e+04   -2.44557e+06    4.79451e+05   -1.96612e+06    2.64315e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10836e+02   -2.06138e+02   -2.19638e+01    5.21831e-06


DD  step 247194999 load imb.: force 17.0%  pme mesh/force 0.735
           Step           Time
      247195000   494390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98628e+03    1.95897e+04    1.31401e+04    1.18127e+03   -3.10787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88370e+03    9.22834e+04    3.98937e+05   -2.33828e+04   -2.97404e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66446e+04   -2.44588e+06    4.81357e+05   -1.96453e+06    2.64320e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12072e+02   -2.07227e+02   -1.72709e+01    5.37006e-06


DD  step 247199999 load imb.: force 15.4%  pme mesh/force 0.741
           Step           Time
      247200000   494400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01845e+03    1.91475e+04    1.31609e+04    1.12802e+03   -3.04797e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81036e+03    9.23962e+04    4.00623e+05   -2.33837e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66258e+04   -2.44706e+06    4.77919e+05   -1.96914e+06    2.64326e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09843e+02   -2.07242e+02    1.53155e+01    5.26138e-06


DD  step 247204999 load imb.: force 16.5%  pme mesh/force 0.725
           Step           Time
      247205000   494410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92269e+03    1.91749e+04    1.30889e+04    1.24669e+03   -3.02622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89867e+03    9.24619e+04    4.04683e+05   -2.33995e+04   -2.98062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63244e+04   -2.44725e+06    4.80597e+05   -1.96665e+06    2.64332e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11579e+02   -2.07521e+02    1.20234e+02    5.22301e-06


DD  step 247209999 load imb.: force 15.9%  pme mesh/force 0.704
           Step           Time
      247210000   494420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83069e+03    1.93280e+04    1.30691e+04    1.18613e+03   -3.03076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79629e+03    9.24178e+04    4.00467e+05   -2.33725e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66408e+04   -2.44797e+06    4.80574e+05   -1.96739e+06    2.64337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11565e+02   -2.07045e+02   -1.99780e+01    5.44941e-06


DD  step 247214999 load imb.: force 16.1%  pme mesh/force 0.745
           Step           Time
      247215000   494430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75354e+03    1.91392e+04    1.28450e+04    1.23055e+03   -3.10906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02428e+03    9.28053e+04    4.04574e+05   -2.34237e+04   -2.98385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63747e+04   -2.45064e+06    4.77517e+05   -1.97312e+06    2.64343e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09583e+02   -2.07951e+02    1.70558e+02    5.08554e-06


DD  step 247219999 load imb.: force 16.1%  pme mesh/force 0.755
           Step           Time
      247220000   494440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92900e+03    1.94693e+04    1.31278e+04    1.25878e+03   -3.00227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89101e+03    9.26865e+04    3.99607e+05   -2.33672e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66169e+04   -2.44773e+06    4.79982e+05   -1.96775e+06    2.64349e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11181e+02   -2.06951e+02   -4.55982e+01    5.36338e-06


DD  step 247224999 load imb.: force 15.2%  pme mesh/force 0.713
           Step           Time
      247225000   494450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92480e+03    1.92849e+04    1.29738e+04    1.21891e+03   -3.01482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99994e+03    9.30667e+04    3.98003e+05   -2.33892e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62960e+04   -2.44748e+06    4.79736e+05   -1.96774e+06    2.64355e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11021e+02   -2.07340e+02   -5.11584e+01    5.15036e-06


DD  step 247229999 load imb.: force 14.8%  pme mesh/force 0.738
           Step           Time
      247230000   494460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93411e+03    1.95530e+04    1.30988e+04    1.23416e+03   -3.01826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77351e+03    9.25490e+04    4.03103e+05   -2.34328e+04   -2.98195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64495e+04   -2.44970e+06    4.78420e+05   -1.97128e+06    2.64361e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.08112e+02    7.58873e+01    5.16729e-06


DD  step 247234999 load imb.: force 16.5%  pme mesh/force 0.752
           Step           Time
      247235000   494470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11747e+03    1.93649e+04    1.30797e+04    1.13908e+03   -2.98114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84119e+03    9.28828e+04    3.97479e+05   -2.33348e+04   -2.97328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64885e+04   -2.44621e+06    4.76962e+05   -1.96925e+06    2.64367e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09223e+02   -2.06377e+02   -1.67593e+02    5.10024e-06


DD  step 247239999 load imb.: force 14.0%  pme mesh/force 0.707
           Step           Time
      247240000   494480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09127e+03    1.89644e+04    1.30904e+04    1.19897e+03   -3.09607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74107e+03    9.29166e+04    3.99216e+05   -2.33913e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65137e+04   -2.44976e+06    4.77624e+05   -1.97214e+06    2.64372e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09652e+02   -2.07376e+02   -5.58601e+01    5.12695e-06


DD  step 247244999 load imb.: force 14.7%  pme mesh/force 0.724
           Step           Time
      247245000   494490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07811e+03    1.95005e+04    1.30834e+04    1.13540e+03   -3.04718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75823e+03    9.26579e+04    4.02881e+05   -2.34347e+04   -2.98087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65005e+04   -2.44876e+06    4.78544e+05   -1.97021e+06    2.64379e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10249e+02   -2.08146e+02    5.14117e+01    5.21610e-06


DD  step 247249999 load imb.: force 15.6%  pme mesh/force 0.730
           Step           Time
      247250000   494500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14137e+03    1.93522e+04    1.29991e+04    1.11905e+03   -3.05047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96234e+03    9.29867e+04    4.01242e+05   -2.33938e+04   -2.97624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65529e+04   -2.44533e+06    4.78798e+05   -1.96653e+06    2.64385e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10413e+02   -2.07421e+02    5.62575e+01    5.04228e-06


DD  step 247254999 load imb.: force 15.1%  pme mesh/force 0.708
           Step           Time
      247255000   494510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10298e+03    1.94089e+04    1.31982e+04    1.16621e+03   -3.14058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80115e+03    9.26357e+04    3.97150e+05   -2.33491e+04   -2.97039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63584e+04   -2.44406e+06    4.78123e+05   -1.96594e+06    2.64390e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09976e+02   -2.06631e+02   -5.93668e+01    5.06298e-06


DD  step 247259999 load imb.: force 13.6%  pme mesh/force 0.694
           Step           Time
      247260000   494520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84790e+03    1.94570e+04    1.31993e+04    1.09368e+03   -3.16877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82921e+03    9.30213e+04    4.00822e+05   -2.34120e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64192e+04   -2.44817e+06    4.78359e+05   -1.96981e+06    2.64396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10129e+02   -2.07743e+02    3.62026e+01    5.21412e-06


DD  step 247264999 load imb.: force 15.3%  pme mesh/force 0.722
           Step           Time
      247265000   494530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92580e+03    1.94782e+04    1.31433e+04    1.23732e+03   -3.01704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69666e+03    9.28245e+04    4.02248e+05   -2.34104e+04   -2.97972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64998e+04   -2.44809e+06    4.81136e+05   -1.96695e+06    2.64402e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11929e+02   -2.07714e+02    3.47618e+01    5.15850e-06


DD  step 247269999 load imb.: force 14.5%  pme mesh/force 0.707
           Step           Time
      247270000   494540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95421e+03    1.94975e+04    1.31066e+04    1.25025e+03   -3.00610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89781e+03    9.27984e+04    4.02413e+05   -2.33645e+04   -2.97911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64369e+04   -2.44713e+06    4.79525e+05   -1.96760e+06    2.64408e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.06902e+02    5.85361e+01    5.16592e-06


DD  step 247274999 load imb.: force 15.6%  pme mesh/force 0.737
           Step           Time
      247275000   494550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88985e+03    1.94127e+04    1.32673e+04    1.15500e+03   -3.16659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91877e+03    9.29182e+04    4.02801e+05   -2.33777e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63567e+04   -2.44721e+06    4.80540e+05   -1.96667e+06    2.64413e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11543e+02   -2.07135e+02    8.55163e+01    5.35398e-06


DD  step 247279999 load imb.: force 13.0%  pme mesh/force 0.711
           Step           Time
      247280000   494560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29342e+03    1.96389e+04    1.31298e+04    1.20065e+03   -3.08366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72752e+03    9.26105e+04    3.98936e+05   -2.33383e+04   -2.97455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64079e+04   -2.44602e+06    4.78686e+05   -1.96734e+06    2.64420e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.06439e+02   -7.76777e+01    5.17006e-06


DD  step 247284999 load imb.: force 15.2%  pme mesh/force 0.740
           Step           Time
      247285000   494570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.70821e+03    1.93467e+04    1.31168e+04    1.27350e+03   -3.12067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77150e+03    9.25544e+04    3.99591e+05   -2.33633e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62583e+04   -2.45042e+06    4.78017e+05   -1.97241e+06    2.64425e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09907e+02   -2.06882e+02   -3.48861e+01    5.42270e-06


DD  step 247289999 load imb.: force 12.6%  pme mesh/force 0.741
           Step           Time
      247290000   494580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32967e+03    1.94405e+04    1.32143e+04    1.13288e+03   -3.05852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85737e+03    9.26453e+04    3.96827e+05   -2.33509e+04   -2.97112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65951e+04   -2.44449e+06    4.79984e+05   -1.96451e+06    2.64431e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.06662e+02   -1.33944e+02    5.26288e-06


DD  step 247294999 load imb.: force 15.0%  pme mesh/force 0.727
           Step           Time
      247295000   494590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99326e+03    1.95447e+04    1.29997e+04    1.10733e+03   -3.20052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74536e+03    9.28874e+04    4.01528e+05   -2.34447e+04   -2.98086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63482e+04   -2.45035e+06    4.79183e+05   -1.97116e+06    2.64436e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.08323e+02    2.87415e+00    5.42058e-06


DD  step 247299999 load imb.: force 13.9%  pme mesh/force 0.708
           Step           Time
      247300000   494600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17551e+03    1.96638e+04    1.31961e+04    1.14612e+03   -3.17076e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87426e+03    9.21307e+04    3.97179e+05   -2.33492e+04   -2.97109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67403e+04   -2.44451e+06    4.81799e+05   -1.96271e+06    2.64442e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12359e+02   -2.06632e+02   -9.81457e+01    5.41398e-06


DD  step 247304999 load imb.: force 16.7%  pme mesh/force 0.735
           Step           Time
      247305000   494610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.38656e+03    1.98786e+04    1.29968e+04    1.30187e+03   -3.05392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87736e+03    9.24875e+04    3.99188e+05   -2.33663e+04   -2.97343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66872e+04   -2.44405e+06    4.81083e+05   -1.96297e+06    2.64448e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11895e+02   -2.06934e+02    1.86203e+01    5.20054e-06


DD  step 247309999 load imb.: force 14.5%  pme mesh/force 0.694
           Step           Time
      247310000   494620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12251e+03    1.94146e+04    1.30462e+04    1.18483e+03   -3.11848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78273e+03    9.28213e+04    4.01464e+05   -2.33895e+04   -2.97980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65052e+04   -2.44897e+06    4.79454e+05   -1.96951e+06    2.64454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.07345e+02    4.69692e+01    5.16678e-06


DD  step 247314999 load imb.: force 14.1%  pme mesh/force 0.734
           Step           Time
      247315000   494630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.71422e+03    1.95345e+04    1.29073e+04    1.15923e+03   -2.99678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82436e+03    9.27071e+04    3.97368e+05   -2.33966e+04   -2.97194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62775e+04   -2.44584e+06    4.81330e+05   -1.96451e+06    2.64459e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12055e+02   -2.07471e+02   -7.69371e+00    5.31995e-06


DD  step 247319999 load imb.: force 14.4%  pme mesh/force 0.714
           Step           Time
      247320000   494640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92771e+03    1.98419e+04    1.29068e+04    1.12851e+03   -3.16217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84720e+03    9.25246e+04    3.97348e+05   -2.33903e+04   -2.97062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65222e+04   -2.44413e+06    4.80943e+05   -1.96318e+06    2.64465e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11804e+02   -2.07358e+02   -3.70150e+01    5.38326e-06


DD  step 247324999 load imb.: force 18.1%  pme mesh/force 0.729
           Step           Time
      247325000   494650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19462e+03    1.94720e+04    1.31738e+04    1.11717e+03   -3.09221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80022e+03    9.26517e+04    3.98562e+05   -2.33607e+04   -2.97350e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65341e+04   -2.44545e+06    4.78704e+05   -1.96674e+06    2.64471e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10352e+02   -2.06835e+02   -8.85605e+01    5.41492e-06


DD  step 247329999 load imb.: force 17.6%  pme mesh/force 0.771
           Step           Time
      247330000   494660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02738e+03    1.97786e+04    1.31943e+04    1.15330e+03   -3.12680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82021e+03    9.19315e+04    4.02668e+05   -2.34205e+04   -2.97958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63880e+04   -2.44817e+06    4.79869e+05   -1.96830e+06    2.64477e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11107e+02   -2.07894e+02    7.28156e+01    5.12993e-06


DD  step 247334999 load imb.: force 16.9%  pme mesh/force 0.740
           Step           Time
      247335000   494670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98202e+03    1.98486e+04    1.29977e+04    1.19766e+03   -3.14446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92862e+03    9.27943e+04    4.00484e+05   -2.34035e+04   -2.97552e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66104e+04   -2.44522e+06    4.79183e+05   -1.96604e+06    2.64483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10663e+02   -2.07593e+02    3.66040e+01    5.56758e-06


DD  step 247339999 load imb.: force 19.1%  pme mesh/force 0.804
           Step           Time
      247340000   494680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10240e+03    1.95380e+04    1.30256e+04    1.19748e+03   -3.05647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78344e+03    9.21667e+04    3.99249e+05   -2.34054e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63009e+04   -2.44869e+06    4.78354e+05   -1.97033e+06    2.64488e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10126e+02   -2.07626e+02   -4.43799e+01    5.29646e-06


DD  step 247344999 load imb.: force 15.5%  pme mesh/force 0.751
           Step           Time
      247345000   494690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04697e+03    1.96084e+04    1.31038e+04    1.21805e+03   -3.20334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77349e+03    9.25217e+04    4.02627e+05   -2.33364e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64553e+04   -2.44584e+06    4.76657e+05   -1.96918e+06    2.64495e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09025e+02   -2.06407e+02   -1.01087e+01    5.28996e-06


DD  step 247349999 load imb.: force 16.4%  pme mesh/force 0.723
           Step           Time
      247350000   494700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96427e+03    1.92271e+04    1.32756e+04    1.23031e+03   -3.11222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82783e+03    9.21899e+04    4.00315e+05   -2.33515e+04   -2.97931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63935e+04   -2.45035e+06    4.77796e+05   -1.97255e+06    2.64500e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09764e+02   -2.06673e+02   -8.73094e+01    5.45448e-06


DD  step 247354999 load imb.: force 15.8%  pme mesh/force 0.736
           Step           Time
      247355000   494710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97638e+03    1.92535e+04    1.31470e+04    1.12414e+03   -3.08346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80680e+03    9.28392e+04    4.00027e+05   -2.33758e+04   -2.97665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66110e+04   -2.44733e+06    4.76763e+05   -1.97056e+06    2.64506e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09094e+02   -2.07103e+02   -2.37512e+01    5.29632e-06


DD  step 247359999 load imb.: force 15.8%  pme mesh/force 0.721
           Step           Time
      247360000   494720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04220e+03    1.93894e+04    1.31252e+04    1.13544e+03   -3.10250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87554e+03    9.25516e+04    4.00634e+05   -2.33604e+04   -2.97591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67001e+04   -2.44592e+06    4.79290e+05   -1.96663e+06    2.64512e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10733e+02   -2.06830e+02   -4.37801e+01    5.34875e-06


DD  step 247364999 load imb.: force 14.7%  pme mesh/force 0.730
           Step           Time
      247365000   494730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13431e+03    1.91608e+04    1.29398e+04    1.16586e+03   -3.06969e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87436e+03    9.26557e+04    4.01435e+05   -2.34447e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64997e+04   -2.44883e+06    4.80986e+05   -1.96785e+06    2.64518e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11832e+02   -2.08324e+02    3.22600e+01    5.29945e-06


DD  step 247369999 load imb.: force 15.2%  pme mesh/force 0.737
           Step           Time
      247370000   494740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05262e+03    1.93060e+04    1.31050e+04    1.19497e+03   -3.14591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91110e+03    9.27309e+04    3.99340e+05   -2.34178e+04   -2.97558e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65547e+04   -2.44695e+06    4.77431e+05   -1.96952e+06    2.64523e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09527e+02   -2.07847e+02    3.01769e+01    5.40871e-06


DD  step 247374999 load imb.: force 15.7%  pme mesh/force 0.734
           Step           Time
      247375000   494750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79497e+03    1.92277e+04    1.31462e+04    1.20168e+03   -3.10916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86786e+03    9.24118e+04    4.01997e+05   -2.33691e+04   -2.97953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64332e+04   -2.44893e+06    4.78694e+05   -1.97024e+06    2.64529e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10346e+02   -2.06985e+02    4.13147e+01    5.30095e-06


DD  step 247379999 load imb.: force 14.8%  pme mesh/force 0.724
           Step           Time
      247380000   494760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83923e+03    1.95423e+04    1.29828e+04    1.12834e+03   -3.11874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79483e+03    9.26490e+04    4.00332e+05   -2.33894e+04   -2.97655e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64755e+04   -2.44732e+06    4.78211e+05   -1.96910e+06    2.64535e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10033e+02   -2.07343e+02    3.22562e+00    5.32953e-06


DD  step 247384999 load imb.: force 15.3%  pme mesh/force 0.743
           Step           Time
      247385000   494770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07766e+03    1.94573e+04    1.32572e+04    1.16284e+03   -3.02940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87571e+03    9.23684e+04    4.02027e+05   -2.33612e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65884e+04   -2.44520e+06    4.79692e+05   -1.96551e+06    2.64541e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.06843e+02    6.30614e+01    5.13082e-06


DD  step 247389999 load imb.: force 13.1%  pme mesh/force 0.713
           Step           Time
      247390000   494780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01554e+03    1.93836e+04    1.29683e+04    1.20253e+03   -3.09639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83220e+03    9.20874e+04    4.02814e+05   -2.33581e+04   -2.97900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64378e+04   -2.44771e+06    4.79712e+05   -1.96800e+06    2.64547e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11006e+02   -2.06788e+02    2.32393e+01    5.34049e-06


DD  step 247394999 load imb.: force 16.3%  pme mesh/force 0.746
           Step           Time
      247395000   494790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97651e+03    1.94887e+04    1.28686e+04    1.04261e+03   -3.06743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94847e+03    9.19759e+04    4.00950e+05   -2.34031e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65195e+04   -2.44903e+06    4.78858e+05   -1.97017e+06    2.64553e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10452e+02   -2.07586e+02    2.72726e+01    5.32750e-06


DD  step 247399999 load imb.: force 14.5%  pme mesh/force 0.722
           Step           Time
      247400000   494800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12976e+03    1.93138e+04    1.31389e+04    1.23381e+03   -3.07996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85685e+03    9.22338e+04    4.02851e+05   -2.33965e+04   -2.97917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65698e+04   -2.44732e+06    4.79764e+05   -1.96755e+06    2.64559e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11039e+02   -2.07469e+02    1.19670e+02    5.33177e-06


DD  step 247404999 load imb.: force 16.2%  pme mesh/force 0.747
           Step           Time
      247405000   494810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21968e+03    1.91733e+04    1.30967e+04    1.22920e+03   -3.01500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94903e+03    9.17553e+04    4.02225e+05   -2.33887e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63905e+04   -2.44874e+06    4.80642e+05   -1.96810e+06    2.64564e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11609e+02   -2.07332e+02    6.01109e+01    5.25162e-06


DD  step 247409999 load imb.: force 14.9%  pme mesh/force 0.743
           Step           Time
      247410000   494820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93971e+03    1.89849e+04    1.30073e+04    1.12387e+03   -3.04417e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84880e+03    9.26386e+04    3.98584e+05   -2.34265e+04   -2.97470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63704e+04   -2.44768e+06    4.79021e+05   -1.96865e+06    2.64570e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.08001e+02   -4.17088e+01    5.36762e-06


DD  step 247414999 load imb.: force 15.4%  pme mesh/force 0.715
           Step           Time
      247415000   494830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19865e+03    1.92303e+04    1.30732e+04    1.17462e+03   -3.08373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85651e+03    9.22027e+04    4.01521e+05   -2.33929e+04   -2.97901e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64158e+04   -2.44882e+06    4.80138e+05   -1.96868e+06    2.64576e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11282e+02   -2.07404e+02    9.54236e+00    5.17088e-06


DD  step 247419999 load imb.: force 14.6%  pme mesh/force 0.701
           Step           Time
      247420000   494840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10069e+03    1.98166e+04    1.31531e+04    1.23489e+03   -3.05155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99003e+03    9.24263e+04    4.01256e+05   -2.33947e+04   -2.97483e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63767e+04   -2.44393e+06    4.81274e+05   -1.96265e+06    2.64582e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12019e+02   -2.07437e+02    1.07084e+02    5.44720e-06


DD  step 247424999 load imb.: force 16.3%  pme mesh/force 0.699
           Step           Time
      247425000   494850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98849e+03    1.95966e+04    1.29940e+04    1.11558e+03   -3.08987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89537e+03    9.24012e+04    4.03456e+05   -2.34016e+04   -2.98102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63625e+04   -2.44870e+06    4.80329e+05   -1.96837e+06    2.64587e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11406e+02   -2.07559e+02    7.75789e+01    5.21483e-06


DD  step 247429999 load imb.: force 14.8%  pme mesh/force 0.716
           Step           Time
      247430000   494860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86171e+03    1.91237e+04    1.32935e+04    1.21004e+03   -3.00250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93880e+03    9.28595e+04    4.01488e+05   -2.33627e+04   -2.98223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63959e+04   -2.45142e+06    4.81599e+05   -1.96982e+06    2.64593e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12229e+02   -2.06870e+02   -4.11734e+01    5.43796e-06


DD  step 247434999 load imb.: force 15.9%  pme mesh/force 0.727
           Step           Time
      247435000   494870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34599e+03    1.94445e+04    1.29749e+04    1.17690e+03   -3.08706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82364e+03    9.19450e+04    3.99795e+05   -2.33875e+04   -2.97347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67013e+04   -2.44474e+06    4.78713e+05   -1.96602e+06    2.64599e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10358e+02   -2.07310e+02   -6.82240e+00    5.47013e-06


DD  step 247439999 load imb.: force 15.7%  pme mesh/force 0.734
           Step           Time
      247440000   494880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28616e+03    1.94098e+04    1.31816e+04    1.23284e+03   -3.06591e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64577e+03    9.18911e+04    4.02153e+05   -2.33656e+04   -2.97680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65165e+04   -2.44592e+06    4.78963e+05   -1.96695e+06    2.64605e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10520e+02   -2.06921e+02   -1.74988e+01    5.30179e-06


DD  step 247444999 load imb.: force 15.6%  pme mesh/force 0.738
           Step           Time
      247445000   494890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80448e+03    1.94016e+04    1.30090e+04    1.16623e+03   -3.10796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75199e+03    9.25468e+04    3.98707e+05   -2.33961e+04   -2.97637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62656e+04   -2.44922e+06    4.78641e+05   -1.97058e+06    2.64611e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.07462e+02   -4.38295e+01    5.46519e-06


DD  step 247449999 load imb.: force 17.0%  pme mesh/force 0.742
           Step           Time
      247450000   494900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13897e+03    1.94414e+04    1.30877e+04    1.27345e+03   -3.03416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90984e+03    9.17960e+04    4.01047e+05   -2.33531e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66168e+04   -2.44630e+06    4.79585e+05   -1.96671e+06    2.64617e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10924e+02   -2.06701e+02    2.35314e+01    5.43788e-06


DD  step 247454999 load imb.: force 16.7%  pme mesh/force 0.767
           Step           Time
      247455000   494910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95418e+03    1.94882e+04    1.29426e+04    1.11103e+03   -3.04857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86487e+03    9.21202e+04    4.00244e+05   -2.34024e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65099e+04   -2.44804e+06    4.77596e+05   -1.97045e+06    2.64622e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09634e+02   -2.07574e+02   -1.22346e+01    5.40352e-06


DD  step 247459999 load imb.: force 15.9%  pme mesh/force 0.707
           Step           Time
      247460000   494920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82081e+03    1.99866e+04    1.30926e+04    1.20080e+03   -3.10828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86695e+03    9.24226e+04    3.99465e+05   -2.33640e+04   -2.97314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64998e+04   -2.44426e+06    4.79887e+05   -1.96437e+06    2.64628e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11119e+02   -2.06894e+02   -1.78180e+01    5.55717e-06

Writing checkpoint, step 247464200 at Wed Nov  8 16:01:28 2023



DD  step 247464999 load imb.: force 15.6%  pme mesh/force 0.728
           Step           Time
      247465000   494930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10938e+03    1.92180e+04    1.32239e+04    1.10920e+03   -3.05291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82028e+03    9.19608e+04    4.00570e+05   -2.34537e+04   -2.97748e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64449e+04   -2.44853e+06    4.81094e+05   -1.96744e+06    2.64633e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11902e+02   -2.08484e+02    4.72538e+01    5.47359e-06


DD  step 247469999 load imb.: force 16.6%  pme mesh/force 0.752
           Step           Time
      247470000   494940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09382e+03    1.94603e+04    1.30267e+04    1.15227e+03   -3.09023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90578e+03    9.22398e+04    4.02583e+05   -2.34016e+04   -2.97946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63736e+04   -2.44812e+06    4.78884e+05   -1.96923e+06    2.64639e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.07560e+02    5.35181e+01    5.43078e-06


DD  step 247474999 load imb.: force 16.3%  pme mesh/force 0.765
           Step           Time
      247475000   494950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98904e+03    1.95226e+04    1.30718e+04    1.22268e+03   -2.98365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73592e+03    9.21192e+04    4.00560e+05   -2.33332e+04   -2.97344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65640e+04   -2.44397e+06    4.79189e+05   -1.96478e+06    2.64645e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10667e+02   -2.06349e+02    2.23630e+01    5.52138e-06


DD  step 247479999 load imb.: force 15.5%  pme mesh/force 0.718
           Step           Time
      247480000   494960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11960e+03    1.91810e+04    1.29164e+04    1.12299e+03   -2.98367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84672e+03    9.24154e+04    3.99926e+05   -2.34375e+04   -2.97941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62967e+04   -2.45101e+06    4.78526e+05   -1.97248e+06    2.64651e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.08196e+02   -4.76053e+01    5.44103e-06


DD  step 247484999 load imb.: force 16.0%  pme mesh/force 0.730
           Step           Time
      247485000   494970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07428e+03    1.94804e+04    1.27259e+04    1.22868e+03   -3.09321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80856e+03    9.24634e+04    4.00798e+05   -2.33616e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63964e+04   -2.44636e+06    4.80438e+05   -1.96592e+06    2.64657e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11476e+02   -2.06852e+02    3.82619e+01    5.41629e-06


DD  step 247489999 load imb.: force 16.2%  pme mesh/force 0.763
           Step           Time
      247490000   494980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09870e+03    1.92794e+04    1.29444e+04    1.12360e+03   -3.10537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.66614e+03    9.20426e+04    4.00096e+05   -2.34053e+04   -2.97578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65668e+04   -2.44748e+06    4.79079e+05   -1.96840e+06    2.64662e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10595e+02   -2.07625e+02   -6.72267e+01    5.41158e-06


DD  step 247494999 load imb.: force 15.0%  pme mesh/force 0.727
           Step           Time
      247495000   494990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13832e+03    1.95250e+04    1.30921e+04    1.17726e+03   -3.05747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76546e+03    9.25925e+04    3.98589e+05   -2.33511e+04   -2.97458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65651e+04   -2.44655e+06    4.79378e+05   -1.96717e+06    2.64669e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.06665e+02   -7.96406e+01    5.70083e-06


DD  step 247499999 load imb.: force 14.7%  pme mesh/force 0.711
           Step           Time
      247500000   495000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88738e+03    1.95374e+04    1.31591e+04    1.18801e+03   -3.00768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99561e+03    9.27434e+04    3.97264e+05   -2.33517e+04   -2.96979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64140e+04   -2.44296e+06    4.80171e+05   -1.96279e+06    2.64674e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11303e+02   -2.06677e+02   -2.60984e+01    5.55209e-06


DD  step 247504999 load imb.: force 15.8%  pme mesh/force 0.753
           Step           Time
      247505000   495010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89732e+03    1.94705e+04    1.31150e+04    1.23693e+03   -3.04320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87271e+03    9.27348e+04    3.99551e+05   -2.33523e+04   -2.97342e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63376e+04   -2.44460e+06    4.81056e+05   -1.96354e+06    2.64680e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11877e+02   -2.06686e+02    5.22797e-01    5.65311e-06


DD  step 247509999 load imb.: force 16.8%  pme mesh/force 0.747
           Step           Time
      247510000   495020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95313e+03    1.92058e+04    1.30485e+04    1.22448e+03   -3.01795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78225e+03    9.25749e+04    4.00352e+05   -2.34019e+04   -2.97780e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65371e+04   -2.44854e+06    4.77736e+05   -1.97080e+06    2.64686e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09725e+02   -2.07565e+02   -4.41696e+01    5.55849e-06


DD  step 247514999 load imb.: force 15.2%  pme mesh/force 0.725
           Step           Time
      247515000   495030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11568e+03    1.93361e+04    1.29787e+04    1.23608e+03   -3.06738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73708e+03    9.21661e+04    4.01499e+05   -2.33393e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64431e+04   -2.44817e+06    4.77744e+05   -1.97043e+06    2.64691e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09730e+02   -2.06457e+02   -3.73012e+01    5.36950e-06


DD  step 247519999 load imb.: force 17.6%  pme mesh/force 0.726
           Step           Time
      247520000   495040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91227e+03    1.96703e+04    1.29289e+04    1.17126e+03   -2.97230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84149e+03    9.28138e+04    4.01240e+05   -2.34020e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65176e+04   -2.44870e+06    4.79424e+05   -1.96927e+06    2.64697e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10819e+02   -2.07566e+02    3.10256e+01    5.64336e-06


DD  step 247524999 load imb.: force 16.9%  pme mesh/force 0.747
           Step           Time
      247525000   495050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11802e+03    1.94625e+04    1.31752e+04    1.14707e+03   -2.95783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82876e+03    9.25832e+04    3.99052e+05   -2.33665e+04   -2.97398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65377e+04   -2.44540e+06    4.80476e+05   -1.96492e+06    2.64703e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11501e+02   -2.06938e+02   -5.89150e+01    5.53921e-06


DD  step 247529999 load imb.: force 18.1%  pme mesh/force 0.738
           Step           Time
      247530000   495060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90507e+03    1.92531e+04    1.27522e+04    1.18041e+03   -3.07151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70210e+03    9.27017e+04    4.01271e+05   -2.33742e+04   -2.97976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65676e+04   -2.44987e+06    4.79141e+05   -1.97073e+06    2.64708e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.07074e+02   -4.48250e+01    5.50257e-06


DD  step 247534999 load imb.: force 17.3%  pme mesh/force 0.773
           Step           Time
      247535000   495070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92401e+03    1.93869e+04    1.31929e+04    1.21349e+03   -3.08276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93517e+03    9.21037e+04    4.03331e+05   -2.33828e+04   -2.98052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65506e+04   -2.44834e+06    4.79289e+05   -1.96906e+06    2.64714e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10732e+02   -2.07226e+02    1.13965e+02    5.55207e-06


DD  step 247539999 load imb.: force 17.1%  pme mesh/force 0.722
           Step           Time
      247540000   495080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05343e+03    1.93004e+04    1.29827e+04    1.12219e+03   -3.01138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87402e+03    9.24635e+04    4.04194e+05   -2.34113e+04   -2.98293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63306e+04   -2.45004e+06    4.79872e+05   -1.97017e+06    2.64721e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.07731e+02    5.42974e+01    5.80223e-06


DD  step 247544999 load imb.: force 17.2%  pme mesh/force 0.729
           Step           Time
      247545000   495090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96510e+03    1.97632e+04    1.31486e+04    1.13224e+03   -3.11546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.06331e+03    9.27931e+04    4.00195e+05   -2.33749e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63804e+04   -2.44505e+06    4.80102e+05   -1.96495e+06    2.64726e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11259e+02   -2.07086e+02    1.01929e+01    5.37795e-06


DD  step 247549999 load imb.: force 17.7%  pme mesh/force 0.750
           Step           Time
      247550000   495100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91375e+03    1.93353e+04    1.29589e+04    1.23572e+03   -3.05300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87607e+03    9.28583e+04    4.02555e+05   -2.34076e+04   -2.97987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62672e+04   -2.44833e+06    4.78211e+05   -1.97012e+06    2.64733e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10033e+02   -2.07665e+02    3.93547e+01    5.66128e-06


DD  step 247554999 load imb.: force 16.4%  pme mesh/force 0.718
           Step           Time
      247555000   495110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08422e+03    1.91596e+04    1.30816e+04    1.22457e+03   -3.03547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98276e+03    9.29970e+04    4.02215e+05   -2.34045e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65424e+04   -2.44391e+06    4.78330e+05   -1.96558e+06    2.64738e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10110e+02   -2.07611e+02    1.16136e+02    5.72322e-06


DD  step 247559999 load imb.: force 18.1%  pme mesh/force 0.727
           Step           Time
      247560000   495120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87537e+03    1.93948e+04    1.29705e+04    1.19496e+03   -3.07890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.04460e+03    9.28418e+04    3.95917e+05   -2.33658e+04   -2.97200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66260e+04   -2.44658e+06    4.78927e+05   -1.96766e+06    2.64744e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.06926e+02   -7.10834e+01    5.67338e-06


DD  step 247564999 load imb.: force 15.8%  pme mesh/force 0.743
           Step           Time
      247565000   495130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98868e+03    2.00137e+04    1.31063e+04    1.16202e+03   -2.99477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90825e+03    9.21933e+04    4.02525e+05   -2.33897e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65163e+04   -2.44543e+06    4.79528e+05   -1.96590e+06    2.64751e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.07348e+02    6.86741e+01    5.45839e-06


DD  step 247569999 load imb.: force 16.7%  pme mesh/force 0.751
           Step           Time
      247570000   495140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60848e+03    1.90549e+04    1.31448e+04    1.15596e+03   -3.06664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87364e+03    9.33713e+04    4.01129e+05   -2.33752e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64122e+04   -2.44772e+06    4.81429e+05   -1.96630e+06    2.64755e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12119e+02   -2.07092e+02    6.31225e+01    5.74350e-06


DD  step 247574999 load imb.: force 16.5%  pme mesh/force 0.723
           Step           Time
      247575000   495150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67696e+03    1.99684e+04    1.31427e+04    1.15404e+03   -3.14490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75137e+03    9.28157e+04    3.97409e+05   -2.33915e+04   -2.97151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65382e+04   -2.44459e+06    4.80106e+05   -1.96449e+06    2.64762e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11262e+02   -2.07380e+02   -3.50570e+01    5.69894e-06


DD  step 247579999 load imb.: force 16.7%  pme mesh/force 0.715
           Step           Time
      247580000   495160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93349e+03    1.94100e+04    1.32138e+04    1.14869e+03   -3.04758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83564e+03    9.29575e+04    4.00797e+05   -2.34183e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64141e+04   -2.44761e+06    4.79239e+05   -1.96838e+06    2.64768e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10699e+02   -2.07855e+02    1.68951e+01    5.58097e-06


DD  step 247584999 load imb.: force 17.5%  pme mesh/force 0.731
           Step           Time
      247585000   495170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02848e+03    1.90420e+04    1.30976e+04    1.02372e+03   -3.04522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92838e+03    9.31924e+04    3.98809e+05   -2.33254e+04   -2.97561e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65131e+04   -2.44735e+06    4.80189e+05   -1.96716e+06    2.64773e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.06211e+02   -8.32032e+01    5.76520e-06


DD  step 247589999 load imb.: force 16.9%  pme mesh/force 0.742
           Step           Time
      247590000   495180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21434e+03    1.96485e+04    1.29802e+04    1.23376e+03   -2.99072e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71171e+03    9.28561e+04    4.00183e+05   -2.33991e+04   -2.97535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64744e+04   -2.44544e+06    4.79245e+05   -1.96620e+06    2.64779e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10703e+02   -2.07516e+02    1.78421e+01    5.54239e-06


DD  step 247594999 load imb.: force 16.1%  pme mesh/force 0.738
           Step           Time
      247595000   495190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85157e+03    1.92730e+04    1.31766e+04    1.21063e+03   -2.97962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78505e+03    9.24385e+04    4.00171e+05   -2.33603e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63661e+04   -2.44884e+06    4.79896e+05   -1.96894e+06    2.64785e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11125e+02   -2.06828e+02   -4.87088e+01    5.54204e-06


DD  step 247599999 load imb.: force 18.0%  pme mesh/force 0.759
           Step           Time
      247600000   495200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05899e+03    1.91738e+04    1.29101e+04    1.21993e+03   -3.06252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85456e+03    9.26357e+04    3.97981e+05   -2.34665e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61043e+04   -2.44770e+06    4.79989e+05   -1.96771e+06    2.64791e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11185e+02   -2.08712e+02   -4.03596e+01    5.85141e-06


DD  step 247604999 load imb.: force 18.0%  pme mesh/force 0.730
           Step           Time
      247605000   495210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00046e+03    1.94543e+04    1.30248e+04    1.18103e+03   -3.09654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77343e+03    9.24268e+04    3.99093e+05   -2.34150e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64283e+04   -2.44925e+06    4.79482e+05   -1.96977e+06    2.64797e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10856e+02   -2.07797e+02   -1.20271e+01    5.57923e-06


DD  step 247609999 load imb.: force 15.1%  pme mesh/force 0.701
           Step           Time
      247610000   495220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85676e+03    1.95253e+04    1.30823e+04    1.18882e+03   -3.03566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85867e+03    9.30193e+04    3.99656e+05   -2.33956e+04   -2.97504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65126e+04   -2.44578e+06    4.78569e+05   -1.96721e+06    2.64803e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10265e+02   -2.07454e+02   -5.08881e-01    5.47248e-06


DD  step 247614999 load imb.: force 17.9%  pme mesh/force 0.737
           Step           Time
      247615000   495230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83848e+03    1.93524e+04    1.32616e+04    1.15770e+03   -3.02722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92727e+03    9.28792e+04    4.01467e+05   -2.33970e+04   -2.97776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65199e+04   -2.44678e+06    4.78534e+05   -1.96825e+06    2.64809e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.07477e+02    4.00342e+01    5.61484e-06


DD  step 247619999 load imb.: force 17.7%  pme mesh/force 0.757
           Step           Time
      247620000   495240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01836e+03    1.95054e+04    1.29166e+04    1.16738e+03   -2.92191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85928e+03    9.28754e+04    4.03418e+05   -2.33777e+04   -2.98162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64884e+04   -2.44867e+06    4.80191e+05   -1.96848e+06    2.64814e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11316e+02   -2.07135e+02    4.80457e+01    5.64258e-06


DD  step 247624999 load imb.: force 19.5%  pme mesh/force 0.788
           Step           Time
      247625000   495250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91721e+03    1.91490e+04    1.32446e+04    1.21409e+03   -3.00517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89384e+03    9.22900e+04    4.01271e+05   -2.33530e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67737e+04   -2.44718e+06    4.78848e+05   -1.96833e+06    2.64820e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10446e+02   -2.06699e+02   -3.58325e+00    5.78111e-06


DD  step 247629999 load imb.: force 17.7%  pme mesh/force 0.740
           Step           Time
      247630000   495260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04039e+03    1.93536e+04    1.31582e+04    1.23576e+03   -3.24767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84016e+03    9.34264e+04    4.00394e+05   -2.34200e+04   -2.97502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65578e+04   -2.44468e+06    4.80048e+05   -1.96463e+06    2.64826e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11223e+02   -2.07885e+02    2.51195e+01    5.70946e-06


DD  step 247634999 load imb.: force 17.0%  pme mesh/force 0.725
           Step           Time
      247635000   495270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87985e+03    1.93929e+04    1.30188e+04    1.11540e+03   -3.03102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79864e+03    9.28503e+04    4.01207e+05   -2.33697e+04   -2.97766e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65281e+04   -2.44727e+06    4.79371e+05   -1.96790e+06    2.64831e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10785e+02   -2.06995e+02   -1.68438e+01    5.58699e-06


DD  step 247639999 load imb.: force 17.2%  pme mesh/force 0.761
           Step           Time
      247640000   495280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10667e+03    1.95794e+04    1.31891e+04    1.23643e+03   -3.06863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81647e+03    9.24759e+04    4.00465e+05   -2.33641e+04   -2.97789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66945e+04   -2.44776e+06    4.82224e+05   -1.96553e+06    2.64837e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12634e+02   -2.06895e+02   -3.98528e+01    5.73432e-06


DD  step 247644999 load imb.: force 17.2%  pme mesh/force 0.759
           Step           Time
      247645000   495290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89140e+03    1.96851e+04    1.32959e+04    1.16882e+03   -2.96668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93085e+03    9.30826e+04    3.98719e+05   -2.33759e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63538e+04   -2.44564e+06    4.77941e+05   -1.96770e+06    2.64844e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09858e+02   -2.07105e+02   -6.03847e+01    5.62381e-06


DD  step 247649999 load imb.: force 16.5%  pme mesh/force 0.755
           Step           Time
      247650000   495300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02333e+03    1.96641e+04    1.31007e+04    1.20131e+03   -3.02997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71819e+03    9.25008e+04    4.00006e+05   -2.33534e+04   -2.97864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65519e+04   -2.44926e+06    4.79588e+05   -1.96967e+06    2.64849e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.06706e+02   -7.11981e+01    5.68374e-06


DD  step 247654999 load imb.: force 16.2%  pme mesh/force 0.763
           Step           Time
      247655000   495310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99114e+03    1.97006e+04    1.30193e+04    1.14452e+03   -2.91427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76017e+03    9.28192e+04    4.00660e+05   -2.34027e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62716e+04   -2.44804e+06    4.82419e+05   -1.96562e+06    2.64855e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12761e+02   -2.07578e+02   -2.15212e+01    5.73090e-06


DD  step 247659999 load imb.: force 15.2%  pme mesh/force 0.724
           Step           Time
      247660000   495320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10278e+03    1.94850e+04    1.30698e+04    1.19806e+03   -2.98614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86652e+03    9.27321e+04    3.98744e+05   -2.33954e+04   -2.97520e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64939e+04   -2.44689e+06    4.82886e+05   -1.96400e+06    2.64860e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13063e+02   -2.07450e+02   -9.11511e+01    5.84623e-06


DD  step 247664999 load imb.: force 17.1%  pme mesh/force 0.724
           Step           Time
      247665000   495330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02191e+03    1.93334e+04    1.32195e+04    1.18006e+03   -3.00090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98948e+03    9.29002e+04    4.01305e+05   -2.33450e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65495e+04   -2.44756e+06    4.80736e+05   -1.96682e+06    2.64866e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11670e+02   -2.06557e+02    2.06574e+01    5.69217e-06


DD  step 247669999 load imb.: force 18.0%  pme mesh/force 0.758
           Step           Time
      247670000   495340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98777e+03    1.93667e+04    1.30780e+04    1.20912e+03   -3.09868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96175e+03    9.30487e+04    3.99120e+05   -2.33914e+04   -2.97621e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65791e+04   -2.44735e+06    4.80370e+05   -1.96698e+06    2.64872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.07379e+02   -1.27333e+01    5.80190e-06


DD  step 247674999 load imb.: force 19.9%  pme mesh/force 0.776
           Step           Time
      247675000   495350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90913e+03    1.93353e+04    1.30915e+04    1.16045e+03   -3.05015e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80842e+03    9.35128e+04    3.96889e+05   -2.33885e+04   -2.97689e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63552e+04   -2.45027e+06    4.78112e+05   -1.97216e+06    2.64878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09969e+02   -2.07328e+02   -1.64539e+02    5.68243e-06


DD  step 247679999 load imb.: force 17.9%  pme mesh/force 0.752
           Step           Time
      247680000   495360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01102e+03    1.97413e+04    1.32425e+04    1.15410e+03   -3.14825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87754e+03    9.33852e+04    3.98494e+05   -2.34049e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65578e+04   -2.44688e+06    4.79035e+05   -1.96785e+06    2.64884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10567e+02   -2.07618e+02   -2.81822e+01    5.61345e-06


DD  step 247684999 load imb.: force 16.2%  pme mesh/force 0.722
           Step           Time
      247685000   495370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79622e+03    1.95822e+04    1.30688e+04    1.18691e+03   -3.07422e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86203e+03    9.31825e+04    4.02428e+05   -2.33730e+04   -2.98138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62814e+04   -2.44944e+06    4.79954e+05   -1.96949e+06    2.64889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11163e+02   -2.07052e+02    6.41080e+01    5.71605e-06


DD  step 247689999 load imb.: force 16.7%  pme mesh/force 0.758
           Step           Time
      247690000   495380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84627e+03    2.01808e+04    1.30966e+04    1.16073e+03   -3.05566e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78969e+03    9.28732e+04    4.02203e+05   -2.33576e+04   -2.97929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65168e+04   -2.44704e+06    4.80778e+05   -1.96626e+06    2.64896e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11697e+02   -2.06780e+02   -2.52342e+01    5.82979e-06


DD  step 247694999 load imb.: force 16.6%  pme mesh/force 0.725
           Step           Time
      247695000   495390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96789e+03    1.90602e+04    1.30513e+04    1.21484e+03   -2.99089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82002e+03    9.29220e+04    4.00717e+05   -2.33726e+04   -2.97704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63103e+04   -2.44734e+06    4.77976e+05   -1.96937e+06    2.64901e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09880e+02   -2.07046e+02    1.47545e+01    5.63887e-06


DD  step 247699999 load imb.: force 16.0%  pme mesh/force 0.711
           Step           Time
      247700000   495400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18801e+03    1.90421e+04    1.30913e+04    1.19606e+03   -2.92514e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81997e+03    9.29795e+04    4.00024e+05   -2.33728e+04   -2.97795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64236e+04   -2.44849e+06    4.80522e+05   -1.96797e+06    2.64907e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11531e+02   -2.07050e+02   -3.40363e+01    5.83259e-06


DD  step 247704999 load imb.: force 17.3%  pme mesh/force 0.762
           Step           Time
      247705000   495410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64019e+03    1.94244e+04    1.30001e+04    1.18341e+03   -3.18649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86201e+03    9.34905e+04    3.99826e+05   -2.34071e+04   -2.98004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64966e+04   -2.45071e+06    4.80277e+05   -1.97044e+06    2.64913e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.07656e+02    1.09270e+01    5.58043e-06


DD  step 247709999 load imb.: force 18.6%  pme mesh/force 0.759
           Step           Time
      247710000   495420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88383e+03    1.92689e+04    1.31466e+04    1.24747e+03   -3.01526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92519e+03    9.41146e+04    4.02885e+05   -2.34166e+04   -2.98094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64341e+04   -2.44746e+06    4.80873e+05   -1.96659e+06    2.64919e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11759e+02   -2.07826e+02    1.16121e+02    5.71422e-06


DD  step 247714999 load imb.: force 17.8%  pme mesh/force 0.736
           Step           Time
      247715000   495430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88987e+03    1.94675e+04    1.30805e+04    1.23542e+03   -3.10652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84424e+03    9.32984e+04    4.00624e+05   -2.34081e+04   -2.97944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64076e+04   -2.44911e+06    4.78786e+05   -1.97033e+06    2.64925e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10405e+02   -2.07674e+02    1.53011e+01    5.67487e-06


DD  step 247719999 load imb.: force 17.0%  pme mesh/force 0.748
           Step           Time
      247720000   495440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13515e+03    1.93872e+04    1.31213e+04    1.13086e+03   -2.98896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92289e+03    9.29384e+04    4.01754e+05   -2.33008e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66471e+04   -2.44370e+06    4.78374e+05   -1.96533e+06    2.64930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10138e+02   -2.05778e+02    5.87742e+01    5.91648e-06


DD  step 247724999 load imb.: force 16.6%  pme mesh/force 0.748
           Step           Time
      247725000   495450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01366e+03    1.95713e+04    1.30307e+04    1.22856e+03   -3.15731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81127e+03    9.29944e+04    4.00637e+05   -2.34038e+04   -2.97786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64494e+04   -2.44769e+06    4.79988e+05   -1.96770e+06    2.64936e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11185e+02   -2.07598e+02   -1.47992e+01    5.70689e-06


DD  step 247729999 load imb.: force 16.0%  pme mesh/force 0.772
           Step           Time
      247730000   495460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87603e+03    1.96386e+04    1.32285e+04    1.20004e+03   -3.11269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83977e+03    9.29487e+04    3.99390e+05   -2.33794e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63289e+04   -2.44779e+06    4.80693e+05   -1.96710e+06    2.64942e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11642e+02   -2.07166e+02   -2.06625e+01    5.65045e-06


DD  step 247734999 load imb.: force 16.6%  pme mesh/force 0.736
           Step           Time
      247735000   495470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10270e+03    1.92600e+04    1.31727e+04    1.22836e+03   -3.01257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91895e+03    9.31259e+04    4.00625e+05   -2.34014e+04   -2.97931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66998e+04   -2.44859e+06    4.81104e+05   -1.96748e+06    2.64948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11908e+02   -2.07555e+02   -5.11964e+00    5.80012e-06


DD  step 247739999 load imb.: force 18.7%  pme mesh/force 0.765
           Step           Time
      247740000   495480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.64958e+03    1.91963e+04    1.29982e+04    1.13576e+03   -2.88747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87114e+03    9.29153e+04    4.02818e+05   -2.33835e+04   -2.98369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65916e+04   -2.45179e+06    4.78482e+05   -1.97330e+06    2.64954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10208e+02   -2.07238e+02    6.64873e+01    5.85018e-06


DD  step 247744999 load imb.: force 16.8%  pme mesh/force 0.732
           Step           Time
      247745000   495490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92099e+03    1.93324e+04    1.29570e+04    1.09890e+03   -3.05658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73121e+03    9.29999e+04    3.96286e+05   -2.34002e+04   -2.97349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62280e+04   -2.44839e+06    4.78528e+05   -1.96986e+06    2.64959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.07534e+02   -1.54369e+02    5.77400e-06


DD  step 247749999 load imb.: force 17.6%  pme mesh/force 0.745
           Step           Time
      247750000   495500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05312e+03    1.92750e+04    1.31117e+04    1.22688e+03   -3.08731e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00376e+03    9.33012e+04    4.02551e+05   -2.34226e+04   -2.98113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64233e+04   -2.44870e+06    4.79399e+05   -1.96930e+06    2.64965e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10803e+02   -2.07932e+02    1.13165e+02    5.68213e-06


DD  step 247754999 load imb.: force 15.8%  pme mesh/force 0.723
           Step           Time
      247755000   495510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13840e+03    1.92931e+04    1.31583e+04    1.29047e+03   -3.09921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85143e+03    9.35449e+04    3.99716e+05   -2.33684e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66663e+04   -2.44455e+06    4.81219e+05   -1.96333e+06    2.64971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11983e+02   -2.06972e+02    2.34592e+01    5.66524e-06


DD  step 247759999 load imb.: force 17.8%  pme mesh/force 0.783
           Step           Time
      247760000   495520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91221e+03    1.91607e+04    1.31421e+04    1.19513e+03   -3.08517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91152e+03    9.36249e+04    4.02399e+05   -2.33545e+04   -2.97984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62689e+04   -2.44766e+06    4.79330e+05   -1.96833e+06    2.64977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10758e+02   -2.06726e+02    6.54128e+01    5.69667e-06


DD  step 247764999 load imb.: force 16.8%  pme mesh/force 0.744
           Step           Time
      247765000   495530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06587e+03    1.95919e+04    1.30823e+04    1.14959e+03   -3.05725e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.00296e+03    9.32160e+04    4.02017e+05   -2.33803e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67302e+04   -2.44292e+06    4.80643e+05   -1.96228e+06    2.64983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11610e+02   -2.07182e+02    1.12739e+02    5.79756e-06


DD  step 247769999 load imb.: force 15.0%  pme mesh/force 0.736
           Step           Time
      247770000   495540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82307e+03    1.91720e+04    1.31664e+04    1.14656e+03   -3.06715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81023e+03    9.35946e+04    3.97911e+05   -2.33294e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66870e+04   -2.44790e+06    4.79642e+05   -1.96825e+06    2.64988e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.06283e+02   -9.31255e+01    5.79433e-06


DD  step 247774999 load imb.: force 16.7%  pme mesh/force 0.755
           Step           Time
      247775000   495550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.37552e+03    1.92331e+04    1.29799e+04    1.17133e+03   -2.98176e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79427e+03    9.25587e+04    3.99956e+05   -2.34150e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63941e+04   -2.44698e+06    4.79141e+05   -1.96784e+06    2.64994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.07796e+02   -3.75218e+01    5.81321e-06


DD  step 247779999 load imb.: force 18.0%  pme mesh/force 0.772
           Step           Time
      247780000   495560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11384e+03    1.91635e+04    1.32287e+04    1.24649e+03   -3.07671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79962e+03    9.34414e+04    3.98935e+05   -2.33874e+04   -2.97728e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63691e+04   -2.44844e+06    4.77834e+05   -1.97061e+06    2.65000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09789e+02   -2.07308e+02   -8.98124e+01    5.72084e-06


DD  step 247784999 load imb.: force 17.1%  pme mesh/force 0.766
           Step           Time
      247785000   495570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12719e+03    1.96084e+04    1.32190e+04    1.20688e+03   -3.22844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83142e+03    9.33975e+04    3.96755e+05   -2.33550e+04   -2.97279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63008e+04   -2.44593e+06    4.80362e+05   -1.96557e+06    2.65006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11427e+02   -2.06734e+02   -1.12371e+02    5.82588e-06


DD  step 247789999 load imb.: force 16.3%  pme mesh/force 0.728
           Step           Time
      247790000   495580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05841e+03    1.96217e+04    1.31109e+04    1.16945e+03   -3.11593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72705e+03    9.27666e+04    3.98308e+05   -2.33479e+04   -2.97360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65917e+04   -2.44571e+06    4.79517e+05   -1.96619e+06    2.65011e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.06609e+02   -9.61797e+01    5.72487e-06


DD  step 247794999 load imb.: force 16.9%  pme mesh/force 0.771
           Step           Time
      247795000   495590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88856e+03    1.94182e+04    1.30025e+04    1.17085e+03   -3.10896e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01635e+03    9.28616e+04    3.96766e+05   -2.33730e+04   -2.97090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65652e+04   -2.44470e+06    4.79922e+05   -1.96477e+06    2.65017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11142e+02   -2.07052e+02   -6.37684e+01    5.82339e-06

Writing checkpoint, step 247798500 at Wed Nov  8 16:16:28 2023



DD  step 247799999 load imb.: force 17.8%  pme mesh/force 0.776
           Step           Time
      247800000   495600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96604e+03    1.94684e+04    1.28961e+04    1.10569e+03   -3.14399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88120e+03    9.33639e+04    4.00090e+05   -2.33873e+04   -2.97634e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66571e+04   -2.44644e+06    4.80119e+05   -1.96632e+06    2.65023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11270e+02   -2.07307e+02   -6.64183e+01    5.63944e-06


DD  step 247804999 load imb.: force 16.4%  pme mesh/force 0.750
           Step           Time
      247805000   495610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63038e+03    1.96682e+04    1.29684e+04    1.18452e+03   -3.09025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75691e+03    9.38543e+04    4.02607e+05   -2.33430e+04   -2.98139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64908e+04   -2.44866e+06    4.81261e+05   -1.96740e+06    2.65028e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12010e+02   -2.06523e+02    8.93271e+00    5.76939e-06


DD  step 247809999 load imb.: force 20.1%  pme mesh/force 0.800
           Step           Time
      247810000   495620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86543e+03    1.94676e+04    1.29071e+04    1.19171e+03   -2.93217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78712e+03    9.31666e+04    3.98307e+05   -2.33927e+04   -2.97658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64636e+04   -2.44875e+06    4.80427e+05   -1.96832e+06    2.65034e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11469e+02   -2.07403e+02   -6.48583e+01    5.92965e-06


DD  step 247814999 load imb.: force 17.4%  pme mesh/force 0.737
           Step           Time
      247815000   495630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82308e+03    1.91030e+04    1.31772e+04    1.30883e+03   -3.09948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83294e+03    9.38719e+04    4.03614e+05   -2.34451e+04   -2.98141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64230e+04   -2.44780e+06    4.79057e+05   -1.96874e+06    2.65040e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10581e+02   -2.08330e+02    1.03010e+02    5.90771e-06


DD  step 247819999 load imb.: force 17.4%  pme mesh/force 0.755
           Step           Time
      247820000   495640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03551e+03    1.96395e+04    1.32177e+04    1.19574e+03   -3.12786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80083e+03    9.31887e+04    4.01411e+05   -2.33404e+04   -2.97788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66527e+04   -2.44620e+06    4.79277e+05   -1.96692e+06    2.65046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10724e+02   -2.06477e+02    3.21095e+01    5.82566e-06


DD  step 247824999 load imb.: force 16.7%  pme mesh/force 0.765
           Step           Time
      247825000   495650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.74120e+03    1.93568e+04    1.30533e+04    1.15362e+03   -3.12133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02695e+03    9.34262e+04    4.01266e+05   -2.34185e+04   -2.98136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62118e+04   -2.45066e+06    4.80132e+05   -1.97053e+06    2.65052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11278e+02   -2.07859e+02    8.61647e+01    5.98499e-06


DD  step 247829999 load imb.: force 16.5%  pme mesh/force 0.748
           Step           Time
      247830000   495660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08906e+03    1.93474e+04    1.32420e+04    1.21661e+03   -3.02446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77459e+03    9.30492e+04    3.98885e+05   -2.34061e+04   -2.97690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66636e+04   -2.44806e+06    4.79298e+05   -1.96876e+06    2.65058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.07639e+02   -2.49128e+01    5.82772e-06


DD  step 247834999 load imb.: force 14.7%  pme mesh/force 0.734
           Step           Time
      247835000   495670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82409e+03    1.92206e+04    1.31414e+04    1.16187e+03   -3.08144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86672e+03    9.38613e+04    4.01758e+05   -2.33797e+04   -2.97914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64326e+04   -2.44734e+06    4.80185e+05   -1.96715e+06    2.65064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11313e+02   -2.07171e+02    2.74063e+01    5.90811e-06


DD  step 247839999 load imb.: force 15.4%  pme mesh/force 0.715
           Step           Time
      247840000   495680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88758e+03    1.89866e+04    1.29891e+04    1.17972e+03   -3.06897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85922e+03    9.36371e+04    3.99327e+05   -2.34142e+04   -2.97735e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66271e+04   -2.44834e+06    4.78230e+05   -1.97011e+06    2.65069e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10045e+02   -2.07783e+02   -8.65649e+00    5.74015e-06


DD  step 247844999 load imb.: force 16.1%  pme mesh/force 0.773
           Step           Time
      247845000   495690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29883e+03    1.97447e+04    1.30554e+04    1.15378e+03   -3.00137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72690e+03    9.31279e+04    4.00884e+05   -2.34012e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64848e+04   -2.44472e+06    4.82482e+05   -1.96224e+06    2.65076e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12802e+02   -2.07551e+02    4.44890e+01    5.79092e-06


DD  step 247849999 load imb.: force 15.4%  pme mesh/force 0.745
           Step           Time
      247850000   495700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21941e+03    1.94190e+04    1.31356e+04    1.19007e+03   -3.15111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90291e+03    9.30745e+04    3.97157e+05   -2.33869e+04   -2.97155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64730e+04   -2.44452e+06    4.81465e+05   -1.96305e+06    2.65081e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12142e+02   -2.07298e+02   -6.42365e+01    5.86256e-06


DD  step 247854999 load imb.: force 16.1%  pme mesh/force 0.761
           Step           Time
      247855000   495710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81939e+03    1.91890e+04    1.31982e+04    1.20515e+03   -3.14029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88116e+03    9.32732e+04    4.00445e+05   -2.33966e+04   -2.97777e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64217e+04   -2.44788e+06    4.79889e+05   -1.96799e+06    2.65087e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11121e+02   -2.07471e+02    2.07875e+01    5.82474e-06


DD  step 247859999 load imb.: force 14.1%  pme mesh/force 0.722
           Step           Time
      247860000   495720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12193e+03    1.93017e+04    1.29681e+04    1.19116e+03   -3.14223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81733e+03    9.31211e+04    4.01378e+05   -2.34033e+04   -2.97853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63804e+04   -2.44779e+06    4.79621e+05   -1.96817e+06    2.65093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10947e+02   -2.07589e+02    4.26905e+01    5.82509e-06


DD  step 247864999 load imb.: force 16.5%  pme mesh/force 0.769
           Step           Time
      247865000   495730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02674e+03    1.93684e+04    1.30713e+04    1.24144e+03   -3.10100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99677e+03    9.30452e+04    3.99976e+05   -2.33908e+04   -2.97618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67927e+04   -2.44615e+06    4.80282e+05   -1.96587e+06    2.65099e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.07368e+02    2.91212e+01    5.85902e-06


DD  step 247869999 load imb.: force 16.8%  pme mesh/force 0.748
           Step           Time
      247870000   495740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94505e+03    1.92738e+04    1.31214e+04    1.17353e+03   -3.11033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82426e+03    9.32124e+04    3.98566e+05   -2.33592e+04   -2.97438e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66073e+04   -2.44613e+06    4.80053e+05   -1.96608e+06    2.65105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11227e+02   -2.06808e+02   -5.67452e+01    5.91025e-06


DD  step 247874999 load imb.: force 19.2%  pme mesh/force 0.790
           Step           Time
      247875000   495750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17424e+03    1.92636e+04    1.32192e+04    1.13567e+03   -3.10659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81957e+03    9.31322e+04    4.00415e+05   -2.33585e+04   -2.97793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65375e+04   -2.44770e+06    4.79790e+05   -1.96791e+06    2.65111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11056e+02   -2.06796e+02   -2.84945e+01    5.89877e-06


DD  step 247879999 load imb.: force 17.9%  pme mesh/force 0.741
           Step           Time
      247880000   495760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78298e+03    1.93346e+04    1.31114e+04    1.25216e+03   -2.97765e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87354e+03    9.29858e+04    3.99531e+05   -2.33836e+04   -2.97847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64310e+04   -2.44953e+06    4.78426e+05   -1.97110e+06    2.65116e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10172e+02   -2.07240e+02   -2.08384e+01    5.85566e-06


DD  step 247884999 load imb.: force 18.6%  pme mesh/force 0.722
           Step           Time
      247885000   495770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18065e+03    1.93906e+04    1.30967e+04    1.14523e+03   -3.11157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86770e+03    9.29555e+04    4.00703e+05   -2.33634e+04   -2.97718e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66877e+04   -2.44662e+06    4.80490e+05   -1.96613e+06    2.65123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11510e+02   -2.06883e+02    1.98042e+00    5.93064e-06


DD  step 247889999 load imb.: force 15.9%  pme mesh/force 0.729
           Step           Time
      247890000   495780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00731e+03    1.94916e+04    1.31740e+04    1.19458e+03   -3.16278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84143e+03    9.30020e+04    3.99700e+05   -2.34098e+04   -2.97480e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65046e+04   -2.44546e+06    4.80286e+05   -1.96517e+06    2.65129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11378e+02   -2.07705e+02    2.82021e+01    5.80680e-06


DD  step 247894999 load imb.: force 17.1%  pme mesh/force 0.755
           Step           Time
      247895000   495790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93577e+03    1.99649e+04    1.31433e+04    1.23438e+03   -3.12973e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78604e+03    9.27204e+04    4.01245e+05   -2.34115e+04   -2.97830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63276e+04   -2.44749e+06    4.78940e+05   -1.96855e+06    2.65135e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.07736e+02    6.87413e+01    5.66447e-06


DD  step 247899999 load imb.: force 18.3%  pme mesh/force 0.755
           Step           Time
      247900000   495800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08525e+03    1.97496e+04    1.31268e+04    1.28066e+03   -3.05450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76769e+03    9.26525e+04    4.00033e+05   -2.33659e+04   -2.97279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63578e+04   -2.44315e+06    4.81244e+05   -1.96191e+06    2.65140e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11999e+02   -2.06928e+02    3.36447e+01    5.83277e-06


DD  step 247904999 load imb.: force 18.4%  pme mesh/force 0.757
           Step           Time
      247905000   495810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94361e+03    1.91363e+04    1.31124e+04    1.14923e+03   -3.10957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90312e+03    9.33391e+04    4.00492e+05   -2.34180e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63529e+04   -2.44704e+06    4.79367e+05   -1.96767e+06    2.65146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10782e+02   -2.07850e+02    9.62952e+01    5.74289e-06


DD  step 247909999 load imb.: force 17.0%  pme mesh/force 0.752
           Step           Time
      247910000   495820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03583e+03    1.94453e+04    1.29676e+04    1.16482e+03   -3.07775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83229e+03    9.26474e+04    4.02395e+05   -2.34293e+04   -2.98063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64954e+04   -2.44915e+06    4.79734e+05   -1.96942e+06    2.65152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11020e+02   -2.08051e+02    3.07024e+01    5.58723e-06


DD  step 247914999 load imb.: force 18.7%  pme mesh/force 0.764
           Step           Time
      247915000   495830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92818e+03    1.95540e+04    1.30416e+04    1.21047e+03   -2.92486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82034e+03    9.30305e+04    4.00245e+05   -2.33521e+04   -2.97991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64331e+04   -2.44992e+06    4.80223e+05   -1.96970e+06    2.65158e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11337e+02   -2.06684e+02   -3.97121e+01    5.79258e-06


DD  step 247919999 load imb.: force 15.8%  pme mesh/force 0.745
           Step           Time
      247920000   495840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.67309e+03    1.94557e+04    1.30497e+04    1.14282e+03   -3.00241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85431e+03    9.32724e+04    4.00454e+05   -2.33643e+04   -2.97642e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66904e+04   -2.44619e+06    4.75594e+05   -1.97060e+06    2.65164e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08336e+02   -2.06899e+02   -3.57957e+01    5.81977e-06


DD  step 247924999 load imb.: force 17.9%  pme mesh/force 0.761
           Step           Time
      247925000   495850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93483e+03    1.93028e+04    1.33105e+04    1.21175e+03   -3.04956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77264e+03    9.29713e+04    3.99359e+05   -2.33812e+04   -2.97487e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65182e+04   -2.44592e+06    4.79241e+05   -1.96668e+06    2.65169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10700e+02   -2.07198e+02   -3.65926e+01    5.75970e-06


DD  step 247929999 load imb.: force 18.6%  pme mesh/force 0.769
           Step           Time
      247930000   495860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16193e+03    1.90311e+04    1.32091e+04    1.16366e+03   -3.11021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84515e+03    9.28629e+04    4.01425e+05   -2.33419e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65018e+04   -2.44736e+06    4.80922e+05   -1.96644e+06    2.65175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11791e+02   -2.06504e+02   -4.79989e+01    5.64443e-06


DD  step 247934999 load imb.: force 17.6%  pme mesh/force 0.776
           Step           Time
      247935000   495870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12728e+03    1.93839e+04    1.29969e+04    1.07723e+03   -3.00988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74476e+03    9.27699e+04    4.00641e+05   -2.33935e+04   -2.97636e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65155e+04   -2.44650e+06    4.80208e+05   -1.96629e+06    2.65181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11327e+02   -2.07417e+02   -3.96586e+01    5.78531e-06


DD  step 247939999 load imb.: force 20.2%  pme mesh/force 0.799
           Step           Time
      247940000   495880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09654e+03    1.93047e+04    1.31399e+04    1.14677e+03   -3.11046e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73258e+03    9.24455e+04    3.99147e+05   -2.33691e+04   -2.97279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66128e+04   -2.44465e+06    4.77525e+05   -1.96712e+06    2.65186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09588e+02   -2.06984e+02   -9.68605e+00    5.66146e-06


DD  step 247944999 load imb.: force 17.3%  pme mesh/force 0.749
           Step           Time
      247945000   495890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96114e+03    1.96191e+04    1.30519e+04    1.12191e+03   -3.05517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73973e+03    9.32609e+04    4.00430e+05   -2.34465e+04   -2.98031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64390e+04   -2.45019e+06    4.80054e+05   -1.97013e+06    2.65192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11228e+02   -2.08355e+02   -2.15359e+01    5.66151e-06


DD  step 247949999 load imb.: force 18.3%  pme mesh/force 0.719
           Step           Time
      247950000   495900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98109e+03    1.92220e+04    1.29838e+04    1.13873e+03   -3.10627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87068e+03    9.34612e+04    4.01794e+05   -2.33841e+04   -2.98091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65671e+04   -2.44938e+06    4.78642e+05   -1.97074e+06    2.65198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.07249e+02   -6.67450e+00    5.82833e-06


DD  step 247954999 load imb.: force 15.2%  pme mesh/force 0.723
           Step           Time
      247955000   495910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05720e+03    1.97280e+04    1.33146e+04    1.18489e+03   -3.12440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86446e+03    9.25694e+04    4.02810e+05   -2.34432e+04   -2.98045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64807e+04   -2.44801e+06    4.79236e+05   -1.96878e+06    2.65205e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.08296e+02    5.50034e+01    5.65166e-06


DD  step 247959999 load imb.: force 14.8%  pme mesh/force 0.733
           Step           Time
      247960000   495920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17831e+03    1.95390e+04    1.30621e+04    1.19272e+03   -3.18905e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77993e+03    9.31439e+04    3.99067e+05   -2.33854e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68023e+04   -2.44753e+06    4.77555e+05   -1.96997e+06    2.65210e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09607e+02   -2.07273e+02   -4.75983e+01    5.92465e-06


DD  step 247964999 load imb.: force 15.5%  pme mesh/force 0.734
           Step           Time
      247965000   495930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12682e+03    1.89020e+04    1.31132e+04    1.22343e+03   -3.11684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91094e+03    9.33955e+04    4.01360e+05   -2.33622e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65874e+04   -2.44571e+06    4.80572e+05   -1.96514e+06    2.65216e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.06861e+02    6.22252e+01    5.74008e-06


DD  step 247969999 load imb.: force 16.8%  pme mesh/force 0.742
           Step           Time
      247970000   495940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87069e+03    1.92705e+04    1.30582e+04    1.18712e+03   -3.10966e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75996e+03    9.35374e+04    3.99513e+05   -2.33633e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65093e+04   -2.44826e+06    4.77745e+05   -1.97052e+06    2.65222e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09730e+02   -2.06882e+02   -9.69272e+00    5.68248e-06


DD  step 247974999 load imb.: force 19.1%  pme mesh/force 0.782
           Step           Time
      247975000   495950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83314e+03    1.95817e+04    1.31627e+04    1.29501e+03   -3.09777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90837e+03    9.30179e+04    4.04021e+05   -2.34085e+04   -2.98260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63810e+04   -2.44890e+06    4.77862e+05   -1.97104e+06    2.65228e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09806e+02   -2.07682e+02    1.02878e+02    5.87561e-06


DD  step 247979999 load imb.: force 14.8%  pme mesh/force 0.737
           Step           Time
      247980000   495960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88185e+03    1.90036e+04    1.29250e+04    1.22279e+03   -3.09152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67844e+03    9.30001e+04    3.99904e+05   -2.34250e+04   -2.97826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64122e+04   -2.44974e+06    4.78116e+05   -1.97163e+06    2.65233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09971e+02   -2.07975e+02   -7.79344e+00    5.98950e-06


DD  step 247984999 load imb.: force 16.7%  pme mesh/force 0.738
           Step           Time
      247985000   495970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87111e+03    1.94661e+04    1.31146e+04    1.20531e+03   -3.10504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82374e+03    9.28174e+04    4.00754e+05   -2.33910e+04   -2.97694e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64097e+04   -2.44697e+06    4.79140e+05   -1.96784e+06    2.65239e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10635e+02   -2.07371e+02    5.70559e+01    5.65067e-06


DD  step 247989999 load imb.: force 17.5%  pme mesh/force 0.717
           Step           Time
      247990000   495980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92305e+03    1.95312e+04    1.30852e+04    1.20054e+03   -3.15376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82108e+03    9.25552e+04    4.00029e+05   -2.34302e+04   -2.97949e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63288e+04   -2.45060e+06    4.79062e+05   -1.97154e+06    2.65245e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.08066e+02   -4.14551e+01    5.56869e-06


DD  step 247994999 load imb.: force 17.0%  pme mesh/force 0.722
           Step           Time
      247995000   495990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09730e+03    1.97497e+04    1.33139e+04    1.15958e+03   -3.09622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80372e+03    9.22337e+04    4.02548e+05   -2.33969e+04   -2.97807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66679e+04   -2.44599e+06    4.80954e+05   -1.96504e+06    2.65251e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11811e+02   -2.07475e+02    5.29177e+01    5.72235e-06


DD  step 247999999 load imb.: force 17.0%  pme mesh/force 0.761
           Step           Time
      248000000   496000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14530e+03    1.93505e+04    1.31147e+04    1.23049e+03   -3.05945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76344e+03    9.24342e+04    4.01862e+05   -2.33940e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64997e+04   -2.44655e+06    4.80113e+05   -1.96644e+06    2.65257e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11266e+02   -2.07424e+02    6.48223e+01    5.60116e-06


DD  step 248004999 load imb.: force 17.0%  pme mesh/force 0.732
           Step           Time
      248005000   496010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14228e+03    1.96612e+04    1.31067e+04    1.20677e+03   -3.08978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89495e+03    9.24841e+04    4.00720e+05   -2.33829e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65213e+04   -2.44649e+06    4.79968e+05   -1.96652e+06    2.65263e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11172e+02   -2.07229e+02    1.80260e+01    5.71685e-06


DD  step 248009999 load imb.: force 17.4%  pme mesh/force 0.735
           Step           Time
      248010000   496020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03778e+03    1.92512e+04    1.31122e+04    1.29338e+03   -3.07451e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76801e+03    9.26423e+04    3.96527e+05   -2.33711e+04   -2.97139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63208e+04   -2.44588e+06    4.79096e+05   -1.96679e+06    2.65269e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.07019e+02   -1.45616e+02    5.91949e-06


DD  step 248014999 load imb.: force 17.9%  pme mesh/force 0.772
           Step           Time
      248015000   496030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23304e+03    1.92673e+04    1.29648e+04    1.10721e+03   -2.99919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88667e+03    9.29947e+04    4.00052e+05   -2.33827e+04   -2.97645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65236e+04   -2.44681e+06    4.79114e+05   -1.96769e+06    2.65274e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10618e+02   -2.07225e+02    1.88275e+00    5.86257e-06


DD  step 248019999 load imb.: force 17.7%  pme mesh/force 0.713
           Step           Time
      248020000   496040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07676e+03    1.91552e+04    1.31106e+04    1.19119e+03   -3.02638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89376e+03    9.29308e+04    3.99552e+05   -2.33284e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65476e+04   -2.44627e+06    4.79644e+05   -1.96663e+06    2.65280e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10962e+02   -2.06264e+02   -3.18370e+01    5.91205e-06


DD  step 248024999 load imb.: force 16.5%  pme mesh/force 0.752
           Step           Time
      248025000   496050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34594e+03    1.94830e+04    1.32605e+04    1.12974e+03   -2.98680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80837e+03    9.24644e+04    3.99223e+05   -2.33636e+04   -2.97288e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67407e+04   -2.44377e+06    4.82344e+05   -1.96143e+06    2.65286e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12712e+02   -2.06886e+02   -4.45726e+01    5.93286e-06


DD  step 248029999 load imb.: force 17.6%  pme mesh/force 0.755
           Step           Time
      248030000   496060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19523e+03    1.98348e+04    1.31979e+04    1.21290e+03   -3.02668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68410e+03    9.24217e+04    4.01903e+05   -2.33789e+04   -2.97839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64168e+04   -2.44693e+06    4.79187e+05   -1.96774e+06    2.65292e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10666e+02   -2.07157e+02   -1.85801e+01    5.82791e-06


DD  step 248034999 load imb.: force 18.0%  pme mesh/force 0.744
           Step           Time
      248035000   496070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17867e+03    1.91854e+04    1.32733e+04    1.25837e+03   -3.02326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73812e+03    9.23578e+04    3.97463e+05   -2.33609e+04   -2.97197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67283e+04   -2.44517e+06    4.77525e+05   -1.96764e+06    2.65298e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09588e+02   -2.06838e+02   -8.14933e+01    5.78164e-06


DD  step 248039999 load imb.: force 18.4%  pme mesh/force 0.718
           Step           Time
      248040000   496080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87540e+03    1.90323e+04    1.32262e+04    1.14804e+03   -3.08115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94253e+03    9.25668e+04    4.00467e+05   -2.33983e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64270e+04   -2.44890e+06    4.78181e+05   -1.97072e+06    2.65304e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10013e+02   -2.07501e+02    4.67122e+01    5.90787e-06


DD  step 248044999 load imb.: force 16.5%  pme mesh/force 0.782
           Step           Time
      248045000   496090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06068e+03    1.94016e+04    1.33135e+04    1.20035e+03   -2.98677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88682e+03    9.27135e+04    3.99549e+05   -2.33829e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66276e+04   -2.44635e+06    4.79579e+05   -1.96677e+06    2.65310e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.07229e+02    8.85844e+00    5.80027e-06


DD  step 248049999 load imb.: force 16.2%  pme mesh/force 0.700
           Step           Time
      248050000   496100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01683e+03    1.95618e+04    1.31689e+04    1.11671e+03   -3.05322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93790e+03    9.22622e+04    4.00161e+05   -2.33494e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65533e+04   -2.44629e+06    4.80362e+05   -1.96593e+06    2.65315e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11427e+02   -2.06635e+02   -2.32336e+01    5.76078e-06


DD  step 248054999 load imb.: force 19.1%  pme mesh/force 0.762
           Step           Time
      248055000   496110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94045e+03    1.92518e+04    1.30493e+04    1.23554e+03   -3.08650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86430e+03    9.25811e+04    4.01215e+05   -2.33832e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66024e+04   -2.44884e+06    4.78938e+05   -1.96991e+06    2.65321e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10504e+02   -2.07234e+02    1.06857e+00    5.79426e-06


DD  step 248059999 load imb.: force 16.5%  pme mesh/force 0.720
           Step           Time
      248060000   496120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16192e+03    1.96235e+04    1.33091e+04    1.18390e+03   -3.14578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85227e+03    9.24089e+04    3.95455e+05   -2.33317e+04   -2.96875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65527e+04   -2.44368e+06    4.80613e+05   -1.96306e+06    2.65327e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11590e+02   -2.06322e+02   -1.23418e+02    5.75460e-06


DD  step 248064999 load imb.: force 17.0%  pme mesh/force 0.776
           Step           Time
      248065000   496130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14432e+03    1.91813e+04    1.31676e+04    1.18034e+03   -3.02439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86329e+03    9.20703e+04    3.98037e+05   -2.33736e+04   -2.97274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64479e+04   -2.44605e+06    4.78728e+05   -1.96732e+06    2.65333e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.07064e+02   -5.35675e+00    5.69483e-06


DD  step 248069999 load imb.: force 17.6%  pme mesh/force 0.775
           Step           Time
      248070000   496140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09805e+03    1.92695e+04    1.31008e+04    1.11967e+03   -3.09410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82161e+03    9.28295e+04    3.97677e+05   -2.33800e+04   -2.97281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64767e+04   -2.44589e+06    4.83198e+05   -1.96269e+06    2.65339e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13266e+02   -2.07177e+02   -5.16986e+01    5.89608e-06


DD  step 248074999 load imb.: force 16.2%  pme mesh/force 0.752
           Step           Time
      248075000   496150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36031e+03    1.94811e+04    1.29627e+04    1.21273e+03   -2.98151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79220e+03    9.21175e+04    4.01635e+05   -2.34097e+04   -2.97678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67213e+04   -2.44589e+06    4.80281e+05   -1.96561e+06    2.65345e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11375e+02   -2.07704e+02    7.77936e+01    5.75624e-06


DD  step 248079999 load imb.: force 16.6%  pme mesh/force 0.726
           Step           Time
      248080000   496160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16907e+03    1.94904e+04    1.30711e+04    1.08954e+03   -3.05818e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83788e+03    9.29005e+04    4.02054e+05   -2.33699e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65834e+04   -2.44569e+06    4.79513e+05   -1.96618e+06    2.65350e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.06998e+02    1.87672e+01    5.79886e-06


DD  step 248084999 load imb.: force 17.3%  pme mesh/force 0.735
           Step           Time
      248085000   496170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10240e+03    1.95792e+04    1.31692e+04    1.21695e+03   -3.09138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81698e+03    9.23298e+04    3.98648e+05   -2.33676e+04   -2.97672e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66097e+04   -2.44871e+06    4.81862e+05   -1.96684e+06    2.65356e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12399e+02   -2.06957e+02   -1.04627e+02    5.62312e-06


DD  step 248089999 load imb.: force 16.3%  pme mesh/force 0.763
           Step           Time
      248090000   496180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02589e+03    1.94124e+04    1.31875e+04    1.21089e+03   -3.07379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70782e+03    9.28884e+04    3.99455e+05   -2.34303e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64279e+04   -2.44876e+06    4.78430e+05   -1.97033e+06    2.65362e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10175e+02   -2.08067e+02   -4.35005e+01    5.73969e-06


DD  step 248094999 load imb.: force 16.0%  pme mesh/force 0.733
           Step           Time
      248095000   496190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02401e+03    1.95936e+04    1.31554e+04    1.17610e+03   -3.17460e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80479e+03    9.27047e+04    3.99324e+05   -2.33916e+04   -2.97474e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65236e+04   -2.44600e+06    4.77934e+05   -1.96807e+06    2.65368e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09853e+02   -2.07382e+02    8.14478e+01    5.81499e-06


DD  step 248099999 load imb.: force 16.9%  pme mesh/force 0.772
           Step           Time
      248100000   496200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91393e+03    1.93790e+04    1.33526e+04    1.10864e+03   -3.14860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91547e+03    9.30391e+04    4.02360e+05   -2.33635e+04   -2.97828e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66092e+04   -2.44612e+06    4.80211e+05   -1.96591e+06    2.65374e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11330e+02   -2.06885e+02    9.45852e+01    5.79815e-06


DD  step 248104999 load imb.: force 15.2%  pme mesh/force 0.700
           Step           Time
      248105000   496210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02333e+03    1.94027e+04    1.30453e+04    1.16590e+03   -2.87473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76669e+03    9.26660e+04    4.00066e+05   -2.33924e+04   -2.97676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64600e+04   -2.44743e+06    4.80848e+05   -1.96658e+06    2.65380e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11743e+02   -2.07396e+02    8.79651e+00    5.64065e-06


DD  step 248109999 load imb.: force 17.2%  pme mesh/force 0.752
           Step           Time
      248110000   496220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96650e+03    1.94692e+04    1.31309e+04    1.16160e+03   -3.06200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93540e+03    9.28945e+04    3.98061e+05   -2.34153e+04   -2.97579e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64012e+04   -2.44824e+06    4.81575e+05   -1.96667e+06    2.65386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12213e+02   -2.07802e+02   -8.40445e+01    5.67433e-06


DD  step 248114999 load imb.: force 16.6%  pme mesh/force 0.769
           Step           Time
      248115000   496230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96894e+03    1.95322e+04    1.31766e+04    1.22888e+03   -2.95455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84577e+03    9.26236e+04    4.00445e+05   -2.33488e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64610e+04   -2.44737e+06    4.80434e+05   -1.96693e+06    2.65392e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11474e+02   -2.06625e+02    3.22131e+01    5.62527e-06


DD  step 248119999 load imb.: force 17.3%  pme mesh/force 0.753
           Step           Time
      248120000   496240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17887e+03    1.99110e+04    1.29663e+04    1.18083e+03   -3.01501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81027e+03    9.20097e+04    4.01486e+05   -2.33643e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65057e+04   -2.44715e+06    4.78448e+05   -1.96870e+06    2.65398e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10186e+02   -2.06899e+02    3.48795e+01    5.53066e-06


DD  step 248124999 load imb.: force 15.6%  pme mesh/force 0.759
           Step           Time
      248125000   496250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25485e+03    1.92665e+04    1.30529e+04    1.21832e+03   -3.00828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.62953e+03    9.27230e+04    3.97510e+05   -2.33450e+04   -2.97314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63872e+04   -2.44645e+06    4.80189e+05   -1.96626e+06    2.65404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11315e+02   -2.06557e+02   -1.56091e+02    5.61911e-06


DD  step 248129999 load imb.: force 18.1%  pme mesh/force 0.767
           Step           Time
      248130000   496260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12296e+03    1.95207e+04    1.31281e+04    1.17049e+03   -3.10652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72825e+03    9.26931e+04    3.96764e+05   -2.33895e+04   -2.97161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65170e+04   -2.44546e+06    4.79522e+05   -1.96594e+06    2.65410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10883e+02   -2.07346e+02   -1.21200e+02    5.59036e-06

Writing checkpoint, step 248132700 at Wed Nov  8 16:31:28 2023



DD  step 248134999 load imb.: force 18.0%  pme mesh/force 0.752
           Step           Time
      248135000   496270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04281e+03    1.93555e+04    1.29729e+04    1.17030e+03   -3.07704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82375e+03    9.21510e+04    4.00706e+05   -2.33953e+04   -2.97767e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64584e+04   -2.44846e+06    4.79337e+05   -1.96912e+06    2.65415e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10763e+02   -2.07447e+02   -4.10199e+00    5.87520e-06


DD  step 248139999 load imb.: force 17.3%  pme mesh/force 0.743
           Step           Time
      248140000   496280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08528e+03    1.97907e+04    1.30421e+04    1.16416e+03   -2.91440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90864e+03    9.27457e+04    4.02205e+05   -2.33783e+04   -2.97725e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62851e+04   -2.44532e+06    4.82064e+05   -1.96325e+06    2.65421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12531e+02   -2.07147e+02    9.56470e+01    5.65818e-06


DD  step 248144999 load imb.: force 15.3%  pme mesh/force 0.731
           Step           Time
      248145000   496290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34476e+03    1.97501e+04    1.31393e+04    1.19961e+03   -2.96228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79760e+03    9.19440e+04    4.01742e+05   -2.34426e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63848e+04   -2.44728e+06    4.81797e+05   -1.96549e+06    2.65428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12357e+02   -2.08287e+02    4.99283e+00    5.76142e-06


DD  step 248149999 load imb.: force 16.9%  pme mesh/force 0.702
           Step           Time
      248150000   496300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11471e+03    1.92284e+04    1.32115e+04    1.21721e+03   -3.16028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90529e+03    9.25646e+04    4.01482e+05   -2.34051e+04   -2.97947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64232e+04   -2.44889e+06    4.78121e+05   -1.97077e+06    2.65433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.07622e+02    1.86744e+01    5.82474e-06


DD  step 248154999 load imb.: force 17.7%  pme mesh/force 0.787
           Step           Time
      248155000   496310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10949e+03    1.93939e+04    1.29738e+04    1.21123e+03   -3.08890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89193e+03    9.22473e+04    4.00941e+05   -2.33592e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64939e+04   -2.44721e+06    4.79835e+05   -1.96738e+06    2.65439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11085e+02   -2.06808e+02   -1.02950e+01    5.80563e-06


DD  step 248159999 load imb.: force 17.1%  pme mesh/force 0.722
           Step           Time
      248160000   496320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10755e+03    1.91808e+04    1.31343e+04    1.21411e+03   -3.15888e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83946e+03    9.24551e+04    4.00793e+05   -2.33877e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65811e+04   -2.44719e+06    4.80936e+05   -1.96625e+06    2.65444e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11800e+02   -2.07313e+02    1.97400e+01    5.86494e-06


DD  step 248164999 load imb.: force 15.4%  pme mesh/force 0.716
           Step           Time
      248165000   496330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15479e+03    1.87257e+04    1.30366e+04    1.20681e+03   -3.15951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88925e+03    9.22887e+04    3.99055e+05   -2.33711e+04   -2.97477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65485e+04   -2.44739e+06    4.78468e+05   -1.96892e+06    2.65450e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10200e+02   -2.07020e+02   -5.89938e+01    5.86503e-06


DD  step 248169999 load imb.: force 16.0%  pme mesh/force 0.778
           Step           Time
      248170000   496340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08797e+03    1.94486e+04    1.31842e+04    1.19328e+03   -3.12256e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95350e+03    9.23264e+04    4.02603e+05   -2.34145e+04   -2.97881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63154e+04   -2.44724e+06    4.80977e+05   -1.96626e+06    2.65456e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11826e+02   -2.07788e+02    9.43900e+01    5.67254e-06


DD  step 248174999 load imb.: force 16.7%  pme mesh/force 0.775
           Step           Time
      248175000   496350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19310e+03    1.91721e+04    1.32050e+04    1.24606e+03   -3.07788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93935e+03    9.24545e+04    4.00320e+05   -2.34489e+04   -2.97938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64519e+04   -2.44992e+06    4.82036e+05   -1.96789e+06    2.65462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12512e+02   -2.08399e+02    2.25489e+01    5.86848e-06


DD  step 248179999 load imb.: force 16.4%  pme mesh/force 0.734
           Step           Time
      248180000   496360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97198e+03    1.96408e+04    1.31155e+04    1.11343e+03   -3.07440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02143e+03    9.28094e+04    3.99452e+05   -2.33578e+04   -2.97301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64274e+04   -2.44389e+06    4.80342e+05   -1.96354e+06    2.65468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11415e+02   -2.06784e+02    1.50994e+01    5.86035e-06


DD  step 248184999 load imb.: force 17.6%  pme mesh/force 0.759
           Step           Time
      248185000   496370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12144e+03    1.93905e+04    1.31897e+04    1.16149e+03   -3.04852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80648e+03    9.26717e+04    4.01481e+05   -2.34074e+04   -2.97895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64787e+04   -2.44811e+06    4.78883e+05   -1.96923e+06    2.65474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10469e+02   -2.07662e+02   -1.96230e+01    5.66911e-06


DD  step 248189999 load imb.: force 16.3%  pme mesh/force 0.728
           Step           Time
      248190000   496380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24681e+03    1.95730e+04    1.30255e+04    1.15059e+03   -3.08547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83690e+03    9.25761e+04    3.99182e+05   -2.33567e+04   -2.97638e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65248e+04   -2.44771e+06    4.80232e+05   -1.96748e+06    2.65479e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11343e+02   -2.06765e+02   -8.19696e+01    5.81843e-06


DD  step 248194999 load imb.: force 15.6%  pme mesh/force 0.721
           Step           Time
      248195000   496390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09020e+03    1.95366e+04    1.31145e+04    1.15412e+03   -3.08114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82344e+03    9.28222e+04    4.00604e+05   -2.33716e+04   -2.97590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67374e+04   -2.44547e+06    4.80149e+05   -1.96532e+06    2.65485e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11289e+02   -2.07029e+02   -2.52906e+01    5.95732e-06


DD  step 248199999 load imb.: force 15.2%  pme mesh/force 0.750
           Step           Time
      248200000   496400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.63552e+03    1.94174e+04    1.30610e+04    1.10070e+03   -2.96524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77092e+03    9.24969e+04    3.97624e+05   -2.33633e+04   -2.97380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65013e+04   -2.44752e+06    4.77791e+05   -1.96973e+06    2.65491e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09760e+02   -2.06882e+02   -9.18601e+01    5.94540e-06


DD  step 248204999 load imb.: force 15.6%  pme mesh/force 0.759
           Step           Time
      248205000   496410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00375e+03    1.92041e+04    1.31141e+04    1.22187e+03   -3.10416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78020e+03    9.29208e+04    4.03261e+05   -2.34254e+04   -2.97942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65274e+04   -2.44691e+06    4.79287e+05   -1.96763e+06    2.65497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10730e+02   -2.07982e+02    9.01289e+01    5.73438e-06


DD  step 248209999 load imb.: force 16.4%  pme mesh/force 0.735
           Step           Time
      248210000   496420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06674e+03    1.91246e+04    1.30959e+04    1.16245e+03   -3.10593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84107e+03    9.30272e+04    4.00278e+05   -2.33935e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65429e+04   -2.44696e+06    4.78957e+05   -1.96801e+06    2.65502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.07416e+02   -1.41679e+00    5.82806e-06


DD  step 248214999 load imb.: force 19.3%  pme mesh/force 0.760
           Step           Time
      248215000   496430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13587e+03    1.97316e+04    1.29945e+04    1.12218e+03   -3.19876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77062e+03    9.18510e+04    4.01787e+05   -2.33565e+04   -2.97670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66092e+04   -2.44625e+06    4.77760e+05   -1.96849e+06    2.65508e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09740e+02   -2.06761e+02    2.46796e+01    5.83440e-06


DD  step 248219999 load imb.: force 16.7%  pme mesh/force 0.750
           Step           Time
      248220000   496440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79189e+03    1.91902e+04    1.30577e+04    1.15676e+03   -3.14413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92624e+03    9.26246e+04    4.02325e+05   -2.34477e+04   -2.98019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61564e+04   -2.44955e+06    4.76656e+05   -1.97290e+06    2.65514e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09025e+02   -2.08377e+02    7.10734e+01    5.85777e-06


DD  step 248224999 load imb.: force 16.5%  pme mesh/force 0.746
           Step           Time
      248225000   496450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.30062e+03    1.93003e+04    1.30359e+04    1.23123e+03   -3.08533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84444e+03    9.21860e+04    4.02437e+05   -2.33807e+04   -2.98025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64799e+04   -2.44890e+06    4.79980e+05   -1.96892e+06    2.65520e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11180e+02   -2.07188e+02    1.15494e+01    5.96867e-06


DD  step 248229999 load imb.: force 18.3%  pme mesh/force 0.721
           Step           Time
      248230000   496460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.60441e+03    1.95277e+04    1.30748e+04    1.17525e+03   -3.03273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94837e+03    9.22009e+04    3.97455e+05   -2.33623e+04   -2.97296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63847e+04   -2.44698e+06    4.80416e+05   -1.96657e+06    2.65525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11462e+02   -2.06864e+02   -6.62890e+01    5.99383e-06


DD  step 248234999 load imb.: force 17.4%  pme mesh/force 0.737
           Step           Time
      248235000   496470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13765e+03    1.94316e+04    1.28956e+04    1.17383e+03   -3.06175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77441e+03    9.22594e+04    4.02831e+05   -2.33753e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66925e+04   -2.44750e+06    4.81034e+05   -1.96646e+06    2.65531e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11863e+02   -2.07093e+02    6.48928e+01    5.94397e-06


DD  step 248239999 load imb.: force 16.3%  pme mesh/force 0.750
           Step           Time
      248240000   496480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81375e+03    1.91465e+04    1.29050e+04    1.14855e+03   -3.15953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88515e+03    9.32443e+04    4.01796e+05   -2.33722e+04   -2.97905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64657e+04   -2.44818e+06    4.79460e+05   -1.96872e+06    2.65537e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10842e+02   -2.07039e+02    5.47759e+01    5.75249e-06


DD  step 248244999 load imb.: force 18.7%  pme mesh/force 0.769
           Step           Time
      248245000   496490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17140e+03    1.91774e+04    1.30808e+04    1.24044e+03   -2.95547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86814e+03    9.27916e+04    3.98512e+05   -2.33102e+04   -2.97329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64806e+04   -2.44523e+06    4.80220e+05   -1.96501e+06    2.65543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11335e+02   -2.05943e+02   -9.53340e+01    5.86846e-06


DD  step 248249999 load imb.: force 16.0%  pme mesh/force 0.715
           Step           Time
      248250000   496500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93601e+03    1.95230e+04    1.29053e+04    1.12138e+03   -3.06484e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85714e+03    9.29700e+04    3.98201e+05   -2.33890e+04   -2.97429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64775e+04   -2.44676e+06    4.78440e+05   -1.96832e+06    2.65549e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10181e+02   -2.07336e+02   -6.37404e+01    5.67523e-06


DD  step 248254999 load imb.: force 17.6%  pme mesh/force 0.747
           Step           Time
      248255000   496510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01472e+03    1.95470e+04    1.30720e+04    1.27503e+03   -2.98856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75691e+03    9.22665e+04    3.99076e+05   -2.33560e+04   -2.97379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64198e+04   -2.44570e+06    4.78746e+05   -1.96696e+06    2.65555e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10380e+02   -2.06752e+02   -4.46113e+01    5.88265e-06


DD  step 248259999 load imb.: force 17.0%  pme mesh/force 0.740
           Step           Time
      248260000   496520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04907e+03    1.97679e+04    1.30494e+04    1.16888e+03   -2.95048e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74363e+03    9.21818e+04    3.99887e+05   -2.34271e+04   -2.97556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64092e+04   -2.44668e+06    4.78267e+05   -1.96841e+06    2.65560e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10069e+02   -2.08012e+02    5.52390e+00    5.77880e-06


DD  step 248264999 load imb.: force 15.7%  pme mesh/force 0.780
           Step           Time
      248265000   496530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92062e+03    1.95208e+04    1.29826e+04    1.17142e+03   -2.90359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91053e+03    9.23455e+04    4.02552e+05   -2.34288e+04   -2.97853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63317e+04   -2.44713e+06    4.80468e+05   -1.96666e+06    2.65566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11496e+02   -2.08041e+02    1.10798e+02    5.89054e-06


DD  step 248269999 load imb.: force 20.4%  pme mesh/force 0.767
           Step           Time
      248270000   496540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78073e+03    1.97421e+04    1.29699e+04    1.26067e+03   -2.94746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90491e+03    9.24648e+04    4.00546e+05   -2.33425e+04   -2.97599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65710e+04   -2.44604e+06    4.79534e+05   -1.96650e+06    2.65572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10890e+02   -2.06514e+02    8.28912e+00    5.82527e-06


DD  step 248274999 load imb.: force 15.2%  pme mesh/force 0.755
           Step           Time
      248275000   496550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14362e+03    1.95866e+04    1.31303e+04    1.15961e+03   -3.03021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79234e+03    9.28146e+04    4.00436e+05   -2.34161e+04   -2.97598e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64790e+04   -2.44589e+06    4.80021e+05   -1.96587e+06    2.65578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11206e+02   -2.07816e+02    4.83332e+01    5.92465e-06


DD  step 248279999 load imb.: force 16.1%  pme mesh/force 0.763
           Step           Time
      248280000   496560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94975e+03    1.92358e+04    1.30417e+04    1.12138e+03   -2.98794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94760e+03    9.33073e+04    4.02912e+05   -2.33921e+04   -2.97643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64909e+04   -2.44381e+06    4.80047e+05   -1.96376e+06    2.65583e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11223e+02   -2.07392e+02    1.24813e+02    6.04669e-06


DD  step 248284999 load imb.: force 17.6%  pme mesh/force 0.770
           Step           Time
      248285000   496570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90471e+03    1.97751e+04    1.30006e+04    1.17787e+03   -3.04223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78660e+03    9.26754e+04    4.02273e+05   -2.33909e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63428e+04   -2.44547e+06    4.78716e+05   -1.96675e+06    2.65590e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10360e+02   -2.07370e+02    3.92748e+01    5.81338e-06


DD  step 248289999 load imb.: force 15.7%  pme mesh/force 0.751
           Step           Time
      248290000   496580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09484e+03    1.96586e+04    1.30110e+04    1.30943e+03   -3.10276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86048e+03    9.26364e+04    3.99599e+05   -2.33529e+04   -2.97659e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63871e+04   -2.44749e+06    4.79443e+05   -1.96805e+06    2.65596e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.06697e+02   -2.37132e+01    5.86690e-06


DD  step 248294999 load imb.: force 18.7%  pme mesh/force 0.779
           Step           Time
      248295000   496590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88976e+03    1.92937e+04    1.29781e+04    1.13724e+03   -3.04518e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83024e+03    9.26141e+04    3.98558e+05   -2.33756e+04   -2.97486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63747e+04   -2.44761e+06    4.77958e+05   -1.96965e+06    2.65601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09868e+02   -2.07099e+02   -6.19109e+01    5.72601e-06


DD  step 248299999 load imb.: force 18.8%  pme mesh/force 0.726
           Step           Time
      248300000   496600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12741e+03    1.96129e+04    1.31141e+04    1.27985e+03   -3.08097e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82787e+03    9.27162e+04    4.02482e+05   -2.34061e+04   -2.97866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65310e+04   -2.44645e+06    4.79411e+05   -1.96704e+06    2.65608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10811e+02   -2.07638e+02    9.22596e+01    5.70500e-06


DD  step 248304999 load imb.: force 17.0%  pme mesh/force 0.724
           Step           Time
      248305000   496610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96270e+03    1.92555e+04    1.29882e+04    1.16371e+03   -2.99215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93675e+03    9.28569e+04    3.98838e+05   -2.34267e+04   -2.97576e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62850e+04   -2.44789e+06    4.78915e+05   -1.96898e+06    2.65613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.08003e+02   -1.50530e+01    5.75041e-06


DD  step 248309999 load imb.: force 15.4%  pme mesh/force 0.730
           Step           Time
      248310000   496620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13671e+03    1.91653e+04    1.30957e+04    1.16748e+03   -3.15475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93848e+03    9.22984e+04    4.02016e+05   -2.34132e+04   -2.97897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61554e+04   -2.44857e+06    4.78636e+05   -1.96993e+06    2.65619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10308e+02   -2.07764e+02    5.93875e+01    5.71918e-06


DD  step 248314999 load imb.: force 19.7%  pme mesh/force 0.806
           Step           Time
      248315000   496630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05785e+03    1.94386e+04    1.30886e+04    1.17142e+03   -3.23880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84303e+03    9.28581e+04    4.02866e+05   -2.33827e+04   -2.98214e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65451e+04   -2.44990e+06    4.77476e+05   -1.97242e+06    2.65625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09556e+02   -2.07225e+02    1.11720e+01    5.71942e-06


DD  step 248319999 load imb.: force 17.3%  pme mesh/force 0.748
           Step           Time
      248320000   496640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98013e+03    1.95264e+04    1.29925e+04    1.16954e+03   -3.11244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.06123e+03    9.21492e+04    4.00984e+05   -2.33639e+04   -2.97675e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66563e+04   -2.44671e+06    4.80626e+05   -1.96608e+06    2.65631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.06893e+02    6.78568e+01    5.69578e-06


DD  step 248324999 load imb.: force 17.9%  pme mesh/force 0.770
           Step           Time
      248325000   496650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02992e+03    1.94221e+04    1.30990e+04    1.17514e+03   -3.09415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82357e+03    9.31627e+04    4.02644e+05   -2.33533e+04   -2.97874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63190e+04   -2.44652e+06    4.80409e+05   -1.96611e+06    2.65636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11458e+02   -2.06705e+02    1.56487e+01    5.91334e-06


DD  step 248329999 load imb.: force 18.8%  pme mesh/force 0.764
           Step           Time
      248330000   496660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86672e+03    1.93807e+04    1.30745e+04    1.17479e+03   -3.13597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79232e+03    9.29606e+04    4.01887e+05   -2.34129e+04   -2.97635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66693e+04   -2.44509e+06    4.78514e+05   -1.96658e+06    2.65642e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10229e+02   -2.07759e+02    8.58865e+01    5.76127e-06


DD  step 248334999 load imb.: force 18.0%  pme mesh/force 0.775
           Step           Time
      248335000   496670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20448e+03    1.95881e+04    1.30950e+04    1.17937e+03   -3.27997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79312e+03    9.24562e+04    4.02122e+05   -2.33988e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65188e+04   -2.44692e+06    4.78912e+05   -1.96800e+06    2.65648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10487e+02   -2.07510e+02    6.42330e+01    5.78098e-06


DD  step 248339999 load imb.: force 15.6%  pme mesh/force 0.722
           Step           Time
      248340000   496680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99781e+03    1.98736e+04    1.31101e+04    1.18847e+03   -2.99925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78119e+03    9.24814e+04    3.97572e+05   -2.33591e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65657e+04   -2.44942e+06    4.79876e+05   -1.96954e+06    2.65653e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11112e+02   -2.06808e+02   -1.44555e+02    5.54275e-06


DD  step 248344999 load imb.: force 17.8%  pme mesh/force 0.781
           Step           Time
      248345000   496690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81729e+03    1.95234e+04    1.31019e+04    1.15453e+03   -3.09006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78552e+03    9.25304e+04    4.03382e+05   -2.34100e+04   -2.98166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64187e+04   -2.44944e+06    4.79411e+05   -1.97003e+06    2.65659e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10811e+02   -2.07709e+02    7.76162e+01    5.88967e-06


DD  step 248349999 load imb.: force 18.5%  pme mesh/force 0.762
           Step           Time
      248350000   496700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92688e+03    1.92444e+04    1.31598e+04    1.14662e+03   -3.06074e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80825e+03    9.28319e+04    4.03538e+05   -2.33615e+04   -2.98082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64034e+04   -2.44818e+06    4.79536e+05   -1.96865e+06    2.65665e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10892e+02   -2.06849e+02    5.56725e+01    5.74772e-06


DD  step 248354999 load imb.: force 18.9%  pme mesh/force 0.761
           Step           Time
      248355000   496710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97326e+03    1.96897e+04    1.29804e+04    1.29388e+03   -3.11943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86401e+03    9.28183e+04    3.98797e+05   -2.33605e+04   -2.97380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63658e+04   -2.44550e+06    4.80715e+05   -1.96479e+06    2.65671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11656e+02   -2.06832e+02   -1.03513e+01    5.62954e-06


DD  step 248359999 load imb.: force 17.9%  pme mesh/force 0.785
           Step           Time
      248360000   496720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10515e+03    1.93651e+04    1.29186e+04    1.19829e+03   -2.95373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78289e+03    9.27536e+04    3.98017e+05   -2.33613e+04   -2.97304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64744e+04   -2.44574e+06    4.79313e+05   -1.96643e+06    2.65677e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10747e+02   -2.06846e+02   -4.13782e+01    5.72672e-06


DD  step 248364999 load imb.: force 18.8%  pme mesh/force 0.763
           Step           Time
      248365000   496730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21264e+03    1.91808e+04    1.32181e+04    1.11325e+03   -3.02685e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82005e+03    9.32033e+04    4.01431e+05   -2.34264e+04   -2.97953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64592e+04   -2.44835e+06    4.79084e+05   -1.96926e+06    2.65683e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10599e+02   -2.07999e+02    2.17750e+01    5.78636e-06


DD  step 248369999 load imb.: force 19.3%  pme mesh/force 0.793
           Step           Time
      248370000   496740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91524e+03    1.93979e+04    1.30040e+04    1.19360e+03   -3.04055e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89496e+03    9.24909e+04    4.02633e+05   -2.34199e+04   -2.98148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67445e+04   -2.44967e+06    4.79460e+05   -1.97021e+06    2.65688e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.07885e+02    3.52032e+01    5.84432e-06


DD  step 248374999 load imb.: force 18.9%  pme mesh/force 0.791
           Step           Time
      248375000   496750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94852e+03    1.94071e+04    1.28406e+04    1.17545e+03   -3.06307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86510e+03    9.24994e+04    3.97481e+05   -2.34216e+04   -2.97683e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65930e+04   -2.45051e+06    4.79455e+05   -1.97105e+06    2.65694e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10839e+02   -2.07914e+02   -8.36425e+01    5.57890e-06


DD  step 248379999 load imb.: force 18.1%  pme mesh/force 0.750
           Step           Time
      248380000   496760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24885e+03    2.00807e+04    1.29250e+04    1.18490e+03   -3.17201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88776e+03    9.24241e+04    3.99192e+05   -2.33971e+04   -2.97422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65400e+04   -2.44530e+06    4.80261e+05   -1.96504e+06    2.65700e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11362e+02   -2.07479e+02   -6.70707e+01    5.64879e-06


DD  step 248384999 load imb.: force 16.5%  pme mesh/force 0.756
           Step           Time
      248385000   496770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98241e+03    1.96481e+04    1.30370e+04    1.32564e+03   -3.11570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82258e+03    9.26104e+04    3.99527e+05   -2.33390e+04   -2.97522e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66698e+04   -2.44605e+06    4.83147e+05   -1.96291e+06    2.65706e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13233e+02   -2.06452e+02   -4.78484e+01    5.83090e-06


DD  step 248389999 load imb.: force 17.2%  pme mesh/force 0.733
           Step           Time
      248390000   496780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95542e+03    1.94870e+04    1.32171e+04    1.19423e+03   -3.14703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84382e+03    9.24276e+04    3.99898e+05   -2.34324e+04   -2.97667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65180e+04   -2.44771e+06    4.78384e+05   -1.96933e+06    2.65712e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10145e+02   -2.08105e+02    4.19174e+01    5.78245e-06


DD  step 248394999 load imb.: force 18.0%  pme mesh/force 0.728
           Step           Time
      248395000   496790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88488e+03    1.94575e+04    1.28817e+04    1.09197e+03   -3.05657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83094e+03    9.29507e+04    4.02745e+05   -2.34003e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63707e+04   -2.44794e+06    4.78801e+05   -1.96914e+06    2.65718e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10415e+02   -2.07537e+02    7.28529e+01    5.86551e-06


DD  step 248399999 load imb.: force 16.7%  pme mesh/force 0.759
           Step           Time
      248400000   496800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03896e+03    1.97520e+04    1.30338e+04    1.15243e+03   -3.07313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72742e+03    9.31513e+04    4.00068e+05   -2.34012e+04   -2.97221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65408e+04   -2.44222e+06    4.80889e+05   -1.96133e+06    2.65724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11769e+02   -2.07553e+02    1.56319e+01    5.85841e-06


DD  step 248404999 load imb.: force 17.4%  pme mesh/force 0.780
           Step           Time
      248405000   496810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10206e+03    1.95910e+04    1.30184e+04    1.10636e+03   -3.02796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73113e+03    9.25598e+04    4.03941e+05   -2.33422e+04   -2.97932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64900e+04   -2.44615e+06    4.81450e+05   -1.96470e+06    2.65729e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12133e+02   -2.06508e+02    1.07368e+02    5.82183e-06


DD  step 248409999 load imb.: force 18.1%  pme mesh/force 0.783
           Step           Time
      248410000   496820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02798e+03    1.96344e+04    1.30576e+04    1.20717e+03   -3.04423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82816e+03    9.24632e+04    4.02782e+05   -2.33783e+04   -2.97886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64544e+04   -2.44683e+06    4.79491e+05   -1.96734e+06    2.65736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10862e+02   -2.07146e+02    2.80187e+01    5.66771e-06


DD  step 248414999 load imb.: force 15.6%  pme mesh/force 0.729
           Step           Time
      248415000   496830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27837e+03    1.96885e+04    1.31379e+04    1.11755e+03   -3.08662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82861e+03    9.21064e+04    3.99275e+05   -2.33668e+04   -2.97631e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67379e+04   -2.44759e+06    4.80768e+05   -1.96683e+06    2.65741e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11691e+02   -2.06943e+02   -7.41838e+01    5.80937e-06


DD  step 248419999 load imb.: force 18.8%  pme mesh/force 0.745
           Step           Time
      248420000   496840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05656e+03    1.97199e+04    1.32027e+04    1.20358e+03   -3.15935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89238e+03    9.21243e+04    3.99568e+05   -2.34110e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65484e+04   -2.44662e+06    4.80444e+05   -1.96618e+06    2.65747e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11481e+02   -2.07725e+02   -2.73566e+01    5.86304e-06


DD  step 248424999 load imb.: force 18.6%  pme mesh/force 0.736
           Step           Time
      248425000   496850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.12662e+03    1.99137e+04    1.30262e+04    1.20152e+03   -3.10528e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81081e+03    9.21376e+04    4.00930e+05   -2.33638e+04   -2.97538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65509e+04   -2.44515e+06    4.82757e+05   -1.96240e+06    2.65753e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12980e+02   -2.06889e+02    4.89877e+01    5.68623e-06


DD  step 248429999 load imb.: force 17.8%  pme mesh/force 0.746
           Step           Time
      248430000   496860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90072e+03    1.96305e+04    1.31134e+04    1.18744e+03   -3.12595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95456e+03    9.22017e+04    4.00996e+05   -2.34271e+04   -2.97614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68212e+04   -2.44589e+06    4.79994e+05   -1.96589e+06    2.65759e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11189e+02   -2.08012e+02    8.92252e+01    5.98591e-06


DD  step 248434999 load imb.: force 17.5%  pme mesh/force 0.783
           Step           Time
      248435000   496870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88720e+03    1.97894e+04    1.31161e+04    1.16581e+03   -2.96201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80354e+03    9.27985e+04    3.98839e+05   -2.33880e+04   -2.97447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66707e+04   -2.44575e+06    4.80431e+05   -1.96532e+06    2.65765e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11472e+02   -2.07318e+02   -1.24053e+01    5.72675e-06


DD  step 248439999 load imb.: force 17.0%  pme mesh/force 0.722
           Step           Time
      248440000   496880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96395e+03    1.94231e+04    1.28992e+04    1.17657e+03   -2.94930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87480e+03    9.21831e+04    4.02149e+05   -2.34181e+04   -2.98024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65474e+04   -2.44939e+06    4.79090e+05   -1.97030e+06    2.65770e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10603e+02   -2.07852e+02    4.36888e+01    5.82641e-06


DD  step 248444999 load imb.: force 16.1%  pme mesh/force 0.738
           Step           Time
      248445000   496890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17201e+03    1.91590e+04    1.31529e+04    1.15423e+03   -3.12713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79083e+03    9.26238e+04    4.01472e+05   -2.33910e+04   -2.97783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64827e+04   -2.44734e+06    4.78029e+05   -1.96931e+06    2.65777e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09915e+02   -2.07371e+02   -2.42605e+01    5.81495e-06


DD  step 248449999 load imb.: force 16.4%  pme mesh/force 0.700
           Step           Time
      248450000   496900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00412e+03    1.91835e+04    1.31052e+04    1.10650e+03   -3.10527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89799e+03    9.26393e+04    3.99555e+05   -2.33866e+04   -2.97662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63372e+04   -2.44829e+06    4.80787e+05   -1.96750e+06    2.65782e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11703e+02   -2.07293e+02   -3.83476e+01    5.71427e-06


DD  step 248454999 load imb.: force 16.5%  pme mesh/force 0.745
           Step           Time
      248455000   496910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11653e+03    1.95339e+04    1.30660e+04    1.25452e+03   -3.08280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70374e+03    9.22696e+04    4.00169e+05   -2.34189e+04   -2.97640e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66338e+04   -2.44715e+06    4.79656e+05   -1.96750e+06    2.65788e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10970e+02   -2.07865e+02   -2.80094e+01    5.72529e-06


DD  step 248459999 load imb.: force 15.0%  pme mesh/force 0.749
           Step           Time
      248460000   496920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28947e+03    1.94652e+04    1.30823e+04    1.20218e+03   -3.04089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80252e+03    9.23213e+04    3.99509e+05   -2.34019e+04   -2.97320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65558e+04   -2.44441e+06    4.79693e+05   -1.96472e+06    2.65794e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10993e+02   -2.07565e+02    1.80913e+01    5.56832e-06


DD  step 248464999 load imb.: force 17.7%  pme mesh/force 0.785
           Step           Time
      248465000   496930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93959e+03    1.94773e+04    1.30965e+04    1.31923e+03   -2.99908e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89698e+03    9.28490e+04    3.97878e+05   -2.33552e+04   -2.97284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67076e+04   -2.44503e+06    4.80574e+05   -1.96445e+06    2.65799e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11564e+02   -2.06738e+02   -5.70475e+01    5.75665e-06

Writing checkpoint, step 248467200 at Wed Nov  8 16:46:28 2023



DD  step 248469999 load imb.: force 16.0%  pme mesh/force 0.752
           Step           Time
      248470000   496940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94698e+03    1.88905e+04    1.31320e+04    1.22122e+03   -2.95085e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83088e+03    9.24575e+04    4.00592e+05   -2.34107e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66333e+04   -2.44761e+06    4.77362e+05   -1.97025e+06    2.65805e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09482e+02   -2.07721e+02    3.72071e+01    5.90988e-06


DD  step 248474999 load imb.: force 16.0%  pme mesh/force 0.749
           Step           Time
      248475000   496950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81253e+03    1.94367e+04    1.31975e+04    1.16658e+03   -3.08717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92478e+03    9.22744e+04    4.02570e+05   -2.33581e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67069e+04   -2.44639e+06    4.80102e+05   -1.96629e+06    2.65811e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11259e+02   -2.06789e+02    4.21421e+01    5.76469e-06


DD  step 248479999 load imb.: force 16.0%  pme mesh/force 0.736
           Step           Time
      248480000   496960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22480e+03    1.98863e+04    1.30985e+04    1.25954e+03   -3.04886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76360e+03    9.19341e+04    4.01114e+05   -2.34112e+04   -2.97695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66718e+04   -2.44646e+06    4.79559e+05   -1.96690e+06    2.65817e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.07729e+02    5.17424e+01    5.83336e-06


DD  step 248484999 load imb.: force 19.0%  pme mesh/force 0.780
           Step           Time
      248485000   496970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89012e+03    1.94006e+04    1.32207e+04    1.25450e+03   -2.98791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87682e+03    9.25544e+04    3.99914e+05   -2.33686e+04   -2.97505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64454e+04   -2.44585e+06    4.80457e+05   -1.96539e+06    2.65823e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11489e+02   -2.06975e+02    1.44759e+01    5.84804e-06


DD  step 248489999 load imb.: force 18.3%  pme mesh/force 0.744
           Step           Time
      248490000   496980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95561e+03    1.93548e+04    1.29817e+04    1.18852e+03   -3.03829e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82788e+03    9.25113e+04    4.02393e+05   -2.34170e+04   -2.98134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66468e+04   -2.44994e+06    4.79961e+05   -1.96998e+06    2.65828e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11167e+02   -2.07832e+02    4.52669e+01    5.88966e-06


DD  step 248494999 load imb.: force 16.1%  pme mesh/force 0.750
           Step           Time
      248495000   496990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33771e+03    1.94058e+04    1.29148e+04    1.12227e+03   -3.08954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86108e+03    9.25191e+04    4.00076e+05   -2.34089e+04   -2.97608e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64461e+04   -2.44690e+06    4.80592e+05   -1.96631e+06    2.65834e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11576e+02   -2.07689e+02   -1.86839e+01    5.77601e-06


DD  step 248499999 load imb.: force 16.1%  pme mesh/force 0.718
           Step           Time
      248500000   497000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21010e+03    1.95630e+04    1.31573e+04    1.33790e+03   -3.09697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77842e+03    9.21454e+04    4.01886e+05   -2.33843e+04   -2.97822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66322e+04   -2.44699e+06    4.78732e+05   -1.96826e+06    2.65840e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10370e+02   -2.07253e+02   -1.98682e+00    5.75339e-06


DD  step 248504999 load imb.: force 18.2%  pme mesh/force 0.784
           Step           Time
      248505000   497010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94501e+03    1.95730e+04    1.31405e+04    1.20835e+03   -3.08651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84253e+03    9.24696e+04    3.98727e+05   -2.33684e+04   -2.97284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65979e+04   -2.44479e+06    4.78531e+05   -1.96626e+06    2.65846e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10240e+02   -2.06972e+02   -4.59304e+01    5.73765e-06


DD  step 248509999 load imb.: force 17.0%  pme mesh/force 0.717
           Step           Time
      248510000   497020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13898e+03    1.92766e+04    1.30196e+04    1.11720e+03   -3.06821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97145e+03    9.26644e+04    3.99741e+05   -2.34388e+04   -2.97759e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66101e+04   -2.44856e+06    4.79555e+05   -1.96900e+06    2.65852e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10904e+02   -2.08218e+02    2.89021e+01    5.83929e-06


DD  step 248514999 load imb.: force 18.6%  pme mesh/force 0.739
           Step           Time
      248515000   497030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85882e+03    1.90657e+04    1.30778e+04    1.18858e+03   -3.08631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94002e+03    9.27016e+04    4.02596e+05   -2.33552e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64688e+04   -2.44763e+06    4.77299e+05   -1.97033e+06    2.65858e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09442e+02   -2.06738e+02    4.65481e+01    5.88331e-06


DD  step 248519999 load imb.: force 17.7%  pme mesh/force 0.737
           Step           Time
      248520000   497040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04685e+03    1.93848e+04    1.30752e+04    1.19685e+03   -3.02247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91757e+03    9.26203e+04    4.00431e+05   -2.33452e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65781e+04   -2.44562e+06    4.80371e+05   -1.96525e+06    2.65863e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.06561e+02   -3.89415e+00    5.80555e-06


DD  step 248524999 load imb.: force 18.3%  pme mesh/force 0.770
           Step           Time
      248525000   497050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93178e+03    1.93338e+04    1.31952e+04    1.12245e+03   -3.09624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96137e+03    9.25824e+04    3.98640e+05   -2.33643e+04   -2.97391e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63253e+04   -2.44628e+06    4.79302e+05   -1.96697e+06    2.65869e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10740e+02   -2.06899e+02   -2.98135e+00    5.80416e-06


DD  step 248529999 load imb.: force 15.6%  pme mesh/force 0.738
           Step           Time
      248530000   497060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16169e+03    1.94694e+04    1.31893e+04    1.10820e+03   -3.10223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84162e+03    9.22046e+04    3.99954e+05   -2.33415e+04   -2.97466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65697e+04   -2.44560e+06    4.80475e+05   -1.96513e+06    2.65875e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11500e+02   -2.06496e+02   -3.98264e+01    5.69205e-06


DD  step 248534999 load imb.: force 17.4%  pme mesh/force 0.756
           Step           Time
      248535000   497070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99358e+03    1.94876e+04    1.31698e+04    1.18961e+03   -3.11728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84245e+03    9.21794e+04    4.02730e+05   -2.33652e+04   -2.98036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64719e+04   -2.44878e+06    4.81211e+05   -1.96757e+06    2.65881e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11978e+02   -2.06916e+02    5.91926e+01    5.72931e-06


DD  step 248539999 load imb.: force 17.0%  pme mesh/force 0.726
           Step           Time
      248540000   497080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99700e+03    1.92158e+04    1.29986e+04    1.19930e+03   -2.97872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75969e+03    9.30057e+04    4.00453e+05   -2.33827e+04   -2.97537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64644e+04   -2.44564e+06    4.78275e+05   -1.96737e+06    2.65887e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10074e+02   -2.07224e+02   -4.17783e+01    5.92671e-06


DD  step 248544999 load imb.: force 16.9%  pme mesh/force 0.742
           Step           Time
      248545000   497090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87524e+03    1.89963e+04    1.31686e+04    1.17825e+03   -3.06140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.01668e+03    9.35723e+04    4.03172e+05   -2.34362e+04   -2.98111e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63191e+04   -2.44830e+06    4.80284e+05   -1.96802e+06    2.65893e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11376e+02   -2.08172e+02    1.45645e+02    5.59390e-06


DD  step 248549999 load imb.: force 17.7%  pme mesh/force 0.790
           Step           Time
      248550000   497100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09063e+03    1.94624e+04    1.32341e+04    1.20633e+03   -3.05578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79278e+03    9.21973e+04    3.97064e+05   -2.33417e+04   -2.97020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65849e+04   -2.44397e+06    4.79428e+05   -1.96454e+06    2.65899e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10822e+02   -2.06500e+02   -1.65833e+02    5.80254e-06


DD  step 248554999 load imb.: force 18.8%  pme mesh/force 0.771
           Step           Time
      248555000   497110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95578e+03    2.00946e+04    1.30550e+04    1.10865e+03   -3.15198e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77638e+03    9.22712e+04    3.99616e+05   -2.33649e+04   -2.97430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63614e+04   -2.44557e+06    4.80371e+05   -1.96520e+06    2.65905e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11433e+02   -2.06910e+02   -3.53570e+01    5.65489e-06


DD  step 248559999 load imb.: force 18.2%  pme mesh/force 0.763
           Step           Time
      248560000   497120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10272e+03    1.93598e+04    1.32108e+04    1.27500e+03   -3.20750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91339e+03    9.32424e+04    3.98663e+05   -2.33982e+04   -2.97484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65940e+04   -2.44608e+06    4.80945e+05   -1.96514e+06    2.65910e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11805e+02   -2.07499e+02   -8.53091e+00    5.80857e-06


DD  step 248564999 load imb.: force 19.0%  pme mesh/force 0.783
           Step           Time
      248565000   497130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81417e+03    1.93059e+04    1.31011e+04    1.10359e+03   -3.14913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82781e+03    9.24989e+04    3.98849e+05   -2.33478e+04   -2.97741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65878e+04   -2.44982e+06    4.78434e+05   -1.97139e+06    2.65915e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10177e+02   -2.06607e+02   -8.27798e+01    5.68510e-06


DD  step 248569999 load imb.: force 15.2%  pme mesh/force 0.746
           Step           Time
      248570000   497140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84710e+03    1.91106e+04    1.32256e+04    1.24726e+03   -3.11245e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77818e+03    9.31509e+04    3.99415e+05   -2.33610e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65521e+04   -2.44688e+06    4.80337e+05   -1.96654e+06    2.65921e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11411e+02   -2.06841e+02   -6.73758e+01    5.78497e-06


DD  step 248574999 load imb.: force 16.3%  pme mesh/force 0.759
           Step           Time
      248575000   497150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16055e+03    1.93495e+04    1.30265e+04    1.20185e+03   -3.12708e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68647e+03    9.26382e+04    4.02244e+05   -2.33794e+04   -2.97856e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63047e+04   -2.44746e+06    4.81231e+05   -1.96622e+06    2.65927e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11990e+02   -2.07166e+02    5.26325e+01    5.86261e-06


DD  step 248579999 load imb.: force 16.8%  pme mesh/force 0.772
           Step           Time
      248580000   497160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97504e+03    1.94869e+04    1.31023e+04    1.33603e+03   -3.01846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86572e+03    9.31697e+04    3.99368e+05   -2.34009e+04   -2.97633e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64438e+04   -2.44700e+06    4.79529e+05   -1.96747e+06    2.65933e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.07547e+02   -1.77862e+01    5.72712e-06


DD  step 248584999 load imb.: force 16.8%  pme mesh/force 0.746
           Step           Time
      248585000   497170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00610e+03    1.96122e+04    1.30816e+04    1.17610e+03   -2.95870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98318e+03    9.30309e+04    4.00409e+05   -2.33748e+04   -2.97628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64895e+04   -2.44582e+06    4.80007e+05   -1.96581e+06    2.65939e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11197e+02   -2.07085e+02    5.08039e+01    5.89638e-06


DD  step 248589999 load imb.: force 18.1%  pme mesh/force 0.785
           Step           Time
      248590000   497180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91093e+03    1.99331e+04    1.29672e+04    1.12833e+03   -3.03803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96423e+03    9.31134e+04    3.99913e+05   -2.33636e+04   -2.97445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64782e+04   -2.44444e+06    4.80847e+05   -1.96359e+06    2.65945e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11742e+02   -2.06887e+02    6.91066e+00    5.81624e-06


DD  step 248594999 load imb.: force 16.7%  pme mesh/force 0.733
           Step           Time
      248595000   497190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80487e+03    1.94948e+04    1.32405e+04    1.18841e+03   -2.99132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80825e+03    9.32251e+04    4.00920e+05   -2.33608e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66870e+04   -2.44655e+06    4.78714e+05   -1.96784e+06    2.65951e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10359e+02   -2.06837e+02   -1.24536e+01    5.75781e-06


DD  step 248599999 load imb.: force 20.0%  pme mesh/force 0.763
           Step           Time
      248600000   497200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92506e+03    1.94688e+04    1.30691e+04    1.20088e+03   -2.92540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77038e+03    9.28767e+04    3.99960e+05   -2.33295e+04   -2.97442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64569e+04   -2.44494e+06    4.79906e+05   -1.96504e+06    2.65956e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11132e+02   -2.06284e+02   -5.04546e+01    5.87493e-06


DD  step 248604999 load imb.: force 17.5%  pme mesh/force 0.736
           Step           Time
      248605000   497210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95854e+03    1.96066e+04    1.29993e+04    1.20944e+03   -2.97902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76233e+03    9.29833e+04    4.00423e+05   -2.33698e+04   -2.97660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65879e+04   -2.44642e+06    4.77524e+05   -1.96890e+06    2.65963e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09587e+02   -2.06997e+02   -1.24756e+01    5.73908e-06


DD  step 248609999 load imb.: force 17.7%  pme mesh/force 0.748
           Step           Time
      248610000   497220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23827e+03    1.95790e+04    1.30413e+04    1.19513e+03   -3.12526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76800e+03    9.28237e+04    4.02381e+05   -2.33751e+04   -2.97912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66048e+04   -2.44699e+06    4.80621e+05   -1.96637e+06    2.65968e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11595e+02   -2.07089e+02    5.98057e+01    5.75097e-06


DD  step 248614999 load imb.: force 17.1%  pme mesh/force 0.773
           Step           Time
      248615000   497230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97110e+03    1.94043e+04    1.29719e+04    1.12364e+03   -3.09517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80903e+03    9.31431e+04    4.02958e+05   -2.34129e+04   -2.98079e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64614e+04   -2.44846e+06    4.79389e+05   -1.96907e+06    2.65974e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10797e+02   -2.07759e+02    5.93931e+01    5.63817e-06


DD  step 248619999 load imb.: force 17.3%  pme mesh/force 0.742
           Step           Time
      248620000   497240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87628e+03    1.92570e+04    1.29561e+04    1.19637e+03   -2.93401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87100e+03    9.26932e+04    4.00638e+05   -2.33993e+04   -2.97494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65976e+04   -2.44518e+06    4.79704e+05   -1.96548e+06    2.65979e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11001e+02   -2.07519e+02    7.74827e+01    5.79011e-06


DD  step 248624999 load imb.: force 16.2%  pme mesh/force 0.752
           Step           Time
      248625000   497250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98129e+03    1.94735e+04    1.30786e+04    1.25306e+03   -3.12471e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86882e+03    9.27369e+04    4.02175e+05   -2.33971e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66221e+04   -2.44598e+06    4.80716e+05   -1.96526e+06    2.65985e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11657e+02   -2.07480e+02    8.02890e+01    5.79012e-06


DD  step 248629999 load imb.: force 15.9%  pme mesh/force 0.754
           Step           Time
      248630000   497260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91187e+03    1.93815e+04    1.30165e+04    1.15584e+03   -3.05280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80782e+03    9.27271e+04    4.03271e+05   -2.34550e+04   -2.98037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64922e+04   -2.44812e+06    4.80676e+05   -1.96744e+06    2.65991e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11631e+02   -2.08506e+02    1.27089e+02    5.74624e-06


DD  step 248634999 load imb.: force 17.6%  pme mesh/force 0.757
           Step           Time
      248635000   497270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.40796e+03    1.92738e+04    1.28325e+04    1.21723e+03   -3.06227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74159e+03    9.26204e+04    3.99368e+05   -2.33851e+04   -2.97469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66998e+04   -2.44598e+06    4.79960e+05   -1.96602e+06    2.65996e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11167e+02   -2.07267e+02   -3.04494e+01    5.83894e-06


DD  step 248639999 load imb.: force 16.2%  pme mesh/force 0.707
           Step           Time
      248640000   497280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93933e+03    1.97128e+04    1.31663e+04    1.15224e+03   -3.01880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81955e+03    9.24020e+04    4.02080e+05   -2.34157e+04   -2.98007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63463e+04   -2.44889e+06    4.79574e+05   -1.96931e+06    2.66003e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10916e+02   -2.07809e+02    3.30795e+01    5.81697e-06


DD  step 248644999 load imb.: force 16.9%  pme mesh/force 0.736
           Step           Time
      248645000   497290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96310e+03    1.93212e+04    1.32417e+04    1.20450e+03   -3.00573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87789e+03    9.28207e+04    3.98748e+05   -2.34098e+04   -2.97801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64532e+04   -2.44980e+06    4.79132e+05   -1.97066e+06    2.66009e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.07705e+02   -5.28630e+01    5.78735e-06


DD  step 248649999 load imb.: force 17.6%  pme mesh/force 0.726
           Step           Time
      248650000   497300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96742e+03    1.93594e+04    1.29650e+04    1.19581e+03   -3.00473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88242e+03    9.31781e+04    4.00298e+05   -2.33962e+04   -2.97820e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64754e+04   -2.44828e+06    4.78946e+05   -1.96933e+06    2.66014e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10509e+02   -2.07464e+02    2.63026e+01    5.95251e-06


DD  step 248654999 load imb.: force 16.4%  pme mesh/force 0.726
           Step           Time
      248655000   497310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07244e+03    1.93646e+04    1.30966e+04    1.21302e+03   -3.02189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80795e+03    9.29679e+04    4.00763e+05   -2.34062e+04   -2.97508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64966e+04   -2.44473e+06    4.79382e+05   -1.96534e+06    2.66020e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10792e+02   -2.07642e+02    2.71338e+01    5.88154e-06


DD  step 248659999 load imb.: force 16.6%  pme mesh/force 0.737
           Step           Time
      248660000   497320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00626e+03    1.90083e+04    1.30459e+04    1.15903e+03   -3.04487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84833e+03    9.28167e+04    3.98294e+05   -2.33809e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67434e+04   -2.44966e+06    4.78962e+05   -1.97070e+06    2.66025e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10520e+02   -2.07192e+02   -1.08776e+02    5.65871e-06


DD  step 248664999 load imb.: force 14.8%  pme mesh/force 0.722
           Step           Time
      248665000   497330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95260e+03    1.91454e+04    1.31376e+04    1.11689e+03   -2.96960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79923e+03    9.26103e+04    4.03017e+05   -2.34221e+04   -2.98240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62939e+04   -2.45071e+06    4.79498e+05   -1.97122e+06    2.66031e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10867e+02   -2.07922e+02    5.84684e+01    5.76446e-06


DD  step 248669999 load imb.: force 16.2%  pme mesh/force 0.715
           Step           Time
      248670000   497340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81102e+03    1.94370e+04    1.31721e+04    1.15582e+03   -3.10709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98732e+03    9.29917e+04    4.01543e+05   -2.33706e+04   -2.97809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65723e+04   -2.44690e+06    4.79585e+05   -1.96731e+06    2.66037e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10923e+02   -2.07010e+02    9.07009e+01    5.77326e-06


DD  step 248674999 load imb.: force 16.5%  pme mesh/force 0.730
           Step           Time
      248675000   497350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15920e+03    1.92517e+04    1.31181e+04    1.16731e+03   -3.04867e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81354e+03    9.27527e+04    4.00769e+05   -2.34016e+04   -2.97959e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64752e+04   -2.44954e+06    4.79176e+05   -1.97036e+06    2.66043e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10658e+02   -2.07559e+02   -2.13428e+01    5.75277e-06


DD  step 248679999 load imb.: force 17.6%  pme mesh/force 0.746
           Step           Time
      248680000   497360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00320e+03    1.96722e+04    1.31957e+04    1.22250e+03   -3.00876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75548e+03    9.25856e+04    4.00254e+05   -2.34484e+04   -2.97803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63363e+04   -2.44846e+06    4.81443e+05   -1.96702e+06    2.66049e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12128e+02   -2.08390e+02   -1.58004e+01    5.85264e-06


DD  step 248684999 load imb.: force 16.3%  pme mesh/force 0.703
           Step           Time
      248685000   497370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02206e+03    1.93343e+04    1.30808e+04    1.18158e+03   -3.10492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69637e+03    9.26229e+04    4.03831e+05   -2.34285e+04   -2.97998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63031e+04   -2.44744e+06    4.79550e+05   -1.96789e+06    2.66054e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.08036e+02    1.46296e+02    5.85097e-06


DD  step 248689999 load imb.: force 16.2%  pme mesh/force 0.727
           Step           Time
      248690000   497380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86215e+03    1.93190e+04    1.30562e+04    1.09172e+03   -3.10673e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85033e+03    9.26652e+04    3.98844e+05   -2.33548e+04   -2.97386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64533e+04   -2.44618e+06    4.79234e+05   -1.96694e+06    2.66060e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10696e+02   -2.06731e+02   -5.16963e+01    5.80806e-06


DD  step 248694999 load imb.: force 17.0%  pme mesh/force 0.720
           Step           Time
      248695000   497390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90358e+03    1.92845e+04    1.31433e+04    1.20820e+03   -3.02713e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89396e+03    9.24848e+04    3.98184e+05   -2.33622e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63071e+04   -2.44983e+06    4.77480e+05   -1.97235e+06    2.66066e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09559e+02   -2.06862e+02   -1.02488e+02    5.86815e-06


DD  step 248699999 load imb.: force 17.0%  pme mesh/force 0.751
           Step           Time
      248700000   497400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16393e+03    1.94006e+04    1.30485e+04    1.23073e+03   -3.03237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81526e+03    9.26380e+04    3.98301e+05   -2.34039e+04   -2.97317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66086e+04   -2.44540e+06    4.80752e+05   -1.96464e+06    2.66072e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11680e+02   -2.07600e+02    7.44034e+00    6.04665e-06


DD  step 248704999 load imb.: force 17.3%  pme mesh/force 0.753
           Step           Time
      248705000   497410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87747e+03    1.92965e+04    1.31147e+04    1.11553e+03   -3.18045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87221e+03    9.30767e+04    4.02051e+05   -2.34137e+04   -2.97890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64789e+04   -2.44761e+06    4.81709e+05   -1.96590e+06    2.66078e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12300e+02   -2.07774e+02    6.66462e+01    5.80873e-06


DD  step 248709999 load imb.: force 15.2%  pme mesh/force 0.737
           Step           Time
      248710000   497420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92701e+03    1.95866e+04    1.31803e+04    1.15640e+03   -3.04760e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77093e+03    9.25571e+04    3.98828e+05   -2.33915e+04   -2.97397e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65908e+04   -2.44582e+06    4.79173e+05   -1.96664e+06    2.66083e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10656e+02   -2.07381e+02   -4.56274e+01    5.65856e-06


DD  step 248714999 load imb.: force 18.1%  pme mesh/force 0.734
           Step           Time
      248715000   497430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09213e+03    1.91702e+04    1.30809e+04    1.19711e+03   -3.07066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91953e+03    9.24961e+04    3.99025e+05   -2.33639e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65870e+04   -2.44875e+06    4.79001e+05   -1.96975e+06    2.66089e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10545e+02   -2.06892e+02   -6.48980e+01    5.51535e-06


DD  step 248719999 load imb.: force 18.7%  pme mesh/force 0.776
           Step           Time
      248720000   497440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96483e+03    1.96147e+04    1.31594e+04    1.22890e+03   -3.13141e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.04055e+03    9.25062e+04    3.99692e+05   -2.34071e+04   -2.97509e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63354e+04   -2.44609e+06    4.78262e+05   -1.96783e+06    2.66095e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10066e+02   -2.07658e+02    4.55679e+01    5.85992e-06


DD  step 248724999 load imb.: force 18.3%  pme mesh/force 0.763
           Step           Time
      248725000   497450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92568e+03    1.95243e+04    1.30353e+04    1.18352e+03   -3.09674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89617e+03    9.25134e+04    4.01607e+05   -2.34251e+04   -2.97697e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64904e+04   -2.44631e+06    4.79012e+05   -1.96730e+06    2.66101e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10552e+02   -2.07976e+02    9.82753e+01    5.59992e-06


DD  step 248729999 load imb.: force 17.8%  pme mesh/force 0.776
           Step           Time
      248730000   497460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19104e+03    1.98098e+04    1.31510e+04    1.13499e+03   -3.10194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80873e+03    9.25993e+04    4.00072e+05   -2.33585e+04   -2.97403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67271e+04   -2.44400e+06    4.79779e+05   -1.96422e+06    2.66107e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11049e+02   -2.06797e+02   -2.90707e+01    5.90730e-06


DD  step 248734999 load imb.: force 17.5%  pme mesh/force 0.745
           Step           Time
      248735000   497470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99052e+03    1.94003e+04    1.28993e+04    1.07759e+03   -3.02486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83260e+03    9.26934e+04    4.02122e+05   -2.34080e+04   -2.97947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64808e+04   -2.44841e+06    4.80094e+05   -1.96831e+06    2.66113e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11253e+02   -2.07673e+02    8.62239e+01    5.73904e-06


DD  step 248739999 load imb.: force 17.3%  pme mesh/force 0.728
           Step           Time
      248740000   497480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08083e+03    1.95048e+04    1.31225e+04    1.14712e+03   -3.07429e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85628e+03    9.29114e+04    4.00901e+05   -2.33988e+04   -2.97654e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66203e+04   -2.44587e+06    4.79558e+05   -1.96631e+06    2.66118e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10906e+02   -2.07510e+02    3.71578e+01    5.74211e-06


DD  step 248744999 load imb.: force 16.0%  pme mesh/force 0.716
           Step           Time
      248745000   497490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91214e+03    1.93438e+04    1.30099e+04    1.22307e+03   -3.09147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86924e+03    9.30407e+04    3.97376e+05   -2.33986e+04   -2.97337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64248e+04   -2.44666e+06    4.80758e+05   -1.96590e+06    2.66124e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11684e+02   -2.07505e+02   -9.58840e+01    5.84019e-06


DD  step 248749999 load imb.: force 19.1%  pme mesh/force 0.776
           Step           Time
      248750000   497500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.27705e+03    1.93310e+04    1.31330e+04    1.25420e+03   -3.20194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93922e+03    9.27834e+04    4.00045e+05   -2.33941e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64721e+04   -2.44515e+06    4.81837e+05   -1.96331e+06    2.66130e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12384e+02   -2.07426e+02    5.04535e+01    5.79169e-06


DD  step 248754999 load imb.: force 17.9%  pme mesh/force 0.727
           Step           Time
      248755000   497510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17901e+03    1.93326e+04    1.30678e+04    1.18880e+03   -2.99147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80059e+03    9.23509e+04    3.99671e+05   -2.33827e+04   -2.97569e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64732e+04   -2.44700e+06    4.79746e+05   -1.96726e+06    2.66135e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.07224e+02   -6.68015e+01    5.92427e-06


DD  step 248759999 load imb.: force 17.7%  pme mesh/force 0.777
           Step           Time
      248760000   497520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00261e+03    1.90117e+04    1.32951e+04    1.20731e+03   -3.11653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86414e+03    9.26065e+04    4.01561e+05   -2.33667e+04   -2.97799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65673e+04   -2.44735e+06    4.80317e+05   -1.96704e+06    2.66141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11398e+02   -2.06942e+02    1.23103e+01    5.94536e-06


DD  step 248764999 load imb.: force 17.4%  pme mesh/force 0.716
           Step           Time
      248765000   497530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00302e+03    1.91755e+04    1.30796e+04    1.29391e+03   -2.96194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89936e+03    9.26360e+04    3.98238e+05   -2.33949e+04   -2.97686e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66714e+04   -2.44922e+06    4.78767e+05   -1.97045e+06    2.66147e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10393e+02   -2.07441e+02   -1.01507e+02    5.60916e-06


DD  step 248769999 load imb.: force 17.7%  pme mesh/force 0.730
           Step           Time
      248770000   497540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01713e+03    1.93910e+04    1.29845e+04    1.16880e+03   -3.00376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81610e+03    9.28180e+04    3.99547e+05   -2.33575e+04   -2.97587e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65271e+04   -2.44696e+06    4.79559e+05   -1.96740e+06    2.66153e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.06779e+02   -5.85045e+01    5.97543e-06


DD  step 248774999 load imb.: force 16.7%  pme mesh/force 0.742
           Step           Time
      248775000   497550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96347e+03    1.91585e+04    1.29491e+04    1.13158e+03   -3.10464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96091e+03    9.24669e+04    4.00711e+05   -2.33994e+04   -2.97750e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62192e+04   -2.44844e+06    4.80058e+05   -1.96838e+06    2.66159e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11230e+02   -2.07520e+02    5.04561e+01    5.87013e-06


DD  step 248779999 load imb.: force 17.7%  pme mesh/force 0.717
           Step           Time
      248780000   497560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96797e+03    1.90697e+04    1.31575e+04    1.23698e+03   -3.07409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76329e+03    9.29189e+04    4.02019e+05   -2.33160e+04   -2.98058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65910e+04   -2.44924e+06    4.79949e+05   -1.96930e+06    2.66165e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11160e+02   -2.06046e+02   -1.31662e+01    5.81439e-06


DD  step 248784999 load imb.: force 18.8%  pme mesh/force 0.781
           Step           Time
      248785000   497570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90832e+03    1.92325e+04    1.30737e+04    1.25221e+03   -3.08459e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90590e+03    9.24674e+04    3.99964e+05   -2.33131e+04   -2.97529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65503e+04   -2.44633e+06    4.77648e+05   -1.96868e+06    2.66171e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09668e+02   -2.05994e+02   -3.61220e+01    5.74442e-06


DD  step 248789999 load imb.: force 15.4%  pme mesh/force 0.739
           Step           Time
      248790000   497580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19080e+03    1.94643e+04    1.34047e+04    1.21865e+03   -3.12145e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80179e+03    9.23171e+04    3.99621e+05   -2.33929e+04   -2.97650e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64936e+04   -2.44751e+06    4.81088e+05   -1.96642e+06    2.66177e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11898e+02   -2.07404e+02   -2.43715e+01    5.90584e-06


DD  step 248794999 load imb.: force 17.7%  pme mesh/force 0.708
           Step           Time
      248795000   497590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98194e+03    1.93816e+04    1.31183e+04    1.13015e+03   -3.12926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80739e+03    9.27365e+04    3.99873e+05   -2.33905e+04   -2.97541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63981e+04   -2.44650e+06    4.79070e+05   -1.96743e+06    2.66182e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10590e+02   -2.07362e+02   -5.69622e+01    5.87034e-06

Writing checkpoint, step 248795900 at Wed Nov  8 17:01:28 2023



DD  step 248799999 load imb.: force 17.1%  pme mesh/force 0.752
           Step           Time
      248800000   497600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69596e+03    1.90841e+04    1.31758e+04    1.16676e+03   -3.19322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94519e+03    9.29959e+04    4.00573e+05   -2.33980e+04   -2.97703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65759e+04   -2.44741e+06    4.78592e+05   -1.96881e+06    2.66188e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10280e+02   -2.07495e+02    4.61207e+01    5.84495e-06


DD  step 248804999 load imb.: force 15.1%  pme mesh/force 0.718
           Step           Time
      248805000   497610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17061e+03    1.91177e+04    1.32911e+04    1.23580e+03   -3.09975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93224e+03    9.29493e+04    4.04796e+05   -2.34135e+04   -2.98380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65542e+04   -2.44927e+06    4.80031e+05   -1.96923e+06    2.66194e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.07771e+02    1.36478e+02    5.72012e-06


DD  step 248809999 load imb.: force 17.0%  pme mesh/force 0.742
           Step           Time
      248810000   497620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83459e+03    1.92030e+04    1.30448e+04    1.17644e+03   -2.98786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93961e+03    9.25910e+04    3.98128e+05   -2.34268e+04   -2.97363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65776e+04   -2.44655e+06    4.79879e+05   -1.96667e+06    2.66200e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11114e+02   -2.08006e+02   -2.79755e+00    5.86186e-06


DD  step 248814999 load imb.: force 17.3%  pme mesh/force 0.723
           Step           Time
      248815000   497630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04630e+03    1.93820e+04    1.31274e+04    1.18414e+03   -3.06739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81357e+03    9.22978e+04    4.00556e+05   -2.34029e+04   -2.97816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63207e+04   -2.44890e+06    4.78755e+05   -1.97015e+06    2.66206e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10385e+02   -2.07582e+02   -1.41614e+01    5.60968e-06


DD  step 248819999 load imb.: force 15.4%  pme mesh/force 0.698
           Step           Time
      248820000   497640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17529e+03    1.93808e+04    1.31239e+04    1.17542e+03   -3.09035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74039e+03    9.21394e+04    4.00409e+05   -2.34181e+04   -2.97781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64922e+04   -2.44868e+06    4.78009e+05   -1.97068e+06    2.66212e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09902e+02   -2.07852e+02   -6.74923e+01    5.60204e-06


DD  step 248824999 load imb.: force 18.0%  pme mesh/force 0.772
           Step           Time
      248825000   497650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90464e+03    1.95158e+04    1.30185e+04    1.08742e+03   -3.03148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83408e+03    9.21066e+04    4.01369e+05   -2.33757e+04   -2.97627e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66322e+04   -2.44620e+06    4.77296e+05   -1.96891e+06    2.66218e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09439e+02   -2.07100e+02    7.00106e+01    5.74812e-06


DD  step 248829999 load imb.: force 17.0%  pme mesh/force 0.748
           Step           Time
      248830000   497660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97113e+03    1.95577e+04    1.30145e+04    1.14703e+03   -3.10885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89885e+03    9.27023e+04    4.01779e+05   -2.33675e+04   -2.97713e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65374e+04   -2.44599e+06    4.81945e+05   -1.96405e+06    2.66224e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12453e+02   -2.06956e+02    4.34865e+01    5.84478e-06


DD  step 248834999 load imb.: force 16.6%  pme mesh/force 0.721
           Step           Time
      248835000   497670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89865e+03    1.90704e+04    1.28496e+04    1.18092e+03   -3.03082e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92644e+03    9.19759e+04    3.98438e+05   -2.33992e+04   -2.97516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63615e+04   -2.44889e+06    4.79909e+05   -1.96898e+06    2.66229e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11134e+02   -2.07516e+02   -4.22339e+01    5.69992e-06


DD  step 248839999 load imb.: force 17.4%  pme mesh/force 0.756
           Step           Time
      248840000   497680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82899e+03    1.91316e+04    1.29714e+04    1.11398e+03   -3.02207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84664e+03    9.26708e+04    3.98423e+05   -2.33669e+04   -2.97415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66519e+04   -2.44690e+06    4.78089e+05   -1.96881e+06    2.66235e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09954e+02   -2.06946e+02   -1.12616e+02    5.69208e-06


DD  step 248844999 load imb.: force 18.8%  pme mesh/force 0.775
           Step           Time
      248845000   497690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10382e+03    1.95416e+04    1.30125e+04    1.16349e+03   -3.02281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78337e+03    9.22034e+04    3.99412e+05   -2.33734e+04   -2.97604e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65860e+04   -2.44763e+06    4.79618e+05   -1.96801e+06    2.66241e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10945e+02   -2.07060e+02   -4.07353e+01    5.69492e-06


DD  step 248849999 load imb.: force 17.2%  pme mesh/force 0.772
           Step           Time
      248850000   497700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07520e+03    1.93411e+04    1.30132e+04    1.23460e+03   -3.00596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95152e+03    9.25328e+04    4.01435e+05   -2.34413e+04   -2.97963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64514e+04   -2.44904e+06    4.79503e+05   -1.96954e+06    2.66247e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10870e+02   -2.08263e+02    9.08954e+01    5.84540e-06


DD  step 248854999 load imb.: force 16.2%  pme mesh/force 0.747
           Step           Time
      248855000   497710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08766e+03    1.97557e+04    1.31511e+04    1.16002e+03   -3.08531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79235e+03    9.23482e+04    3.99341e+05   -2.33764e+04   -2.97294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63534e+04   -2.44442e+06    4.78826e+05   -1.96559e+06    2.66253e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10431e+02   -2.07113e+02   -3.00214e+01    5.88938e-06


DD  step 248859999 load imb.: force 18.1%  pme mesh/force 0.752
           Step           Time
      248860000   497720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95174e+03    1.92492e+04    1.31384e+04    1.23426e+03   -2.96786e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82407e+03    9.26019e+04    4.00044e+05   -2.33532e+04   -2.97588e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66157e+04   -2.44655e+06    4.80319e+05   -1.96623e+06    2.66259e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11399e+02   -2.06702e+02   -3.72009e+01    5.83329e-06


DD  step 248864999 load imb.: force 17.2%  pme mesh/force 0.743
           Step           Time
      248865000   497730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03652e+03    1.91721e+04    1.31584e+04    1.17334e+03   -3.08832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87970e+03    9.28473e+04    4.01928e+05   -2.34132e+04   -2.98004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67001e+04   -2.44865e+06    4.78496e+05   -1.97015e+06    2.66264e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10217e+02   -2.07765e+02    3.00553e+01    5.61690e-06


DD  step 248869999 load imb.: force 16.8%  pme mesh/force 0.706
           Step           Time
      248870000   497740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90389e+03    1.95870e+04    1.29608e+04    1.20160e+03   -3.09005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96949e+03    9.21392e+04    3.98241e+05   -2.34016e+04   -2.97206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63820e+04   -2.44517e+06    4.79110e+05   -1.96606e+06    2.66270e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10615e+02   -2.07559e+02    1.00736e+01    5.64106e-06


DD  step 248874999 load imb.: force 16.2%  pme mesh/force 0.758
           Step           Time
      248875000   497750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29021e+03    1.93802e+04    1.31096e+04    1.19668e+03   -3.06674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73414e+03    9.19816e+04    4.02110e+05   -2.33583e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65978e+04   -2.44810e+06    4.80052e+05   -1.96805e+06    2.66276e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11226e+02   -2.06793e+02   -5.60308e+01    5.70397e-06


DD  step 248879999 load imb.: force 15.2%  pme mesh/force 0.713
           Step           Time
      248880000   497760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10269e+03    1.96419e+04    1.32014e+04    1.16587e+03   -3.15201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84287e+03    9.14857e+04    3.97742e+05   -2.33980e+04   -2.97544e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65069e+04   -2.44930e+06    4.82132e+05   -1.96717e+06    2.66282e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12575e+02   -2.07496e+02   -7.32808e+01    5.71049e-06


DD  step 248884999 load imb.: force 17.8%  pme mesh/force 0.772
           Step           Time
      248885000   497770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94654e+03    1.94211e+04    1.30098e+04    1.13824e+03   -3.09550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97785e+03    9.22447e+04    4.00897e+05   -2.33653e+04   -2.97413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65399e+04   -2.44441e+06    4.76864e+05   -1.96755e+06    2.66288e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09159e+02   -2.06917e+02    6.86771e+01    5.63309e-06


DD  step 248889999 load imb.: force 17.2%  pme mesh/force 0.754
           Step           Time
      248890000   497780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88446e+03    1.92733e+04    1.30503e+04    1.09850e+03   -3.01865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92674e+03    9.20192e+04    4.01869e+05   -2.33588e+04   -2.97878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64680e+04   -2.44857e+06    4.78572e+05   -1.97000e+06    2.66293e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10267e+02   -2.06803e+02   -3.08242e+01    5.85354e-06


DD  step 248894999 load imb.: force 14.5%  pme mesh/force 0.713
           Step           Time
      248895000   497790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14915e+03    1.95604e+04    1.32682e+04    1.22040e+03   -3.12392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77535e+03    9.20090e+04    4.02565e+05   -2.34067e+04   -2.98016e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64546e+04   -2.44869e+06    4.78665e+05   -1.97002e+06    2.66300e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10327e+02   -2.07650e+02    6.46699e+01    5.63821e-06


DD  step 248899999 load imb.: force 16.1%  pme mesh/force 0.752
           Step           Time
      248900000   497800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.83494e+03    1.96622e+04    1.30310e+04    1.20647e+03   -3.12674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79961e+03    9.22171e+04    3.98921e+05   -2.33334e+04   -2.97418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64537e+04   -2.44652e+06    4.79418e+05   -1.96710e+06    2.66305e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10816e+02   -2.06353e+02   -7.21499e+01    5.68431e-06


DD  step 248904999 load imb.: force 16.1%  pme mesh/force 0.714
           Step           Time
      248905000   497810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.23363e+03    1.92109e+04    1.30219e+04    1.22368e+03   -2.98634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81418e+03    9.22790e+04    4.01180e+05   -2.33538e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66562e+04   -2.44732e+06    4.78485e+05   -1.96883e+06    2.66311e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10210e+02   -2.06714e+02   -6.01036e+00    5.77347e-06


DD  step 248909999 load imb.: force 14.7%  pme mesh/force 0.704
           Step           Time
      248910000   497820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09737e+03    1.93980e+04    1.29606e+04    1.18748e+03   -3.00103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72606e+03    9.21196e+04    3.98998e+05   -2.34073e+04   -2.97926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64697e+04   -2.45171e+06    4.79482e+05   -1.97223e+06    2.66316e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.07661e+02   -1.37870e+02    5.63258e-06


DD  step 248914999 load imb.: force 17.8%  pme mesh/force 0.751
           Step           Time
      248915000   497830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99362e+03    1.89960e+04    1.30952e+04    1.18312e+03   -3.03078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93111e+03    9.20156e+04    4.01684e+05   -2.34084e+04   -2.98058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64877e+04   -2.45063e+06    4.78416e+05   -1.97222e+06    2.66323e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10166e+02   -2.07680e+02   -2.38522e+01    5.71578e-06


DD  step 248919999 load imb.: force 19.2%  pme mesh/force 0.787
           Step           Time
      248920000   497840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20585e+03    1.91412e+04    1.30105e+04    1.17682e+03   -3.07873e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88478e+03    9.22427e+04    4.01869e+05   -2.33750e+04   -2.97972e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66563e+04   -2.44898e+06    4.79721e+05   -1.96926e+06    2.66328e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11012e+02   -2.07089e+02    3.93153e+01    5.66669e-06


DD  step 248924999 load imb.: force 16.2%  pme mesh/force 0.717
           Step           Time
      248925000   497850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94913e+03    1.94235e+04    1.29493e+04    1.11962e+03   -3.06846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87866e+03    9.30177e+04    3.99410e+05   -2.33557e+04   -2.97249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64184e+04   -2.44375e+06    4.79748e+05   -1.96400e+06    2.66334e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11029e+02   -2.06748e+02    3.63644e+01    5.69578e-06


DD  step 248929999 load imb.: force 13.2%  pme mesh/force 0.720
           Step           Time
      248930000   497860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36957e+03    1.95167e+04    1.29978e+04    1.17403e+03   -3.04403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69812e+03    9.19450e+04    3.99271e+05   -2.33576e+04   -2.97283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64756e+04   -2.44478e+06    4.80132e+05   -1.96465e+06    2.66340e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11278e+02   -2.06780e+02   -5.24751e+01    5.66276e-06


DD  step 248934999 load imb.: force 16.6%  pme mesh/force 0.811
           Step           Time
      248935000   497870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06279e+03    1.97669e+04    1.31749e+04    1.28671e+03   -3.00619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81393e+03    9.18206e+04    3.99468e+05   -2.34019e+04   -2.97539e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64375e+04   -2.44697e+06    4.80747e+05   -1.96622e+06    2.66346e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11677e+02   -2.07565e+02    1.54811e+01    5.63553e-06


DD  step 248939999 load imb.: force 15.4%  pme mesh/force 0.740
           Step           Time
      248940000   497880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97412e+03    1.95213e+04    1.29267e+04    1.16478e+03   -2.95980e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92451e+03    9.23962e+04    3.98526e+05   -2.33527e+04   -2.97197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65585e+04   -2.44429e+06    4.79671e+05   -1.96462e+06    2.66352e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10980e+02   -2.06693e+02   -2.28418e+01    5.75711e-06


DD  step 248944999 load imb.: force 15.8%  pme mesh/force 0.732
           Step           Time
      248945000   497890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11579e+03    1.97938e+04    1.31354e+04    1.18559e+03   -3.10135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94147e+03    9.23351e+04    3.99901e+05   -2.33606e+04   -2.97380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65102e+04   -2.44434e+06    4.81968e+05   -1.96237e+06    2.66358e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12468e+02   -2.06833e+02    3.31146e-01    5.64168e-06


DD  step 248949999 load imb.: force 16.1%  pme mesh/force 0.731
           Step           Time
      248950000   497900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98470e+03    1.91135e+04    1.31623e+04    1.14446e+03   -3.13166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90321e+03    9.28867e+04    3.97157e+05   -2.33386e+04   -2.97207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.68278e+04   -2.44536e+06    4.79096e+05   -1.96627e+06    2.66363e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10606e+02   -2.06445e+02   -1.40893e+02    5.66131e-06


DD  step 248954999 load imb.: force 16.2%  pme mesh/force 0.748
           Step           Time
      248955000   497910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06141e+03    1.91039e+04    1.28287e+04    1.11394e+03   -2.89354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86232e+03    9.24737e+04    4.00538e+05   -2.33234e+04   -2.97845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64706e+04   -2.44921e+06    4.78023e+05   -1.97119e+06    2.66369e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09911e+02   -2.06176e+02   -4.22691e+01    5.67741e-06


DD  step 248959999 load imb.: force 16.1%  pme mesh/force 0.729
           Step           Time
      248960000   497920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17467e+03    1.96094e+04    1.30642e+04    1.21658e+03   -3.03667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78237e+03    9.24034e+04    3.99567e+05   -2.33876e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66217e+04   -2.44821e+06    4.82016e+05   -1.96620e+06    2.66375e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12500e+02   -2.07312e+02   -2.33669e+01    5.52599e-06


DD  step 248964999 load imb.: force 17.2%  pme mesh/force 0.719
           Step           Time
      248965000   497930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11222e+03    1.90647e+04    1.31792e+04    1.20369e+03   -3.12631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83856e+03    9.24937e+04    4.02958e+05   -2.33505e+04   -2.98008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67797e+04   -2.44793e+06    4.77595e+05   -1.97033e+06    2.66381e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09633e+02   -2.06654e+02    3.09797e+01    5.68504e-06


DD  step 248969999 load imb.: force 14.7%  pme mesh/force 0.736
           Step           Time
      248970000   497940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91003e+03    1.93560e+04    1.28479e+04    1.08599e+03   -3.07974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72816e+03    9.27008e+04    3.96769e+05   -2.33180e+04   -2.97157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65382e+04   -2.44603e+06    4.78986e+05   -1.96705e+06    2.66386e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.06081e+02   -1.21037e+02    5.78015e-06


DD  step 248974999 load imb.: force 18.1%  pme mesh/force 0.754
           Step           Time
      248975000   497950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.28423e+03    1.95837e+04    1.30336e+04    1.28003e+03   -3.01433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74731e+03    9.20926e+04    3.98357e+05   -2.33717e+04   -2.97310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66498e+04   -2.44546e+06    4.78543e+05   -1.96691e+06    2.66393e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10248e+02   -2.07030e+02   -6.35696e+01    5.63384e-06


DD  step 248979999 load imb.: force 16.5%  pme mesh/force 0.761
           Step           Time
      248980000   497960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10077e+03    1.99136e+04    1.29457e+04    1.17919e+03   -3.06202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91183e+03    9.21624e+04    3.99125e+05   -2.33738e+04   -2.97292e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65589e+04   -2.44446e+06    4.81474e+05   -1.96299e+06    2.66398e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12148e+02   -2.07068e+02    3.35611e+00    5.72365e-06


DD  step 248984999 load imb.: force 19.1%  pme mesh/force 0.779
           Step           Time
      248985000   497970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08946e+03    1.96086e+04    1.31322e+04    1.15017e+03   -3.04285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79673e+03    9.26406e+04    4.01213e+05   -2.33206e+04   -2.97771e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64597e+04   -2.44699e+06    4.78665e+05   -1.96832e+06    2.66404e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10327e+02   -2.06127e+02   -4.57243e+01    5.70876e-06


DD  step 248989999 load imb.: force 16.7%  pme mesh/force 0.765
           Step           Time
      248990000   497980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07526e+03    1.94074e+04    1.31227e+04    1.16465e+03   -3.06935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94048e+03    9.26877e+04    3.99783e+05   -2.34015e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66070e+04   -2.44653e+06    4.78597e+05   -1.96793e+06    2.66410e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10283e+02   -2.07557e+02   -8.65005e-01    5.69970e-06


DD  step 248994999 load imb.: force 16.8%  pme mesh/force 0.747
           Step           Time
      248995000   497990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11527e+03    1.94040e+04    1.30972e+04    1.25677e+03   -2.98517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86183e+03    9.26829e+04    3.98483e+05   -2.33658e+04   -2.97393e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65522e+04   -2.44583e+06    4.79558e+05   -1.96627e+06    2.66416e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10906e+02   -2.06925e+02   -7.76936e+01    5.47485e-06


DD  step 248999999 load imb.: force 16.8%  pme mesh/force 0.786
           Step           Time
      249000000   498000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09532e+03    1.93050e+04    1.29506e+04    1.14563e+03   -3.04925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75805e+03    9.21535e+04    4.03285e+05   -2.33771e+04   -2.98058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63547e+04   -2.44896e+06    4.80718e+05   -1.96824e+06    2.66421e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11658e+02   -2.07125e+02    2.99585e+01    5.73821e-06


DD  step 249004999 load imb.: force 17.8%  pme mesh/force 0.799
           Step           Time
      249005000   498010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16018e+03    1.93120e+04    1.32474e+04    1.15627e+03   -3.07693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87979e+03    9.27124e+04    4.02709e+05   -2.33870e+04   -2.98061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64936e+04   -2.44840e+06    4.78907e+05   -1.96949e+06    2.66428e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10484e+02   -2.07301e+02    1.71045e+01    5.77399e-06


DD  step 249009999 load imb.: force 16.2%  pme mesh/force 0.759
           Step           Time
      249010000   498020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95381e+03    1.94609e+04    1.29783e+04    1.16820e+03   -3.17129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81284e+03    9.23589e+04    3.98898e+05   -2.33912e+04   -2.97549e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63967e+04   -2.44803e+06    4.78247e+05   -1.96978e+06    2.66433e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10056e+02   -2.07374e+02   -7.05520e+01    5.64512e-06


DD  step 249014999 load imb.: force 18.3%  pme mesh/force 0.778
           Step           Time
      249015000   498030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02925e+03    1.95664e+04    1.30271e+04    1.25402e+03   -2.98757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84851e+03    9.27129e+04    3.97841e+05   -2.33362e+04   -2.97207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63981e+04   -2.44471e+06    4.79619e+05   -1.96509e+06    2.66439e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10945e+02   -2.06402e+02   -9.87968e+01    5.74170e-06


DD  step 249019999 load imb.: force 20.0%  pme mesh/force 0.757
           Step           Time
      249020000   498040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06717e+03    1.95982e+04    1.30244e+04    1.25460e+03   -3.09385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87505e+03    9.23218e+04    3.99125e+05   -2.33962e+04   -2.97390e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67488e+04   -2.44538e+06    4.78985e+05   -1.96639e+06    2.66445e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10534e+02   -2.07464e+02    2.71158e+00    5.70908e-06


DD  step 249024999 load imb.: force 17.7%  pme mesh/force 0.751
           Step           Time
      249025000   498050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19045e+03    1.96017e+04    1.31187e+04    1.15698e+03   -3.13839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76403e+03    9.25884e+04    4.00203e+05   -2.33936e+04   -2.97707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64867e+04   -2.44749e+06    4.80984e+05   -1.96650e+06    2.66451e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11830e+02   -2.07418e+02   -4.67656e+01    5.74232e-06


DD  step 249029999 load imb.: force 17.1%  pme mesh/force 0.756
           Step           Time
      249030000   498060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94282e+03    1.93843e+04    1.31476e+04    1.25121e+03   -3.01754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95198e+03    9.29350e+04    4.02198e+05   -2.34058e+04   -2.98102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66203e+04   -2.44902e+06    4.80477e+05   -1.96854e+06    2.66457e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11502e+02   -2.07634e+02    6.05791e+01    5.83269e-06


DD  step 249034999 load imb.: force 16.4%  pme mesh/force 0.724
           Step           Time
      249035000   498070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87876e+03    1.95351e+04    1.30009e+04    1.20542e+03   -2.95435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93984e+03    9.29011e+04    4.01844e+05   -2.33890e+04   -2.97723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63573e+04   -2.44591e+06    4.80906e+05   -1.96501e+06    2.66462e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11780e+02   -2.07335e+02    5.35499e+01    5.75567e-06


DD  step 249039999 load imb.: force 16.4%  pme mesh/force 0.722
           Step           Time
      249040000   498080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91627e+03    1.92118e+04    1.31464e+04    1.17032e+03   -3.12228e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99069e+03    9.23978e+04    4.03609e+05   -2.33998e+04   -2.98110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63324e+04   -2.44885e+06    4.80051e+05   -1.96880e+06    2.66468e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11226e+02   -2.07527e+02    1.09532e+02    5.71941e-06


DD  step 249044999 load imb.: force 15.0%  pme mesh/force 0.723
           Step           Time
      249045000   498090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95186e+03    1.93797e+04    1.31365e+04    1.28205e+03   -2.96751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88519e+03    9.25757e+04    4.01138e+05   -2.33862e+04   -2.97628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64369e+04   -2.44585e+06    4.80988e+05   -1.96486e+06    2.66474e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11833e+02   -2.07286e+02    1.96013e+01    5.89146e-06


DD  step 249049999 load imb.: force 14.5%  pme mesh/force 0.703
           Step           Time
      249050000   498100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08712e+03    1.92375e+04    1.30319e+04    1.21512e+03   -3.00159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82205e+03    9.24186e+04    4.03561e+05   -2.33883e+04   -2.98215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66249e+04   -2.44954e+06    4.79675e+05   -1.96986e+06    2.66480e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10982e+02   -2.07324e+02    2.92205e+01    5.75394e-06


DD  step 249054999 load imb.: force 13.9%  pme mesh/force 0.721
           Step           Time
      249055000   498110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00938e+03    1.93046e+04    1.29101e+04    1.13356e+03   -3.15767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93827e+03    9.28093e+04    4.00382e+05   -2.34187e+04   -2.97637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64141e+04   -2.44705e+06    4.80158e+05   -1.96689e+06    2.66486e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11295e+02   -2.07862e+02   -1.60226e+00    5.79435e-06


DD  step 249059999 load imb.: force 14.9%  pme mesh/force 0.722
           Step           Time
      249060000   498120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09217e+03    1.95704e+04    1.31534e+04    1.18587e+03   -3.01802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71365e+03    9.21234e+04    4.00817e+05   -2.34235e+04   -2.97792e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65601e+04   -2.44814e+06    4.80149e+05   -1.96799e+06    2.66492e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11289e+02   -2.07947e+02   -5.44298e+01    5.71123e-06


DD  step 249064999 load imb.: force 15.9%  pme mesh/force 0.721
           Step           Time
      249065000   498130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99593e+03    1.94611e+04    1.32503e+04    1.14286e+03   -3.13132e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73793e+03    9.22599e+04    3.99277e+05   -2.33772e+04   -2.97415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65338e+04   -2.44600e+06    4.77550e+05   -1.96845e+06    2.66497e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09604e+02   -2.07128e+02   -3.38356e+01    5.80434e-06


DD  step 249069999 load imb.: force 16.0%  pme mesh/force 0.728
           Step           Time
      249070000   498140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06208e+03    1.93910e+04    1.32224e+04    1.17808e+03   -3.02771e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67557e+03    9.23850e+04    3.99264e+05   -2.33702e+04   -2.97510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65249e+04   -2.44679e+06    4.80204e+05   -1.96659e+06    2.66503e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.07004e+02   -8.43860e+01    5.86364e-06


DD  step 249074999 load imb.: force 16.0%  pme mesh/force 0.720
           Step           Time
      249075000   498150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03861e+03    1.89385e+04    1.31385e+04    1.15113e+03   -3.16424e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93909e+03    9.25876e+04    4.00464e+05   -2.34008e+04   -2.97841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65154e+04   -2.44920e+06    4.77589e+05   -1.97161e+06    2.66509e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09630e+02   -2.07544e+02    1.14467e+01    5.70577e-06


DD  step 249079999 load imb.: force 17.2%  pme mesh/force 0.714
           Step           Time
      249080000   498160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10912e+03    1.95024e+04    1.31925e+04    1.25077e+03   -3.06206e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85189e+03    9.26874e+04    3.98033e+05   -2.33872e+04   -2.97372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63892e+04   -2.44615e+06    4.81775e+05   -1.96437e+06    2.66515e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12343e+02   -2.07303e+02   -4.17555e+01    5.70139e-06


DD  step 249084999 load imb.: force 16.4%  pme mesh/force 0.739
           Step           Time
      249085000   498170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02304e+03    1.94678e+04    1.31578e+04    1.12789e+03   -3.10930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90768e+03    9.23619e+04    4.00908e+05   -2.33893e+04   -2.97753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67348e+04   -2.44734e+06    4.81032e+05   -1.96631e+06    2.66521e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11861e+02   -2.07342e+02    2.60128e+01    5.68059e-06


DD  step 249089999 load imb.: force 16.8%  pme mesh/force 0.757
           Step           Time
      249090000   498180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73950e+03    1.92979e+04    1.28804e+04    1.19985e+03   -3.04488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92692e+03    9.28028e+04    4.01552e+05   -2.33834e+04   -2.97710e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66994e+04   -2.44643e+06    4.78829e+05   -1.96760e+06    2.66527e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10433e+02   -2.07236e+02    8.51743e+01    5.84492e-06


DD  step 249094999 load imb.: force 15.6%  pme mesh/force 0.719
           Step           Time
      249095000   498190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04489e+03    1.95744e+04    1.31129e+04    1.15897e+03   -3.13426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84183e+03    9.27065e+04    3.99731e+05   -2.33980e+04   -2.97622e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67008e+04   -2.44688e+06    4.77701e+05   -1.96918e+06    2.66533e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09702e+02   -2.07495e+02   -8.07593e+00    5.80151e-06


DD  step 249099999 load imb.: force 15.0%  pme mesh/force 0.722
           Step           Time
      249100000   498200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82062e+03    1.92510e+04    1.30724e+04    1.14398e+03   -3.15664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79726e+03    9.27438e+04    4.01630e+05   -2.34135e+04   -2.97908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64319e+04   -2.44876e+06    4.79021e+05   -1.96973e+06    2.66538e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10558e+02   -2.07770e+02    5.44012e+01    5.73469e-06


DD  step 249104999 load imb.: force 16.1%  pme mesh/force 0.730
           Step           Time
      249105000   498210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17370e+03    1.94312e+04    1.30046e+04    1.17161e+03   -3.03993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81845e+03    9.23604e+04    4.00368e+05   -2.33753e+04   -2.97760e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66200e+04   -2.44807e+06    4.80187e+05   -1.96788e+06    2.66544e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.07093e+02   -1.16493e+01    5.78718e-06


DD  step 249109999 load imb.: force 15.1%  pme mesh/force 0.693
           Step           Time
      249110000   498220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87230e+03    1.94348e+04    1.30242e+04    1.14079e+03   -3.08440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84717e+03    9.26693e+04    4.01261e+05   -2.33998e+04   -2.97887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64288e+04   -2.44867e+06    4.78593e+05   -1.97008e+06    2.66550e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10280e+02   -2.07527e+02    4.00429e+01    5.85100e-06


DD  step 249114999 load imb.: force 16.6%  pme mesh/force 0.746
           Step           Time
      249115000   498230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99657e+03    1.92975e+04    1.30085e+04    1.19078e+03   -3.08911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85610e+03    9.24789e+04    4.00544e+05   -2.33565e+04   -2.97647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63282e+04   -2.44722e+06    4.79859e+05   -1.96736e+06    2.66556e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11101e+02   -2.06762e+02   -1.93926e+01    5.82753e-06


DD  step 249119999 load imb.: force 17.0%  pme mesh/force 0.785
           Step           Time
      249120000   498240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16135e+03    1.94496e+04    1.30529e+04    1.18725e+03   -2.95836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79063e+03    9.26914e+04    4.00053e+05   -2.33473e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65422e+04   -2.44623e+06    4.78855e+05   -1.96737e+06    2.66562e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.06598e+02   -5.72735e+01    5.65307e-06


DD  step 249124999 load imb.: force 16.2%  pme mesh/force 0.743
           Step           Time
      249125000   498250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07258e+03    1.93751e+04    1.31398e+04    1.18864e+03   -3.03555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93923e+03    9.24961e+04    3.99496e+05   -2.33681e+04   -2.97396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65812e+04   -2.44507e+06    4.78285e+05   -1.96679e+06    2.66568e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10080e+02   -2.06965e+02    1.74300e+00    5.79125e-06


DD  step 249129999 load imb.: force 16.6%  pme mesh/force 0.732
           Step           Time
      249130000   498260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04427e+03    1.95755e+04    1.30358e+04    1.16859e+03   -3.08419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92290e+03    9.26350e+04    4.01646e+05   -2.33637e+04   -2.97595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66008e+04   -2.44477e+06    4.79949e+05   -1.96483e+06    2.66573e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11159e+02   -2.06888e+02    7.94510e+01    5.78283e-06

Writing checkpoint, step 249134300 at Wed Nov  8 17:16:28 2023



DD  step 249134999 load imb.: force 16.2%  pme mesh/force 0.748
           Step           Time
      249135000   498270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94138e+03    1.94844e+04    1.34177e+04    1.15222e+03   -3.16044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85333e+03    9.27345e+04    3.96311e+05   -2.33354e+04   -2.96758e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65132e+04   -2.44167e+06    4.80527e+05   -1.96114e+06    2.66578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11534e+02   -2.06388e+02   -5.34241e+01    5.75760e-06


DD  step 249139999 load imb.: force 19.0%  pme mesh/force 0.775
           Step           Time
      249140000   498280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85708e+03    1.90339e+04    1.31390e+04    1.16197e+03   -3.04136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86231e+03    9.23877e+04    4.01025e+05   -2.34250e+04   -2.97854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64615e+04   -2.44908e+06    4.77868e+05   -1.97121e+06    2.66585e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09811e+02   -2.07975e+02    1.04990e+01    5.78185e-06


DD  step 249144999 load imb.: force 15.4%  pme mesh/force 0.700
           Step           Time
      249145000   498290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07904e+03    1.98167e+04    1.30571e+04    1.22048e+03   -3.12737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71948e+03    9.25638e+04    4.03060e+05   -2.33954e+04   -2.98062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67311e+04   -2.44789e+06    4.79524e+05   -1.96837e+06    2.66591e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10884e+02   -2.07450e+02    7.09418e+01    5.66104e-06


DD  step 249149999 load imb.: force 16.0%  pme mesh/force 0.740
           Step           Time
      249150000   498300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85336e+03    1.92774e+04    1.29957e+04    1.27280e+03   -3.15548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84116e+03    9.24660e+04    4.01407e+05   -2.33846e+04   -2.97811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65660e+04   -2.44797e+06    4.77613e+05   -1.97036e+06    2.66597e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09645e+02   -2.07258e+02    2.48185e+01    5.64872e-06


DD  step 249154999 load imb.: force 18.1%  pme mesh/force 0.788
           Step           Time
      249155000   498310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93248e+03    1.94252e+04    1.30231e+04    1.20578e+03   -2.96660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79423e+03    9.23541e+04    3.97603e+05   -2.33932e+04   -2.96977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67042e+04   -2.44308e+06    4.80103e+05   -1.96298e+06    2.66602e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11260e+02   -2.07411e+02   -2.93514e+01    5.72136e-06


DD  step 249159999 load imb.: force 16.8%  pme mesh/force 0.750
           Step           Time
      249160000   498320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02834e+03    1.93606e+04    1.31163e+04    1.23305e+03   -3.11120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96706e+03    9.24767e+04    4.00107e+05   -2.33415e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62499e+04   -2.44848e+06    4.78881e+05   -1.96960e+06    2.66608e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10467e+02   -2.06497e+02   -7.75909e-02    5.77940e-06


DD  step 249164999 load imb.: force 15.7%  pme mesh/force 0.744
           Step           Time
      249165000   498330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00035e+03    1.91790e+04    1.31443e+04    1.22671e+03   -2.96569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81780e+03    9.26011e+04    3.99457e+05   -2.33453e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64273e+04   -2.44656e+06    4.76833e+05   -1.96973e+06    2.66614e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09140e+02   -2.06564e+02   -3.62652e+01    5.71447e-06


DD  step 249169999 load imb.: force 14.9%  pme mesh/force 0.741
           Step           Time
      249170000   498340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97307e+03    1.93032e+04    1.31775e+04    1.14672e+03   -3.02377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68067e+03    9.26289e+04    4.00361e+05   -2.33969e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64466e+04   -2.44768e+06    4.80991e+05   -1.96669e+06    2.66619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11835e+02   -2.07476e+02    9.22842e+00    5.92370e-06


DD  step 249174999 load imb.: force 17.3%  pme mesh/force 0.795
           Step           Time
      249175000   498350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99337e+03    1.92984e+04    1.30609e+04    1.25721e+03   -3.08674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81742e+03    9.25917e+04    4.00596e+05   -2.34247e+04   -2.97705e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63804e+04   -2.44756e+06    4.78120e+05   -1.96944e+06    2.66626e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.07969e+02    2.03052e+01    5.68581e-06


DD  step 249179999 load imb.: force 16.9%  pme mesh/force 0.751
           Step           Time
      249180000   498360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.65406e+03    1.95961e+04    1.30806e+04    1.18087e+03   -3.09426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88620e+03    9.22831e+04    4.00082e+05   -2.33763e+04   -2.97873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66567e+04   -2.44978e+06    4.79677e+05   -1.97010e+06    2.66631e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10983e+02   -2.07112e+02    1.90878e+01    5.78697e-06


DD  step 249184999 load imb.: force 15.5%  pme mesh/force 0.755
           Step           Time
      249185000   498370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18512e+03    1.94420e+04    1.31400e+04    1.22234e+03   -2.99746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80063e+03    9.26271e+04    4.00950e+05   -2.33865e+04   -2.97691e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66818e+04   -2.44625e+06    4.80039e+05   -1.96621e+06    2.66637e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11218e+02   -2.07292e+02   -4.31213e-02    5.82118e-06


DD  step 249189999 load imb.: force 15.3%  pme mesh/force 0.744
           Step           Time
      249190000   498380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95261e+03    1.91877e+04    1.28020e+04    1.10656e+03   -3.08343e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93963e+03    9.29294e+04    4.00616e+05   -2.33926e+04   -2.97688e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65856e+04   -2.44724e+06    4.78262e+05   -1.96898e+06    2.66643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10066e+02   -2.07401e+02    9.13594e+00    5.58753e-06


DD  step 249194999 load imb.: force 16.5%  pme mesh/force 0.751
           Step           Time
      249195000   498390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91147e+03    1.94965e+04    1.30659e+04    1.13574e+03   -2.95017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89341e+03    9.26489e+04    4.01266e+05   -2.34077e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66396e+04   -2.44819e+06    4.80233e+05   -1.96796e+06    2.66649e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11344e+02   -2.07667e+02    6.75385e+01    5.89362e-06


DD  step 249199999 load imb.: force 15.2%  pme mesh/force 0.726
           Step           Time
      249200000   498400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80798e+03    1.99898e+04    1.30250e+04    1.23810e+03   -3.04827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81521e+03    9.25739e+04    3.99934e+05   -2.33483e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66249e+04   -2.44707e+06    4.81790e+05   -1.96528e+06    2.66654e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12353e+02   -2.06616e+02   -6.31993e+01    5.67132e-06


DD  step 249204999 load imb.: force 14.3%  pme mesh/force 0.725
           Step           Time
      249205000   498410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.78593e+03    1.88357e+04    1.29828e+04    1.18027e+03   -3.07028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76403e+03    9.28686e+04    4.00424e+05   -2.34258e+04   -2.98003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64787e+04   -2.45120e+06    4.78398e+05   -1.97280e+06    2.66660e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10154e+02   -2.07988e+02   -4.80485e+01    5.77295e-06


DD  step 249209999 load imb.: force 17.1%  pme mesh/force 0.803
           Step           Time
      249210000   498420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95464e+03    1.99210e+04    1.30798e+04    1.13379e+03   -3.07957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90044e+03    9.27195e+04    3.98792e+05   -2.33516e+04   -2.97293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65588e+04   -2.44430e+06    4.80413e+05   -1.96388e+06    2.66666e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11460e+02   -2.06675e+02   -3.60358e+01    5.83224e-06


DD  step 249214999 load imb.: force 15.8%  pme mesh/force 0.754
           Step           Time
      249215000   498430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96488e+03    1.93279e+04    1.30045e+04    1.15708e+03   -3.10414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97940e+03    9.31228e+04    3.99031e+05   -2.33326e+04   -2.97290e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64417e+04   -2.44431e+06    4.80262e+05   -1.96405e+06    2.66671e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.06338e+02   -6.19807e+00    5.92984e-06


DD  step 249219999 load imb.: force 15.9%  pme mesh/force 0.759
           Step           Time
      249220000   498440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81653e+03    1.94485e+04    1.30382e+04    1.14948e+03   -3.09895e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95673e+03    9.29100e+04    4.00671e+05   -2.33951e+04   -2.97850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66522e+04   -2.44835e+06    4.78153e+05   -1.97020e+06    2.66678e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09995e+02   -2.07445e+02    2.32841e+01    5.71301e-06


DD  step 249224999 load imb.: force 15.0%  pme mesh/force 0.745
           Step           Time
      249225000   498450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94447e+03    1.93309e+04    1.30833e+04    1.20784e+03   -3.02652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81826e+03    9.38380e+04    4.01822e+05   -2.33795e+04   -2.98024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66699e+04   -2.44793e+06    4.79939e+05   -1.96799e+06    2.66684e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.07167e+02    6.71948e+01    5.68658e-06


DD  step 249229999 load imb.: force 16.5%  pme mesh/force 0.765
           Step           Time
      249230000   498460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16012e+03    1.92798e+04    1.29631e+04    1.28029e+03   -3.03323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68724e+03    9.29244e+04    3.98593e+05   -2.33411e+04   -2.97550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63719e+04   -2.44762e+06    4.80535e+05   -1.96708e+06    2.66689e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11539e+02   -2.06489e+02   -1.65525e+02    5.85449e-06


DD  step 249234999 load imb.: force 15.9%  pme mesh/force 0.759
           Step           Time
      249235000   498470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96581e+03    1.94745e+04    1.29690e+04    1.13415e+03   -2.96375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83634e+03    9.25285e+04    4.01770e+05   -2.34035e+04   -2.97893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65487e+04   -2.44807e+06    4.77314e+05   -1.97076e+06    2.66695e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09451e+02   -2.07594e+02    4.18244e+01    5.70151e-06


DD  step 249239999 load imb.: force 17.8%  pme mesh/force 0.759
           Step           Time
      249240000   498480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.17570e+03    1.96836e+04    1.30432e+04    1.14322e+03   -3.04718e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88532e+03    9.25745e+04    3.99074e+05   -2.33916e+04   -2.97468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63757e+04   -2.44616e+06    4.80069e+05   -1.96609e+06    2.66701e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11237e+02   -2.07382e+02    1.15579e+01    5.83802e-06


DD  step 249244999 load imb.: force 16.1%  pme mesh/force 0.769
           Step           Time
      249245000   498490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91664e+03    1.95542e+04    1.29986e+04    1.18216e+03   -3.10759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.73600e+03    9.27566e+04    3.99276e+05   -2.33821e+04   -2.97685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61702e+04   -2.44875e+06    4.80019e+05   -1.96873e+06    2.66707e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11205e+02   -2.07213e+02   -5.66476e+01    5.95954e-06


DD  step 249249999 load imb.: force 16.2%  pme mesh/force 0.755
           Step           Time
      249250000   498500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08642e+03    1.94124e+04    1.29739e+04    1.24281e+03   -3.06017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84163e+03    9.28120e+04    4.01409e+05   -2.33607e+04   -2.97778e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64700e+04   -2.44696e+06    4.79913e+05   -1.96704e+06    2.66713e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11136e+02   -2.06835e+02   -2.23583e+01    5.84660e-06


DD  step 249254999 load imb.: force 17.5%  pme mesh/force 0.754
           Step           Time
      249255000   498510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79088e+03    1.92055e+04    1.31630e+04    1.29448e+03   -3.06174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76250e+03    9.25754e+04    3.99621e+05   -2.33807e+04   -2.97540e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64597e+04   -2.44697e+06    4.76636e+05   -1.97033e+06    2.66719e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09012e+02   -2.07190e+02   -3.27337e+01    5.80642e-06


DD  step 249259999 load imb.: force 16.7%  pme mesh/force 0.753
           Step           Time
      249260000   498520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.81363e+03    1.91345e+04    1.30724e+04    1.21063e+03   -3.05476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89457e+03    9.25732e+04    3.99991e+05   -2.33468e+04   -2.97889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63478e+04   -2.45026e+06    4.81027e+05   -1.96923e+06    2.66724e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11858e+02   -2.06590e+02   -4.18632e+01    5.81933e-06


DD  step 249264999 load imb.: force 17.9%  pme mesh/force 0.796
           Step           Time
      249265000   498530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.26804e+03    1.89708e+04    1.30464e+04    1.25161e+03   -3.01611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91721e+03    9.28093e+04    4.03201e+05   -2.34181e+04   -2.98550e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65008e+04   -2.45296e+06    4.78836e+05   -1.97413e+06    2.66730e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10438e+02   -2.07851e+02    1.88449e+01    5.52080e-06


DD  step 249269999 load imb.: force 17.8%  pme mesh/force 0.793
           Step           Time
      249270000   498540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07321e+03    1.92007e+04    1.31764e+04    1.23984e+03   -3.02543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85963e+03    9.27474e+04    4.00428e+05   -2.33901e+04   -2.97899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63305e+04   -2.44935e+06    4.77467e+05   -1.97188e+06    2.66736e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09550e+02   -2.07355e+02   -3.61459e+00    5.77679e-06


DD  step 249274999 load imb.: force 16.2%  pme mesh/force 0.742
           Step           Time
      249275000   498550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.86776e+03    1.95086e+04    1.31913e+04    1.18138e+03   -3.04294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94789e+03    9.28960e+04    4.02781e+05   -2.33772e+04   -2.98039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63508e+04   -2.44808e+06    4.79663e+05   -1.96842e+06    2.66742e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10974e+02   -2.07127e+02    1.02239e+02    5.80033e-06


DD  step 249279999 load imb.: force 16.5%  pme mesh/force 0.775
           Step           Time
      249280000   498560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87883e+03    1.98160e+04    1.31400e+04    1.19357e+03   -3.14784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93743e+03    9.30026e+04    4.01064e+05   -2.33644e+04   -2.97411e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66357e+04   -2.44295e+06    4.81463e+05   -1.96149e+06    2.66748e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12141e+02   -2.06901e+02    7.94121e+01    5.64525e-06


DD  step 249284999 load imb.: force 15.2%  pme mesh/force 0.746
           Step           Time
      249285000   498570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06020e+03    1.97104e+04    1.29699e+04    1.17328e+03   -3.10278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79633e+03    9.27489e+04    4.01802e+05   -2.34071e+04   -2.97833e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65317e+04   -2.44705e+06    4.78957e+05   -1.96809e+06    2.66754e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.07656e+02   -7.30602e+00    5.52853e-06


DD  step 249289999 load imb.: force 16.1%  pme mesh/force 0.750
           Step           Time
      249290000   498580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90997e+03    1.94308e+04    1.29072e+04    1.23640e+03   -3.07351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79932e+03    9.32270e+04    4.01810e+05   -2.34165e+04   -2.98222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64863e+04   -2.45091e+06    4.79492e+05   -1.97142e+06    2.66760e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10863e+02   -2.07823e+02    2.81631e+01    5.56881e-06


DD  step 249294999 load imb.: force 17.5%  pme mesh/force 0.769
           Step           Time
      249295000   498590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33931e+03    1.96069e+04    1.28829e+04    1.20448e+03   -2.94321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92462e+03    9.28278e+04    4.03255e+05   -2.34249e+04   -2.98010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67395e+04   -2.44669e+06    4.81310e+05   -1.96538e+06    2.66766e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12042e+02   -2.07972e+02    1.29263e+02    5.80501e-06


DD  step 249299999 load imb.: force 14.2%  pme mesh/force 0.731
           Step           Time
      249300000   498600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87725e+03    1.92510e+04    1.31786e+04    1.25301e+03   -3.10920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80490e+03    9.34006e+04    3.99910e+05   -2.34194e+04   -2.97663e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66825e+04   -2.44680e+06    4.80206e+05   -1.96660e+06    2.66771e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11326e+02   -2.07874e+02    3.81194e+01    5.76022e-06


DD  step 249304999 load imb.: force 16.4%  pme mesh/force 0.713
           Step           Time
      249305000   498610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72879e+03    1.93795e+04    1.31036e+04    1.21920e+03   -3.06266e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89382e+03    9.32763e+04    3.98509e+05   -2.33488e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64322e+04   -2.44685e+06    4.79483e+05   -1.96737e+06    2.66778e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10857e+02   -2.06625e+02   -4.49489e+01    5.65547e-06


DD  step 249309999 load imb.: force 18.6%  pme mesh/force 0.775
           Step           Time
      249310000   498620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01030e+03    1.91858e+04    1.32453e+04    1.25563e+03   -3.05834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88331e+03    9.30413e+04    4.00368e+05   -2.34052e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64659e+04   -2.44799e+06    4.81675e+05   -1.96631e+06    2.66783e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12279e+02   -2.07623e+02    5.61917e+00    5.65557e-06


DD  step 249314999 load imb.: force 15.3%  pme mesh/force 0.734
           Step           Time
      249315000   498630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97965e+03    1.95298e+04    1.31820e+04    1.19057e+03   -3.10846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78577e+03    9.30388e+04    4.01196e+05   -2.33546e+04   -2.97818e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66365e+04   -2.44710e+06    4.80860e+05   -1.96624e+06    2.66789e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11750e+02   -2.06727e+02   -7.96938e+00    5.87572e-06


DD  step 249319999 load imb.: force 19.0%  pme mesh/force 0.789
           Step           Time
      249320000   498640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05558e+03    1.93824e+04    1.29802e+04    1.13472e+03   -3.06506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85836e+03    9.24959e+04    4.00797e+05   -2.33780e+04   -2.97928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64072e+04   -2.44962e+06    4.78345e+05   -1.97127e+06    2.66795e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10120e+02   -2.07141e+02   -5.18642e+00    5.71741e-06


DD  step 249324999 load imb.: force 14.7%  pme mesh/force 0.751
           Step           Time
      249325000   498650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.36374e+03    1.93945e+04    1.29455e+04    1.13448e+03   -3.15601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77871e+03    9.26710e+04    3.97419e+05   -2.33484e+04   -2.97329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65508e+04   -2.44654e+06    4.80221e+05   -1.96632e+06    2.66801e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11336e+02   -2.06617e+02   -1.29650e+02    5.58320e-06


DD  step 249329999 load imb.: force 19.7%  pme mesh/force 0.792
           Step           Time
      249330000   498660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89329e+03    1.93855e+04    1.30487e+04    1.22859e+03   -3.11175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95723e+03    9.23540e+04    3.99248e+05   -2.33454e+04   -2.97563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64670e+04   -2.44751e+06    4.78259e+05   -1.96925e+06    2.66807e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10064e+02   -2.06565e+02   -1.94054e+01    5.68665e-06


DD  step 249334999 load imb.: force 15.9%  pme mesh/force 0.761
           Step           Time
      249335000   498670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22485e+03    1.93839e+04    1.31508e+04    1.19029e+03   -3.02809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90948e+03    9.21636e+04    3.99891e+05   -2.34187e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65356e+04   -2.44882e+06    4.82484e+05   -1.96633e+06    2.66813e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12803e+02   -2.07863e+02    1.63117e+01    5.82691e-06


DD  step 249339999 load imb.: force 15.4%  pme mesh/force 0.724
           Step           Time
      249340000   498680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06683e+03    1.93548e+04    1.30780e+04    1.14518e+03   -3.08876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87574e+03    9.24770e+04    4.01105e+05   -2.34475e+04   -2.97712e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64233e+04   -2.44713e+06    4.79423e+05   -1.96770e+06    2.66819e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10818e+02   -2.08373e+02    7.54843e+01    5.60582e-06


DD  step 249344999 load imb.: force 17.0%  pme mesh/force 0.773
           Step           Time
      249345000   498690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98370e+03    1.92957e+04    1.28619e+04    1.19381e+03   -3.13775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81713e+03    9.36221e+04    4.01219e+05   -2.33304e+04   -2.97871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63928e+04   -2.44780e+06    4.78834e+05   -1.96896e+06    2.66825e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10437e+02   -2.06300e+02   -3.85167e+01    5.67105e-06


DD  step 249349999 load imb.: force 16.8%  pme mesh/force 0.765
           Step           Time
      249350000   498700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00275e+03    1.91938e+04    1.30255e+04    1.20113e+03   -3.17900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83014e+03    9.25181e+04    3.99138e+05   -2.33674e+04   -2.97465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67329e+04   -2.44655e+06    4.81293e+05   -1.96526e+06    2.66830e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12031e+02   -2.06955e+02   -6.84238e+01    5.47586e-06


DD  step 249354999 load imb.: force 17.5%  pme mesh/force 0.798
           Step           Time
      249355000   498710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94768e+03    1.98081e+04    1.31781e+04    1.18723e+03   -3.04252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89727e+03    9.28002e+04    3.98857e+05   -2.33839e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65477e+04   -2.44612e+06    4.79837e+05   -1.96629e+06    2.66837e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11087e+02   -2.07247e+02   -1.23430e+01    5.45502e-06


DD  step 249359999 load imb.: force 16.0%  pme mesh/force 0.748
           Step           Time
      249360000   498720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85082e+03    1.95158e+04    1.31039e+04    1.20645e+03   -3.03153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77133e+03    9.28132e+04    3.94792e+05   -2.33662e+04   -2.97130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64485e+04   -2.44720e+06    4.80042e+05   -1.96716e+06    2.66842e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.06932e+02   -1.96304e+02    5.77819e-06


DD  step 249364999 load imb.: force 17.7%  pme mesh/force 0.776
           Step           Time
      249365000   498730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.29345e+03    1.97701e+04    1.32869e+04    1.17587e+03   -3.03899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75831e+03    9.24424e+04    3.99262e+05   -2.33990e+04   -2.97564e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64075e+04   -2.44668e+06    4.80233e+05   -1.96645e+06    2.66849e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11344e+02   -2.07513e+02   -2.27129e+01    5.55503e-06


DD  step 249369999 load imb.: force 17.7%  pme mesh/force 0.789
           Step           Time
      249370000   498740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92383e+03    1.93351e+04    1.30896e+04    1.11817e+03   -3.01803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96739e+03    9.26174e+04    4.00714e+05   -2.33666e+04   -2.97844e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65523e+04   -2.44851e+06    4.80889e+05   -1.96762e+06    2.66854e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11769e+02   -2.06939e+02   -1.28373e+01    5.62749e-06


DD  step 249374999 load imb.: force 18.0%  pme mesh/force 0.784
           Step           Time
      249375000   498750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.11107e+03    1.94899e+04    1.31062e+04    1.24083e+03   -3.12792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80934e+03    9.25890e+04    3.99154e+05   -2.33540e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66480e+04   -2.44719e+06    4.77692e+05   -1.96950e+06    2.66860e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09696e+02   -2.06717e+02   -1.15131e+02    5.52095e-06


DD  step 249379999 load imb.: force 14.7%  pme mesh/force 0.726
           Step           Time
      249380000   498760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.72202e+03    1.97287e+04    1.32516e+04    1.16313e+03   -3.06939e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.02894e+03    9.26377e+04    4.02297e+05   -2.33662e+04   -2.97742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65485e+04   -2.44548e+06    4.78971e+05   -1.96651e+06    2.66866e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10526e+02   -2.06933e+02    1.18138e+02    5.59039e-06


DD  step 249384999 load imb.: force 15.5%  pme mesh/force 0.726
           Step           Time
      249385000   498770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82740e+03    1.97791e+04    1.32993e+04    1.15861e+03   -3.11925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95794e+03    9.26365e+04    4.03110e+05   -2.33609e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64843e+04   -2.44348e+06    4.79389e+05   -1.96409e+06    2.66872e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10797e+02   -2.06840e+02    9.15355e+01    5.62118e-06


DD  step 249389999 load imb.: force 15.6%  pme mesh/force 0.731
           Step           Time
      249390000   498780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98190e+03    1.95861e+04    1.31748e+04    1.13503e+03   -3.14265e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81942e+03    9.25255e+04    4.00564e+05   -2.34044e+04   -2.97885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63996e+04   -2.44921e+06    4.80506e+05   -1.96871e+06    2.66878e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11521e+02   -2.07609e+02   -2.18406e+01    5.60824e-06


DD  step 249394999 load imb.: force 14.8%  pme mesh/force 0.719
           Step           Time
      249395000   498790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96342e+03    1.92872e+04    1.32244e+04    1.23656e+03   -3.10892e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81930e+03    9.28040e+04    4.00704e+05   -2.34039e+04   -2.97882e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64495e+04   -2.44885e+06    4.79156e+05   -1.96969e+06    2.66884e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10645e+02   -2.07601e+02   -3.70442e+01    5.46227e-06


DD  step 249399999 load imb.: force 15.7%  pme mesh/force 0.748
           Step           Time
      249400000   498800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90812e+03    1.95346e+04    1.30309e+04    1.19787e+03   -3.10931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87133e+03    9.28689e+04    3.99315e+05   -2.34055e+04   -2.97459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67088e+04   -2.44567e+06    4.79592e+05   -1.96608e+06    2.66889e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10928e+02   -2.07628e+02    9.94701e+00    5.53175e-06


DD  step 249404999 load imb.: force 16.0%  pme mesh/force 0.746
           Step           Time
      249405000   498810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.34198e+03    1.97284e+04    1.30094e+04    1.13210e+03   -2.97110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82557e+03    9.24311e+04    3.98871e+05   -2.33414e+04   -2.97434e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64825e+04   -2.44583e+06    4.82506e+05   -1.96333e+06    2.66895e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12817e+02   -2.06494e+02   -7.61990e+01    5.54019e-06


DD  step 249409999 load imb.: force 18.4%  pme mesh/force 0.736
           Step           Time
      249410000   498820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.25371e+03    1.95222e+04    1.30818e+04    1.22727e+03   -3.10120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79991e+03    9.27056e+04    3.98003e+05   -2.33596e+04   -2.97459e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66121e+04   -2.44684e+06    4.81005e+05   -1.96584e+06    2.66901e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11844e+02   -2.06817e+02   -7.17707e+01    5.42568e-06


DD  step 249414999 load imb.: force 15.2%  pme mesh/force 0.692
           Step           Time
      249415000   498830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93336e+03    1.96529e+04    1.32759e+04    1.15720e+03   -3.09096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88101e+03    9.21421e+04    4.00791e+05   -2.33364e+04   -2.97715e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64564e+04   -2.44729e+06    4.80652e+05   -1.96664e+06    2.66907e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11615e+02   -2.06406e+02   -1.79406e+01    5.55345e-06


DD  step 249419999 load imb.: force 15.5%  pme mesh/force 0.726
           Step           Time
      249420000   498840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19677e+03    1.98951e+04    1.30019e+04    1.15643e+03   -3.01449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.68319e+03    9.18014e+04    4.01956e+05   -2.34616e+04   -2.97668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65513e+04   -2.44592e+06    4.81422e+05   -1.96449e+06    2.66913e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12114e+02   -2.08624e+02    9.40579e+01    5.56317e-06


DD  step 249424999 load imb.: force 14.8%  pme mesh/force 0.712
           Step           Time
      249425000   498850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06348e+03    1.93899e+04    1.31261e+04    1.18517e+03   -3.09182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93729e+03    9.29198e+04    4.00924e+05   -2.34040e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63290e+04   -2.44476e+06    4.81291e+05   -1.96347e+06    2.66918e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12030e+02   -2.07602e+02    8.09973e+01    5.50514e-06


DD  step 249429999 load imb.: force 17.0%  pme mesh/force 0.718
           Step           Time
      249430000   498860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05086e+03    1.93231e+04    1.30534e+04    1.17571e+03   -3.05416e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72694e+03    9.22516e+04    3.99941e+05   -2.33614e+04   -2.97669e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66014e+04   -2.44798e+06    4.78401e+05   -1.96958e+06    2.66924e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10156e+02   -2.06849e+02   -6.00189e+01    5.64220e-06


DD  step 249434999 load imb.: force 14.2%  pme mesh/force 0.718
           Step           Time
      249435000   498870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03369e+03    1.95862e+04    1.30283e+04    1.20220e+03   -3.07135e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77517e+03    9.24569e+04    4.01960e+05   -2.34193e+04   -2.98116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62006e+04   -2.45041e+06    4.80042e+05   -1.97037e+06    2.66930e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11220e+02   -2.07873e+02   -4.28276e+00    5.51454e-06


DD  step 249439999 load imb.: force 16.1%  pme mesh/force 0.739
           Step           Time
      249440000   498880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08817e+03    1.95119e+04    1.31265e+04    1.15841e+03   -3.13129e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74512e+03    9.17468e+04    4.00799e+05   -2.33713e+04   -2.97543e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64707e+04   -2.44628e+06    4.76981e+05   -1.96930e+06    2.66936e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09236e+02   -2.07022e+02   -4.54977e+01    5.60781e-06


DD  step 249444999 load imb.: force 15.5%  pme mesh/force 0.710
           Step           Time
      249445000   498890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93117e+03    1.93117e+04    1.31618e+04    1.18775e+03   -3.02302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86648e+03    9.27489e+04    4.02740e+05   -2.34102e+04   -2.97907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65155e+04   -2.44704e+06    4.78126e+05   -1.96892e+06    2.66942e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09977e+02   -2.07711e+02    7.57536e+01    5.46725e-06


DD  step 249449999 load imb.: force 15.9%  pme mesh/force 0.723
           Step           Time
      249450000   498900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07057e+03    1.94881e+04    1.31743e+04    1.19314e+03   -3.08503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77571e+03    9.26776e+04    3.97684e+05   -2.33726e+04   -2.97439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65022e+04   -2.44728e+06    4.79197e+05   -1.96808e+06    2.66948e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10672e+02   -2.07046e+02   -1.13872e+02    5.57629e-06


DD  step 249454999 load imb.: force 14.7%  pme mesh/force 0.720
           Step           Time
      249455000   498910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90730e+03    2.01634e+04    1.29890e+04    1.28255e+03   -3.12042e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90818e+03    9.22553e+04    4.00960e+05   -2.33671e+04   -2.97536e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66708e+04   -2.44472e+06    4.77468e+05   -1.96725e+06    2.66954e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09551e+02   -2.06948e+02    7.47879e+01    5.47224e-06


DD  step 249459999 load imb.: force 15.1%  pme mesh/force 0.715
           Step           Time
      249460000   498920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09732e+03    1.94423e+04    1.31255e+04    1.20801e+03   -3.15790e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81583e+03    9.25604e+04    4.00843e+05   -2.34212e+04   -2.97861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65271e+04   -2.44857e+06    4.80741e+05   -1.96783e+06    2.66959e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11673e+02   -2.07906e+02   -2.98128e+01    5.57171e-06


DD  step 249464999 load imb.: force 17.5%  pme mesh/force 0.739
           Step           Time
      249465000   498930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10209e+03    1.98667e+04    1.31446e+04    1.24970e+03   -3.05347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87414e+03    9.27842e+04    4.00274e+05   -2.34257e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62811e+04   -2.44593e+06    4.80360e+05   -1.96557e+06    2.66966e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11426e+02   -2.07987e+02    2.57164e+01    5.48621e-06


DD  step 249469999 load imb.: force 18.2%  pme mesh/force 0.782
           Step           Time
      249470000   498940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.24439e+03    1.99053e+04    1.30002e+04    1.21334e+03   -3.04144e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79437e+03    9.23784e+04    3.99335e+05   -2.33067e+04   -2.97319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66271e+04   -2.44404e+06    4.83216e+05   -1.96083e+06    2.66971e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13278e+02   -2.05881e+02   -4.14962e+01    5.51186e-06

Writing checkpoint, step 249473100 at Wed Nov  8 17:31:28 2023



DD  step 249474999 load imb.: force 15.8%  pme mesh/force 0.748
           Step           Time
      249475000   498950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06834e+03    1.94603e+04    1.31857e+04    1.14190e+03   -3.08820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84871e+03    9.25141e+04    3.99459e+05   -2.33391e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63344e+04   -2.44724e+06    4.78795e+05   -1.96844e+06    2.66977e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10412e+02   -2.06454e+02   -5.55008e+01    5.34267e-06


DD  step 249479999 load imb.: force 15.9%  pme mesh/force 0.740
           Step           Time
      249480000   498960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06479e+03    1.97127e+04    1.32388e+04    1.08917e+03   -3.00826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81309e+03    9.19644e+04    4.02132e+05   -2.33948e+04   -2.97971e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65749e+04   -2.44853e+06    4.79356e+05   -1.96917e+06    2.66983e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10775e+02   -2.07439e+02    7.15469e-01    5.50997e-06


DD  step 249484999 load imb.: force 17.1%  pme mesh/force 0.737
           Step           Time
      249485000   498970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99072e+03    1.96184e+04    1.30711e+04    1.20019e+03   -3.07976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91256e+03    9.25672e+04    3.98039e+05   -2.33954e+04   -2.97414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64371e+04   -2.44678e+06    4.79767e+05   -1.96701e+06    2.66989e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.07450e+02   -7.48580e+01    5.49715e-06


DD  step 249489999 load imb.: force 15.3%  pme mesh/force 0.743
           Step           Time
      249490000   498980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06920e+03    1.92803e+04    1.31520e+04    1.20300e+03   -3.04166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92978e+03    9.20241e+04    3.99205e+05   -2.33557e+04   -2.97421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66574e+04   -2.44609e+06    4.79518e+05   -1.96657e+06    2.66994e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10880e+02   -2.06747e+02   -3.18942e+01    5.40676e-06


DD  step 249494999 load imb.: force 16.6%  pme mesh/force 0.763
           Step           Time
      249495000   498990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88899e+03    1.93769e+04    1.31692e+04    1.19786e+03   -3.06218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85763e+03    9.25460e+04    3.99080e+05   -2.33972e+04   -2.97492e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63219e+04   -2.44694e+06    4.79619e+05   -1.96732e+06    2.67000e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10946e+02   -2.07481e+02   -4.73358e+01    5.53145e-06


DD  step 249499999 load imb.: force 17.2%  pme mesh/force 0.757
           Step           Time
      249500000   499000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01726e+03    1.91030e+04    1.32971e+04    1.24517e+03   -3.11426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90722e+03    9.24366e+04    4.02369e+05   -2.34153e+04   -2.97897e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64352e+04   -2.44769e+06    4.78834e+05   -1.96886e+06    2.67006e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10436e+02   -2.07802e+02    2.33559e+01    5.32462e-06


DD  step 249504999 load imb.: force 16.9%  pme mesh/force 0.771
           Step           Time
      249505000   499010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16339e+03    1.96965e+04    1.32077e+04    1.24636e+03   -3.19952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86971e+03    9.24432e+04    4.00853e+05   -2.33423e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65374e+04   -2.44537e+06    4.80284e+05   -1.96509e+06    2.67012e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11377e+02   -2.06510e+02    1.13404e+01    5.35158e-06


DD  step 249509999 load imb.: force 15.2%  pme mesh/force 0.728
           Step           Time
      249510000   499020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01296e+03    1.94151e+04    1.32199e+04    1.22089e+03   -3.14834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75023e+03    9.23527e+04    4.01770e+05   -2.33983e+04   -2.97754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67565e+04   -2.44659e+06    4.79918e+05   -1.96667e+06    2.67017e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.07501e+02    8.09972e+01    5.42926e-06


DD  step 249514999 load imb.: force 16.3%  pme mesh/force 0.703
           Step           Time
      249515000   499030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91841e+03    1.92213e+04    1.33581e+04    1.23745e+03   -3.11594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76669e+03    9.26679e+04    4.00767e+05   -2.33925e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64551e+04   -2.44826e+06    4.79994e+05   -1.96827e+06    2.67023e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11188e+02   -2.07397e+02   -6.98334e+00    5.43563e-06


DD  step 249519999 load imb.: force 14.6%  pme mesh/force 0.701
           Step           Time
      249520000   499040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98447e+03    1.91544e+04    1.31368e+04    1.18401e+03   -2.98298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84220e+03    9.23645e+04    4.00895e+05   -2.33539e+04   -2.97919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65111e+04   -2.44946e+06    4.81284e+05   -1.96817e+06    2.67029e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12025e+02   -2.06714e+02   -7.86165e+00    5.40804e-06


DD  step 249524999 load imb.: force 13.7%  pme mesh/force 0.725
           Step           Time
      249525000   499050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02323e+03    1.96825e+04    1.31735e+04    1.24752e+03   -3.03944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79167e+03    9.23729e+04    4.00300e+05   -2.33685e+04   -2.97511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65777e+04   -2.44535e+06    4.80471e+05   -1.96487e+06    2.67035e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11498e+02   -2.06973e+02   -9.82100e+00    5.39989e-06


DD  step 249529999 load imb.: force 18.4%  pme mesh/force 0.663
           Step           Time
      249530000   499060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87942e+03    1.96416e+04    1.31812e+04    1.18302e+03   -3.01569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91661e+03    9.25779e+04    3.99476e+05   -2.33841e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66753e+04   -2.44706e+06    4.78343e+05   -1.96871e+06    2.67041e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10118e+02   -2.07250e+02    5.52400e+00    5.55222e-06


DD  step 249534999 load imb.: force 15.3%  pme mesh/force 0.726
           Step           Time
      249535000   499070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82338e+03    1.91623e+04    1.32227e+04    1.16867e+03   -2.98387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92813e+03    9.21064e+04    3.97153e+05   -2.34016e+04   -2.97252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65795e+04   -2.44676e+06    4.78380e+05   -1.96838e+06    2.67046e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10142e+02   -2.07560e+02   -5.71051e+01    5.62010e-06


DD  step 249539999 load imb.: force 14.5%  pme mesh/force 0.715
           Step           Time
      249540000   499080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.07311e+03    1.91738e+04    1.29846e+04    1.20265e+03   -3.04621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79867e+03    9.20644e+04    3.95706e+05   -2.33243e+04   -2.97165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63595e+04   -2.44766e+06    4.79872e+05   -1.96779e+06    2.67052e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.06192e+02   -1.64369e+02    5.62566e-06


DD  step 249544999 load imb.: force 15.8%  pme mesh/force 0.725
           Step           Time
      249545000   499090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19345e+03    1.95130e+04    1.32124e+04    1.16977e+03   -3.12230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.97130e+03    9.22931e+04    3.99066e+05   -2.33915e+04   -2.97345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62811e+04   -2.44527e+06    4.80300e+05   -1.96497e+06    2.67058e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11387e+02   -2.07380e+02   -1.69838e+01    5.50030e-06


DD  step 249549999 load imb.: force 16.2%  pme mesh/force 0.715
           Step           Time
      249550000   499100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10926e+03    1.97125e+04    1.31597e+04    1.24895e+03   -3.09747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88718e+03    9.19633e+04    4.02140e+05   -2.34242e+04   -2.97745e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67511e+04   -2.44600e+06    4.81233e+05   -1.96476e+06    2.67064e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11992e+02   -2.07959e+02    7.87430e+01    5.50253e-06


DD  step 249554999 load imb.: force 15.4%  pme mesh/force 0.715
           Step           Time
      249555000   499110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99056e+03    1.95469e+04    1.31188e+04    1.17967e+03   -3.11208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81345e+03    9.22469e+04    3.98102e+05   -2.33840e+04   -2.97606e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64577e+04   -2.44910e+06    4.79295e+05   -1.96981e+06    2.67070e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10736e+02   -2.07247e+02   -1.00670e+02    5.45300e-06


DD  step 249559999 load imb.: force 17.3%  pme mesh/force 0.723
           Step           Time
      249560000   499120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.73163e+03    1.97922e+04    1.30343e+04    1.15761e+03   -3.08857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91284e+03    9.24972e+04    4.00341e+05   -2.33437e+04   -2.97613e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65417e+04   -2.44655e+06    4.76678e+05   -1.96987e+06    2.67076e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09039e+02   -2.06535e+02    2.27824e+01    5.34760e-06


DD  step 249564999 load imb.: force 20.0%  pme mesh/force 0.755
           Step           Time
      249565000   499130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01907e+03    1.92962e+04    1.31786e+04    1.18635e+03   -3.02607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81061e+03    9.26328e+04    4.01598e+05   -2.33821e+04   -2.97721e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65646e+04   -2.44633e+06    4.78379e+05   -1.96795e+06    2.67082e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10142e+02   -2.07215e+02    4.38723e+01    5.53376e-06


DD  step 249569999 load imb.: force 16.1%  pme mesh/force 0.729
           Step           Time
      249570000   499140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06307e+03    1.92309e+04    1.31716e+04    1.18887e+03   -3.14853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90287e+03    9.24876e+04    3.99453e+05   -2.33635e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63874e+04   -2.44788e+06    4.77781e+05   -1.97010e+06    2.67088e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09754e+02   -2.06886e+02   -4.27270e+01    5.48228e-06


DD  step 249574999 load imb.: force 16.3%  pme mesh/force 0.731
           Step           Time
      249575000   499150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91386e+03    1.94888e+04    1.31521e+04    1.17157e+03   -3.15911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93858e+03    9.23790e+04    4.02399e+05   -2.33387e+04   -2.98036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67333e+04   -2.44868e+06    4.80292e+05   -1.96839e+06    2.67093e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11382e+02   -2.06447e+02   -5.34207e+00    5.40499e-06


DD  step 249579999 load imb.: force 14.6%  pme mesh/force 0.705
           Step           Time
      249580000   499160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02242e+03    1.96751e+04    1.29544e+04    1.12425e+03   -3.21990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81847e+03    9.24026e+04    4.00882e+05   -2.34078e+04   -2.97724e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63944e+04   -2.44759e+06    4.80694e+05   -1.96690e+06    2.67099e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11643e+02   -2.07670e+02    4.08940e+01    5.39089e-06


DD  step 249584999 load imb.: force 15.7%  pme mesh/force 0.712
           Step           Time
      249585000   499170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01587e+03    1.96545e+04    1.31726e+04    1.28284e+03   -3.15508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88692e+03    9.21479e+04    4.02552e+05   -2.34394e+04   -2.97970e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65662e+04   -2.44802e+06    4.81400e+05   -1.96662e+06    2.67105e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12100e+02   -2.08230e+02    1.17531e+02    5.65505e-06


DD  step 249589999 load imb.: force 15.8%  pme mesh/force 0.735
           Step           Time
      249590000   499180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93827e+03    1.93280e+04    1.31258e+04    1.20580e+03   -3.06253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86963e+03    9.23875e+04    4.01347e+05   -2.33904e+04   -2.97708e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63095e+04   -2.44702e+06    4.80727e+05   -1.96630e+06    2.67111e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11664e+02   -2.07361e+02    5.64242e+01    5.45453e-06


DD  step 249594999 load imb.: force 14.1%  pme mesh/force 0.715
           Step           Time
      249595000   499190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06510e+03    1.99968e+04    1.32058e+04    1.24868e+03   -3.24923e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83098e+03    9.18694e+04    3.97629e+05   -2.33604e+04   -2.97258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67163e+04   -2.44563e+06    4.81126e+05   -1.96451e+06    2.67117e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11923e+02   -2.06830e+02   -6.54382e+01    5.59407e-06


DD  step 249599999 load imb.: force 16.0%  pme mesh/force 0.751
           Step           Time
      249600000   499200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.19190e+03    1.98016e+04    1.30662e+04    1.17585e+03   -2.99901e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.64966e+03    9.16728e+04    3.98510e+05   -2.33864e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64819e+04   -2.44655e+06    4.79927e+05   -1.96662e+06    2.67123e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11145e+02   -2.07290e+02   -9.96395e+01    5.58528e-06


DD  step 249604999 load imb.: force 16.0%  pme mesh/force 0.727
           Step           Time
      249605000   499210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02203e+03    1.92535e+04    1.32303e+04    1.11694e+03   -3.07372e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88737e+03    9.21312e+04    4.03163e+05   -2.33772e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65638e+04   -2.44765e+06    4.78726e+05   -1.96893e+06    2.67129e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10367e+02   -2.07128e+02    7.16300e+01    5.48116e-06


DD  step 249609999 load imb.: force 15.2%  pme mesh/force 0.722
           Step           Time
      249610000   499220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93194e+03    1.97541e+04    1.32215e+04    1.21654e+03   -3.09282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84877e+03    9.28544e+04    4.02675e+05   -2.34081e+04   -2.97870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64567e+04   -2.44624e+06    4.81300e+05   -1.96494e+06    2.67135e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12035e+02   -2.07675e+02    1.09395e+02    5.57013e-06


DD  step 249614999 load imb.: force 16.3%  pme mesh/force 0.706
           Step           Time
      249615000   499230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16353e+03    1.96307e+04    1.30849e+04    1.10384e+03   -3.06525e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90454e+03    9.25714e+04    4.01001e+05   -2.33789e+04   -2.97790e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65127e+04   -2.44737e+06    4.81752e+05   -1.96562e+06    2.67141e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12328e+02   -2.07157e+02    1.02675e+01    5.53191e-06


DD  step 249619999 load imb.: force 16.0%  pme mesh/force 0.751
           Step           Time
      249620000   499240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.09148e+03    1.93950e+04    1.33328e+04    1.14984e+03   -3.14788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90496e+03    9.23553e+04    4.01578e+05   -2.33781e+04   -2.97534e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65989e+04   -2.44446e+06    4.79850e+05   -1.96461e+06    2.67146e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11095e+02   -2.07142e+02    9.33341e+01    5.56642e-06


DD  step 249624999 load imb.: force 15.2%  pme mesh/force 0.714
           Step           Time
      249625000   499250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.00661e+03    1.92537e+04    1.30440e+04    1.19787e+03   -3.10362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.95079e+03    9.25594e+04    4.01172e+05   -2.33808e+04   -2.97652e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64097e+04   -2.44641e+06    4.78388e+05   -1.96802e+06    2.67152e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10147e+02   -2.07190e+02    5.99284e+01    5.72581e-06


DD  step 249629999 load imb.: force 14.9%  pme mesh/force 0.716
           Step           Time
      249630000   499260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94013e+03    1.93840e+04    1.30481e+04    1.21395e+03   -3.08856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83637e+03    9.22922e+04    3.99545e+05   -2.33690e+04   -2.97607e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65300e+04   -2.44773e+06    4.78895e+05   -1.96884e+06    2.67157e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10476e+02   -2.06982e+02   -6.97492e+01    5.58886e-06


DD  step 249634999 load imb.: force 16.9%  pme mesh/force 0.739
           Step           Time
      249635000   499270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.05404e+03    1.94509e+04    1.29977e+04    1.25427e+03   -3.05322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83765e+03    9.26859e+04    4.01886e+05   -2.34178e+04   -2.97687e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65553e+04   -2.44562e+06    4.80905e+05   -1.96472e+06    2.67163e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11779e+02   -2.07847e+02    8.34536e+01    5.67331e-06


DD  step 249639999 load imb.: force 16.2%  pme mesh/force 0.727
           Step           Time
      249640000   499280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04461e+03    1.93310e+04    1.31064e+04    1.30066e+03   -3.05513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84999e+03    9.23684e+04    4.00910e+05   -2.33727e+04   -2.97545e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64826e+04   -2.44548e+06    4.78412e+05   -1.96707e+06    2.67169e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10163e+02   -2.07047e+02   -1.21984e+01    5.43314e-06


DD  step 249644999 load imb.: force 14.5%  pme mesh/force 0.713
           Step           Time
      249645000   499290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88843e+03    1.97644e+04    1.32275e+04    1.10997e+03   -3.12833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85642e+03    9.22291e+04    3.97373e+05   -2.34356e+04   -2.97304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63611e+04   -2.44680e+06    4.80098e+05   -1.96670e+06    2.67175e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11256e+02   -2.08162e+02   -1.04510e+01    5.54744e-06


DD  step 249649999 load imb.: force 15.6%  pme mesh/force 0.743
           Step           Time
      249650000   499300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03019e+03    1.91505e+04    1.31924e+04    1.24683e+03   -2.93802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91360e+03    9.24153e+04    4.01626e+05   -2.34090e+04   -2.98170e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64209e+04   -2.45106e+06    4.79334e+05   -1.97172e+06    2.67181e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10761e+02   -2.07690e+02    5.23726e+00    5.56436e-06


DD  step 249654999 load imb.: force 15.1%  pme mesh/force 0.709
           Step           Time
      249655000   499310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10759e+03    1.92662e+04    1.30436e+04    1.19680e+03   -2.99367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84517e+03    9.20894e+04    4.01527e+05   -2.33828e+04   -2.97824e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66821e+04   -2.44786e+06    4.78817e+05   -1.96905e+06    2.67186e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.07226e+02    2.47633e+01    5.47362e-06


DD  step 249659999 load imb.: force 15.4%  pme mesh/force 0.744
           Step           Time
      249660000   499320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21752e+03    1.91659e+04    1.32091e+04    1.24111e+03   -3.02026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86967e+03    9.23314e+04    4.00347e+05   -2.33988e+04   -2.97625e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64836e+04   -2.44681e+06    4.80411e+05   -1.96640e+06    2.67192e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11459e+02   -2.07510e+02    3.86022e+01    5.68423e-06


DD  step 249664999 load imb.: force 15.7%  pme mesh/force 0.712
           Step           Time
      249665000   499330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.76105e+03    1.91805e+04    1.32470e+04    1.25388e+03   -3.08211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87073e+03    9.31580e+04    4.03614e+05   -2.33916e+04   -2.98072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64635e+04   -2.44765e+06    4.78656e+05   -1.96899e+06    2.67198e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10321e+02   -2.07383e+02    1.13008e+02    5.63918e-06


DD  step 249669999 load imb.: force 15.2%  pme mesh/force 0.695
           Step           Time
      249670000   499340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.20364e+03    1.95235e+04    1.31131e+04    1.20795e+03   -3.08063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81868e+03    9.24823e+04    4.04094e+05   -2.33606e+04   -2.98173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64932e+04   -2.44823e+06    4.79552e+05   -1.96868e+06    2.67204e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10902e+02   -2.06833e+02    7.79395e+01    5.62361e-06


DD  step 249674999 load imb.: force 16.3%  pme mesh/force 0.726
           Step           Time
      249675000   499350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.80500e+03    1.90750e+04    1.31300e+04    1.28657e+03   -2.98935e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.93055e+03    9.27256e+04    4.03159e+05   -2.33677e+04   -2.98227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66352e+04   -2.44988e+06    4.77906e+05   -1.97197e+06    2.67210e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09835e+02   -2.06959e+02    5.51380e+01    5.64966e-06


DD  step 249679999 load imb.: force 17.0%  pme mesh/force 0.773
           Step           Time
      249680000   499360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.79533e+03    1.90212e+04    1.31720e+04    1.20688e+03   -3.03590e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76976e+03    9.24823e+04    4.02404e+05   -2.33735e+04   -2.98171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64934e+04   -2.45077e+06    4.78855e+05   -1.97192e+06    2.67215e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.07061e+02    9.89104e+00    5.58344e-06


DD  step 249684999 load imb.: force 16.4%  pme mesh/force 0.722
           Step           Time
      249685000   499370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33278e+03    1.95707e+04    1.31636e+04    1.16239e+03   -3.04281e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90406e+03    9.19938e+04    4.00143e+05   -2.33400e+04   -2.97386e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65109e+04   -2.44446e+06    4.78874e+05   -1.96559e+06    2.67221e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10462e+02   -2.06470e+02   -1.32773e+01    5.55474e-06


DD  step 249689999 load imb.: force 16.3%  pme mesh/force 0.719
           Step           Time
      249690000   499380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99165e+03    1.94772e+04    1.30883e+04    1.17085e+03   -3.10616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86768e+03    9.27586e+04    3.97458e+05   -2.33516e+04   -2.97582e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66001e+04   -2.44886e+06    4.81663e+05   -1.96720e+06    2.67227e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12271e+02   -2.06675e+02   -9.67364e+01    5.48541e-06


DD  step 249694999 load imb.: force 16.2%  pme mesh/force 0.731
           Step           Time
      249695000   499390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04869e+03    1.96235e+04    1.34563e+04    1.17478e+03   -3.00200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81647e+03    9.23631e+04    3.99955e+05   -2.33878e+04   -2.97696e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64887e+04   -2.44743e+06    4.80267e+05   -1.96716e+06    2.67233e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11366e+02   -2.07315e+02   -8.18542e+00    5.73745e-06


DD  step 249699999 load imb.: force 17.7%  pme mesh/force 0.756
           Step           Time
      249700000   499400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.32139e+03    1.92618e+04    1.31304e+04    1.26944e+03   -2.98651e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81744e+03    9.25146e+04    4.00474e+05   -2.33627e+04   -2.97630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66039e+04   -2.44626e+06    4.79984e+05   -1.96627e+06    2.67239e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.06870e+02   -1.63168e+01    5.46869e-06


DD  step 249704999 load imb.: force 17.5%  pme mesh/force 0.762
           Step           Time
      249705000   499410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.96135e+03    1.97017e+04    1.31487e+04    1.20785e+03   -3.06213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.69343e+03    9.22229e+04    3.96127e+05   -2.33582e+04   -2.96991e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62737e+04   -2.44500e+06    4.79870e+05   -1.96513e+06    2.67244e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11108e+02   -2.06791e+02   -9.94600e+01    5.60690e-06


DD  step 249709999 load imb.: force 16.0%  pme mesh/force 0.723
           Step           Time
      249710000   499420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03089e+03    1.94459e+04    1.30153e+04    1.23619e+03   -3.01622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77204e+03    9.25455e+04    4.00389e+05   -2.34229e+04   -2.97571e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63598e+04   -2.44636e+06    4.79318e+05   -1.96704e+06    2.67250e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10751e+02   -2.07937e+02    4.58844e+01    5.73455e-06


DD  step 249714999 load imb.: force 16.4%  pme mesh/force 0.746
           Step           Time
      249715000   499430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93722e+03    1.96524e+04    1.31952e+04    1.13306e+03   -3.06040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88144e+03    9.28093e+04    4.01769e+05   -2.33990e+04   -2.97772e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66715e+04   -2.44613e+06    4.80263e+05   -1.96587e+06    2.67257e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.07513e+02    6.87665e+01    5.75727e-06


DD  step 249719999 load imb.: force 15.6%  pme mesh/force 0.731
           Step           Time
      249720000   499440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.98439e+03    1.95328e+04    1.31500e+04    1.21296e+03   -3.04294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83114e+03    9.23962e+04    4.00876e+05   -2.33509e+04   -2.97562e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65466e+04   -2.44549e+06    4.79532e+05   -1.96595e+06    2.67262e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.06663e+02    1.74327e+01    5.44041e-06


DD  step 249724999 load imb.: force 16.8%  pme mesh/force 0.747
           Step           Time
      249725000   499450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93397e+03    1.98865e+04    1.29571e+04    1.20591e+03   -3.03009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.98569e+03    9.25615e+04    4.00307e+05   -2.34126e+04   -2.97814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62984e+04   -2.44844e+06    4.79087e+05   -1.96936e+06    2.67268e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10600e+02   -2.07754e+02    3.63801e+01    5.61817e-06


DD  step 249729999 load imb.: force 16.8%  pme mesh/force 0.739
           Step           Time
      249730000   499460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.77285e+03    1.92191e+04    1.32749e+04    1.20769e+03   -3.21291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.90036e+03    9.27322e+04    4.04345e+05   -2.33429e+04   -2.98083e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64564e+04   -2.44747e+06    4.77167e+05   -1.97031e+06    2.67274e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09356e+02   -2.06521e+02    1.28955e+02    5.66696e-06


DD  step 249734999 load imb.: force 15.0%  pme mesh/force 0.713
           Step           Time
      249735000   499470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.02677e+03    1.92355e+04    1.32204e+04    1.27605e+03   -3.03178e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86484e+03    9.22665e+04    4.01561e+05   -2.34079e+04   -2.97957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65005e+04   -2.44906e+06    4.79595e+05   -1.96946e+06    2.67279e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.07670e+02   -1.06158e+00    5.54000e-06


DD  step 249739999 load imb.: force 15.6%  pme mesh/force 0.700
           Step           Time
      249740000   499480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.84351e+03    1.93557e+04    1.31990e+04    1.14417e+03   -2.98218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.91181e+03    9.23969e+04    4.02964e+05   -2.33685e+04   -2.97880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64843e+04   -2.44685e+06    4.80032e+05   -1.96682e+06    2.67285e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11213e+02   -2.06973e+02    6.62853e+01    5.75622e-06


DD  step 249744999 load imb.: force 18.0%  pme mesh/force 0.718
           Step           Time
      249745000   499490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97827e+03    1.91482e+04    1.31146e+04    1.14688e+03   -3.00006e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77172e+03    9.23013e+04    3.99825e+05   -2.33627e+04   -2.97476e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67651e+04   -2.44607e+06    4.79087e+05   -1.96699e+06    2.67290e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10601e+02   -2.06870e+02   -4.61494e+01    5.73279e-06


DD  step 249749999 load imb.: force 15.7%  pme mesh/force 0.712
           Step           Time
      249750000   499500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14178e+03    1.93571e+04    1.33380e+04    1.12746e+03   -3.09981e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86836e+03    9.26314e+04    4.01013e+05   -2.34082e+04   -2.97574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65917e+04   -2.44518e+06    4.82204e+05   -1.96297e+06    2.67296e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12622e+02   -2.07677e+02    6.11885e+01    5.86511e-06


DD  step 249754999 load imb.: force 15.3%  pme mesh/force 0.709
           Step           Time
      249755000   499510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92151e+03    1.94313e+04    1.29768e+04    1.10417e+03   -3.08420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86781e+03    9.26968e+04    3.97746e+05   -2.33655e+04   -2.97267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65397e+04   -2.44583e+06    4.80265e+05   -1.96557e+06    2.67302e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11365e+02   -2.06920e+02   -8.01856e+01    5.59437e-06


DD  step 249759999 load imb.: force 15.1%  pme mesh/force 0.720
           Step           Time
      249760000   499520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04827e+03    1.93607e+04    1.31219e+04    1.23277e+03   -3.04502e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83051e+03    9.23199e+04    4.02847e+05   -2.34019e+04   -2.98101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65908e+04   -2.44910e+06    4.80695e+05   -1.96841e+06    2.67308e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11643e+02   -2.07565e+02    4.33151e+01    5.49632e-06


DD  step 249764999 load imb.: force 16.4%  pme mesh/force 0.711
           Step           Time
      249765000   499530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89404e+03    1.92391e+04    1.30653e+04    1.16272e+03   -3.03998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96365e+03    9.25247e+04    4.01031e+05   -2.33515e+04   -2.97602e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66843e+04   -2.44585e+06    4.79038e+05   -1.96681e+06    2.67314e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10569e+02   -2.06673e+02    1.18787e+01    5.70658e-06


DD  step 249769999 load imb.: force 15.6%  pme mesh/force 0.720
           Step           Time
      249770000   499540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82388e+03    1.96224e+04    1.29091e+04    1.20034e+03   -2.91615e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79382e+03    9.26075e+04    3.97592e+05   -2.33656e+04   -2.97464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66506e+04   -2.44772e+06    4.79967e+05   -1.96775e+06    2.67319e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.06921e+02   -7.75922e+01    5.58874e-06


DD  step 249774999 load imb.: force 16.5%  pme mesh/force 0.739
           Step           Time
      249775000   499550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.69483e+03    1.91716e+04    1.30334e+04    1.11919e+03   -2.90985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94194e+03    9.25477e+04    4.00368e+05   -2.33409e+04   -2.97798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66795e+04   -2.44868e+06    4.79704e+05   -1.96897e+06    2.67325e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11001e+02   -2.06485e+02    2.10861e+00    5.87986e-06


DD  step 249779999 load imb.: force 17.0%  pme mesh/force 0.736
           Step           Time
      249780000   499560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91389e+03    1.89003e+04    1.31169e+04    1.14873e+03   -3.11456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92365e+03    9.29330e+04    4.00173e+05   -2.33913e+04   -2.97746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63895e+04   -2.44846e+06    4.79453e+05   -1.96901e+06    2.67331e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10838e+02   -2.07377e+02    1.84810e+00    5.59534e-06


DD  step 249784999 load imb.: force 16.4%  pme mesh/force 0.748
           Step           Time
      249785000   499570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89563e+03    1.97997e+04    1.30435e+04    1.22140e+03   -3.06197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.86723e+03    9.20597e+04    3.97176e+05   -2.33725e+04   -2.97354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65924e+04   -2.44732e+06    4.80005e+05   -1.96732e+06    2.67337e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11196e+02   -2.07044e+02   -8.76467e+01    5.63913e-06


DD  step 249789999 load imb.: force 15.0%  pme mesh/force 0.699
           Step           Time
      249790000   499580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14998e+03    1.98327e+04    1.31531e+04    1.19889e+03   -3.01858e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82709e+03    9.21321e+04    3.98016e+05   -2.33826e+04   -2.97321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62918e+04   -2.44601e+06    4.80617e+05   -1.96540e+06    2.67343e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11593e+02   -2.07223e+02   -7.38371e+00    5.73550e-06


DD  step 249794999 load imb.: force 16.0%  pme mesh/force 0.711
           Step           Time
      249795000   499590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.16154e+03    1.95136e+04    1.30636e+04    1.20369e+03   -3.03345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.96274e+03    9.27017e+04    3.99169e+05   -2.34183e+04   -2.97493e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63233e+04   -2.44628e+06    4.81599e+05   -1.96468e+06    2.67349e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12229e+02   -2.07856e+02    2.03117e+00    5.91135e-06


DD  step 249799999 load imb.: force 16.3%  pme mesh/force 0.756
           Step           Time
      249800000   499600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97705e+03    1.95268e+04    1.31028e+04    1.27689e+03   -3.03322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80839e+03    9.25378e+04    4.00554e+05   -2.34258e+04   -2.97904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64971e+04   -2.44922e+06    4.78036e+05   -1.97118e+06    2.67355e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09920e+02   -2.07989e+02   -1.98226e+01    5.64424e-06


DD  step 249804999 load imb.: force 15.3%  pme mesh/force 0.727
           Step           Time
      249805000   499610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10697e+03    1.95349e+04    1.30955e+04    1.20003e+03   -3.09492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78257e+03    9.23464e+04    4.02281e+05   -2.33426e+04   -2.97902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.67295e+04   -2.44738e+06    4.80387e+05   -1.96700e+06    2.67360e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11444e+02   -2.06515e+02    4.24266e+01    5.69805e-06


DD  step 249809999 load imb.: force 15.0%  pme mesh/force 0.721
           Step           Time
      249810000   499620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08350e+03    1.93434e+04    1.30139e+04    1.21951e+03   -2.94496e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80698e+03    9.24165e+04    4.00645e+05   -2.33861e+04   -2.97726e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64284e+04   -2.44764e+06    4.79540e+05   -1.96810e+06    2.67367e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10895e+02   -2.07285e+02   -8.61621e+00    5.85642e-06

Writing checkpoint, step 249813350 at Wed Nov  8 17:46:28 2023



DD  step 249814999 load imb.: force 14.8%  pme mesh/force 0.723
           Step           Time
      249815000   499630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.14522e+03    1.95072e+04    1.31286e+04    1.19343e+03   -3.01347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.70580e+03    9.21671e+04    4.00455e+05   -2.34566e+04   -2.97734e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65017e+04   -2.44801e+06    4.79100e+05   -1.96891e+06    2.67372e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10609e+02   -2.08534e+02    5.58804e+00    5.66844e-06


DD  step 249819999 load imb.: force 16.7%  pme mesh/force 0.702
           Step           Time
      249820000   499640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15802e+03    1.92252e+04    1.30624e+04    1.16045e+03   -2.97827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78957e+03    9.22551e+04    3.99955e+05   -2.34041e+04   -2.97782e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65292e+04   -2.44907e+06    4.78555e+05   -1.97052e+06    2.67378e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10256e+02   -2.07603e+02   -5.45739e+01    5.63855e-06


DD  step 249824999 load imb.: force 14.7%  pme mesh/force 0.731
           Step           Time
      249825000   499650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93818e+03    1.95157e+04    1.29207e+04    1.18198e+03   -2.98278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89618e+03    9.26771e+04    4.01879e+05   -2.34117e+04   -2.97757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65918e+04   -2.44637e+06    4.81120e+05   -1.96525e+06    2.67384e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11919e+02   -2.07738e+02    1.02671e+02    5.82217e-06


DD  step 249829999 load imb.: force 19.0%  pme mesh/force 0.734
           Step           Time
      249830000   499660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18667e+03    1.92677e+04    1.30924e+04    1.24171e+03   -3.02819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84748e+03    9.22812e+04    3.97780e+05   -2.33778e+04   -2.97394e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65951e+04   -2.44705e+06    4.78151e+05   -1.96890e+06    2.67390e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09994e+02   -2.07139e+02   -1.22057e+02    5.65851e-06


DD  step 249834999 load imb.: force 14.9%  pme mesh/force 0.727
           Step           Time
      249835000   499670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06316e+03    1.93102e+04    1.31124e+04    1.13820e+03   -3.09934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88249e+03    9.26041e+04    4.01214e+05   -2.34192e+04   -2.97800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64654e+04   -2.44773e+06    4.76408e+05   -1.97132e+06    2.67396e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08864e+02   -2.07871e+02    4.39905e+01    5.69846e-06


DD  step 249839999 load imb.: force 15.2%  pme mesh/force 0.689
           Step           Time
      249840000   499680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15170e+03    2.00474e+04    1.31982e+04    1.17390e+03   -3.09107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71982e+03    9.24527e+04    4.02099e+05   -2.33799e+04   -2.97785e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65459e+04   -2.44593e+06    4.81703e+05   -1.96423e+06    2.67402e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12297e+02   -2.07175e+02    2.92993e+01    5.52735e-06


DD  step 249844999 load imb.: force 14.8%  pme mesh/force 0.726
           Step           Time
      249845000   499690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.85759e+03    1.97526e+04    1.31420e+04    1.14663e+03   -3.05784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88333e+03    9.22767e+04    3.97550e+05   -2.33916e+04   -2.97184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66491e+04   -2.44503e+06    4.79994e+05   -1.96503e+06    2.67407e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11188e+02   -2.07382e+02    1.65424e+01    5.75186e-06


DD  step 249849999 load imb.: force 14.2%  pme mesh/force 0.716
           Step           Time
      249850000   499700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91191e+03    1.93547e+04    1.30486e+04    1.15598e+03   -3.02503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88691e+03    9.27998e+04    4.01544e+05   -2.33753e+04   -2.97791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66820e+04   -2.44693e+06    4.78458e+05   -1.96847e+06    2.67413e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10193e+02   -2.07094e+02    1.98775e+01    5.58512e-06


DD  step 249854999 load imb.: force 14.7%  pme mesh/force 0.703
           Step           Time
      249855000   499710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97935e+03    1.93679e+04    1.30788e+04    1.24774e+03   -3.03167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79420e+03    9.29685e+04    4.02934e+05   -2.34388e+04   -2.98012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65715e+04   -2.44765e+06    4.82890e+05   -1.96476e+06    2.67419e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13066e+02   -2.08219e+02    9.17808e+01    5.66809e-06


DD  step 249859999 load imb.: force 15.2%  pme mesh/force 0.693
           Step           Time
      249860000   499720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.08187e+03    1.93027e+04    1.31828e+04    1.27685e+03   -3.04197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78735e+03    9.26824e+04    4.01318e+05   -2.33858e+04   -2.97617e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64285e+04   -2.44554e+06    4.81050e+05   -1.96449e+06    2.67425e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11874e+02   -2.07280e+02    4.29632e+01    5.78502e-06


DD  step 249864999 load imb.: force 15.3%  pme mesh/force 0.721
           Step           Time
      249865000   499730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.92676e+03    1.94783e+04    1.31505e+04    1.11878e+03   -2.99239e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76760e+03    9.21219e+04    4.00147e+05   -2.34066e+04   -2.97584e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64735e+04   -2.44706e+06    4.79132e+05   -1.96793e+06    2.67430e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.07648e+02    2.82238e+01    5.63947e-06


DD  step 249869999 load imb.: force 15.6%  pme mesh/force 0.709
           Step           Time
      249870000   499740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.22121e+03    1.94308e+04    1.33805e+04    1.17443e+03   -3.15431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72040e+03    9.24468e+04    3.98730e+05   -2.33488e+04   -2.97295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64477e+04   -2.44491e+06    4.78497e+05   -1.96641e+06    2.67437e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10218e+02   -2.06624e+02   -4.67216e+01    5.57526e-06


DD  step 249874999 load imb.: force 13.9%  pme mesh/force 0.701
           Step           Time
      249875000   499750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13217e+03    1.96736e+04    1.31026e+04    1.20875e+03   -2.86056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80873e+03    9.20035e+04    3.98911e+05   -2.33954e+04   -2.97371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65224e+04   -2.44560e+06    4.80809e+05   -1.96479e+06    2.67443e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11717e+02   -2.07449e+02   -9.97934e+01    5.58116e-06


DD  step 249879999 load imb.: force 16.6%  pme mesh/force 0.731
           Step           Time
      249880000   499760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33140e+03    1.95135e+04    1.30657e+04    1.13841e+03   -2.92574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87713e+03    9.22681e+04    3.98397e+05   -2.34247e+04   -2.97243e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64426e+04   -2.44474e+06    4.79486e+05   -1.96526e+06    2.67448e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.07968e+02    1.29137e+00    5.63106e-06


DD  step 249884999 load imb.: force 15.6%  pme mesh/force 0.734
           Step           Time
      249885000   499770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18014e+03    1.92787e+04    1.31837e+04    1.18804e+03   -3.04526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.78653e+03    9.27328e+04    4.01299e+05   -2.33744e+04   -2.98061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63202e+04   -2.45006e+06    4.80520e+05   -1.96954e+06    2.67454e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11530e+02   -2.07078e+02   -3.10859e+01    5.69620e-06


DD  step 249889999 load imb.: force 16.0%  pme mesh/force 0.734
           Step           Time
      249890000   499780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.21333e+03    1.94186e+04    1.31354e+04    1.24425e+03   -2.98038e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77876e+03    9.24869e+04    3.99355e+05   -2.33706e+04   -2.97647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64391e+04   -2.44775e+06    4.81031e+05   -1.96671e+06    2.67460e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11861e+02   -2.07010e+02   -4.80779e+01    5.54988e-06


DD  step 249894999 load imb.: force 15.1%  pme mesh/force 0.705
           Step           Time
      249895000   499790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.91829e+03    1.96823e+04    1.31348e+04    1.13430e+03   -2.99959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79703e+03    9.21251e+04    4.00665e+05   -2.33670e+04   -2.97716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62964e+04   -2.44777e+06    4.78956e+05   -1.96882e+06    2.67466e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.06948e+02    6.15059e+00    5.69916e-06


DD  step 249899999 load imb.: force 17.4%  pme mesh/force 0.756
           Step           Time
      249900000   499800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.97763e+03    1.92177e+04    1.34158e+04    1.28611e+03   -2.93250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81405e+03    9.25968e+04    4.00766e+05   -2.34114e+04   -2.97581e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.60852e+04   -2.44600e+06    4.78716e+05   -1.96728e+06    2.67472e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10360e+02   -2.07734e+02    3.67053e+01    5.79144e-06


DD  step 249904999 load imb.: force 17.4%  pme mesh/force 0.739
           Step           Time
      249905000   499810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06628e+03    1.92392e+04    1.30620e+04    1.20887e+03   -2.96595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.72928e+03    9.30206e+04    3.98744e+05   -2.33506e+04   -2.97349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64651e+04   -2.44528e+06    4.81276e+05   -1.96400e+06    2.67478e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12020e+02   -2.06657e+02   -5.26606e+01    5.75896e-06


DD  step 249909999 load imb.: force 17.2%  pme mesh/force 0.782
           Step           Time
      249910000   499820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.88738e+03    1.95368e+04    1.31939e+04    1.19658e+03   -3.00769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76576e+03    9.26760e+04    4.00689e+05   -2.33948e+04   -2.97524e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64915e+04   -2.44521e+06    4.78420e+05   -1.96679e+06    2.67483e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.07439e+02    5.09785e+01    5.66189e-06


DD  step 249914999 load imb.: force 16.4%  pme mesh/force 0.750
           Step           Time
      249915000   499830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95496e+03    1.93991e+04    1.31235e+04    1.19999e+03   -3.12117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.67635e+03    9.31177e+04    4.02251e+05   -2.33389e+04   -2.97931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65720e+04   -2.44748e+06    4.78991e+05   -1.96849e+06    2.67490e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.06451e+02   -1.90141e+01    5.60282e-06


DD  step 249919999 load imb.: force 16.6%  pme mesh/force 0.749
           Step           Time
      249920000   499840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.87432e+03    1.95297e+04    1.30960e+04    1.26967e+03   -3.00150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83640e+03    9.27442e+04    3.98626e+05   -2.33520e+04   -2.97453e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66111e+04   -2.44630e+06    4.80627e+05   -1.96567e+06    2.67495e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11599e+02   -2.06681e+02   -4.94159e+01    5.73350e-06


DD  step 249924999 load imb.: force 15.0%  pme mesh/force 0.731
           Step           Time
      249925000   499850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.33050e+03    1.96382e+04    1.32856e+04    1.18384e+03   -2.98420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.85152e+03    9.27896e+04    4.01572e+05   -2.33291e+04   -2.97573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62837e+04   -2.44411e+06    4.80720e+05   -1.96339e+06    2.67502e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11659e+02   -2.06277e+02    9.81842e+00    5.69417e-06


DD  step 249929999 load imb.: force 15.4%  pme mesh/force 0.717
           Step           Time
      249930000   499860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.93911e+03    1.92441e+04    1.30530e+04    1.19337e+03   -3.02507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81933e+03    9.28642e+04    3.99214e+05   -2.33879e+04   -2.97585e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.61977e+04   -2.44774e+06    4.79713e+05   -1.96803e+06    2.67507e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11007e+02   -2.07317e+02   -2.41325e+01    5.89401e-06


DD  step 249934999 load imb.: force 16.7%  pme mesh/force 0.778
           Step           Time
      249935000   499870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.94669e+03    1.94215e+04    1.30853e+04    1.21993e+03   -3.04601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.99371e+03    9.24823e+04    3.99316e+05   -2.33722e+04   -2.97657e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65031e+04   -2.44802e+06    4.79757e+05   -1.96827e+06    2.67513e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11035e+02   -2.07039e+02    9.33586e+00    5.61736e-06


DD  step 249939999 load imb.: force 15.9%  pme mesh/force 0.716
           Step           Time
      249940000   499880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95634e+03    1.92819e+04    1.32961e+04    1.14623e+03   -2.93882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87200e+03    9.33405e+04    3.97475e+05   -2.33804e+04   -2.97347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64145e+04   -2.44601e+06    4.81714e+05   -1.96429e+06    2.67519e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12304e+02   -2.07184e+02   -6.21658e+01    5.87388e-06


DD  step 249944999 load imb.: force 16.4%  pme mesh/force 0.754
           Step           Time
      249945000   499890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.89656e+03    1.97173e+04    1.31393e+04    1.14136e+03   -3.06965e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.80155e+03    9.29117e+04    3.97194e+05   -2.33288e+04   -2.97229e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64552e+04   -2.44543e+06    4.78781e+05   -1.96665e+06    2.67525e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10402e+02   -2.06272e+02   -7.74673e+01    5.71427e-06


DD  step 249949999 load imb.: force 15.5%  pme mesh/force 0.707
           Step           Time
      249950000   499900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15838e+03    1.93425e+04    1.29577e+04    1.24936e+03   -3.04618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.77687e+03    9.28991e+04    3.99793e+05   -2.33487e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63929e+04   -2.44581e+06    4.79540e+05   -1.96627e+06    2.67530e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10894e+02   -2.06624e+02   -2.85576e+00    5.73021e-06


DD  step 249954999 load imb.: force 15.4%  pme mesh/force 0.721
           Step           Time
      249955000   499910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90766e+03    1.90132e+04    1.30929e+04    1.22845e+03   -3.01170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84180e+03    9.28714e+04    4.03708e+05   -2.33983e+04   -2.97896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65256e+04   -2.44618e+06    4.79031e+05   -1.96715e+06    2.67536e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10564e+02   -2.07502e+02    1.19691e+02    5.79063e-06


DD  step 249959999 load imb.: force 14.8%  pme mesh/force 0.723
           Step           Time
      249960000   499920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.13813e+03    1.93651e+04    1.31023e+04    1.27703e+03   -3.03333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81488e+03    9.29116e+04    4.03042e+05   -2.33608e+04   -2.98058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64634e+04   -2.44786e+06    4.80639e+05   -1.96722e+06    2.67543e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11607e+02   -2.06837e+02    3.03697e+01    5.65874e-06


DD  step 249964999 load imb.: force 16.8%  pme mesh/force 0.784
           Step           Time
      249965000   499930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15375e+03    1.94145e+04    1.32657e+04    1.30229e+03   -3.06872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.87013e+03    9.33597e+04    3.99977e+05   -2.33950e+04   -2.97469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66497e+04   -2.44416e+06    4.81153e+05   -1.96300e+06    2.67548e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11940e+02   -2.07443e+02   -1.27381e+01    5.84067e-06


DD  step 249969999 load imb.: force 14.7%  pme mesh/force 0.729
           Step           Time
      249970000   499940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90942e+03    1.93364e+04    1.31928e+04    1.17689e+03   -3.06412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92546e+03    9.35591e+04    4.01568e+05   -2.34259e+04   -2.97840e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.62975e+04   -2.44693e+06    4.77848e+05   -1.96908e+06    2.67554e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09797e+02   -2.07989e+02    6.86316e+01    5.64337e-06


DD  step 249974999 load imb.: force 15.6%  pme mesh/force 0.751
           Step           Time
      249975000   499950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.18581e+03    1.94011e+04    1.33419e+04    1.24845e+03   -2.89692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.71233e+03    9.30201e+04    3.98340e+05   -2.34329e+04   -2.97508e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64652e+04   -2.44669e+06    4.80867e+05   -1.96582e+06    2.67560e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11754e+02   -2.08114e+02   -2.37052e+01    5.69020e-06


DD  step 249979999 load imb.: force 16.6%  pme mesh/force 0.729
           Step           Time
      249980000   499960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06480e+03    1.92023e+04    1.31201e+04    1.17728e+03   -3.05844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74458e+03    9.32725e+04    3.98794e+05   -2.33510e+04   -2.97619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65353e+04   -2.44768e+06    4.80051e+05   -1.96763e+06    2.67566e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11226e+02   -2.06663e+02   -9.24625e+01    5.61742e-06


DD  step 249984999 load imb.: force 16.4%  pme mesh/force 0.791
           Step           Time
      249985000   499970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.90244e+03    1.94818e+04    1.30551e+04    1.21695e+03   -2.96647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.82596e+03    9.33663e+04    4.00616e+05   -2.33556e+04   -2.97500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.69244e+04   -2.44393e+06    4.78146e+05   -1.96579e+06    2.67572e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09991e+02   -2.06745e+02    3.03531e+01    5.83215e-06


DD  step 249989999 load imb.: force 16.9%  pme mesh/force 0.753
           Step           Time
      249990000   499980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04932e+03    1.97191e+04    1.30350e+04    1.21617e+03   -2.96595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88889e+03    9.27999e+04    3.97894e+05   -2.34274e+04   -2.97407e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63026e+04   -2.44656e+06    4.80334e+05   -1.96623e+06    2.67578e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11409e+02   -2.08017e+02   -3.68435e+01    5.74466e-06


DD  step 249994999 load imb.: force 14.3%  pme mesh/force 0.732
           Step           Time
      249995000   499990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.15615e+03    1.96277e+04    1.30738e+04    1.19721e+03   -2.99208e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.75420e+03    9.28761e+04    3.98707e+05   -2.34131e+04   -2.97498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65116e+04   -2.44648e+06    4.79252e+05   -1.96723e+06    2.67583e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10708e+02   -2.07763e+02   -1.20142e+01    5.66893e-06


DD  step 249999999 load imb.: force 15.8%  pme mesh/force 0.733
           Step           Time
      250000000   500000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06270e+03    1.95741e+04    1.30567e+04    1.19415e+03   -2.97107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89508e+03    9.32588e+04    3.99710e+05   -2.33891e+04   -2.97805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63323e+04   -2.44832e+06    4.79236e+05   -1.96909e+06    2.67589e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.07337e+02   -4.38392e+01    5.65700e-06


DD  step 250004999 load imb.: force 16.4%  pme mesh/force 0.744
           Step           Time
      250005000   500010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.95606e+03    1.99378e+04    1.30490e+04    1.19948e+03   -3.00631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.92697e+03    9.25313e+04    4.01052e+05   -2.33564e+04   -2.97514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64845e+04   -2.44437e+06    4.78285e+05   -1.96608e+06    2.67595e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10081e+02   -2.06759e+02    6.80033e+01    5.62878e-06


DD  step 250009999 load imb.: force 16.4%  pme mesh/force 0.758
           Step           Time
      250010000   500020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.04862e+03    1.94846e+04    1.31474e+04    1.24384e+03   -2.94902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.74563e+03    9.27869e+04    3.99867e+05   -2.33697e+04   -2.97774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65976e+04   -2.44813e+06    4.79019e+05   -1.96911e+06    2.67601e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10557e+02   -2.06995e+02   -7.18069e+01    5.66579e-06


DD  step 250014999 load imb.: force 16.0%  pme mesh/force 0.755
           Step           Time
      250015000   500030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82716e+03    1.94617e+04    1.31157e+04    1.10251e+03   -3.06432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.84489e+03    9.24653e+04    4.01684e+05   -2.33738e+04   -2.97849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66182e+04   -2.44781e+06    4.78411e+05   -1.96940e+06    2.67607e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10163e+02   -2.07067e+02    5.93158e+01    5.67682e-06


DD  step 250019999 load imb.: force 15.0%  pme mesh/force 0.691
           Step           Time
      250020000   500040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06002e+03    1.93932e+04    1.31951e+04    1.27413e+03   -3.00699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.89132e+03    9.24338e+04    3.99108e+05   -2.33975e+04   -2.97626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63517e+04   -2.44796e+06    4.79337e+05   -1.96862e+06    2.67613e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10762e+02   -2.07486e+02   -4.36921e+01    5.68727e-06


DD  step 250024999 load imb.: force 14.4%  pme mesh/force 0.720
           Step           Time
      250025000   500050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.82303e+03    1.94942e+04    1.30807e+04    1.13000e+03   -2.97952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.76805e+03    9.28335e+04    4.01364e+05   -2.34095e+04   -2.98034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63546e+04   -2.44988e+06    4.78679e+05   -1.97120e+06    2.67619e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10336e+02   -2.07699e+02    6.24268e-01    5.72065e-06


DD  step 250029999 load imb.: force 16.4%  pme mesh/force 0.730
           Step           Time
      250030000   500060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.10694e+03    1.94368e+04    1.30313e+04    1.14170e+03   -2.98930e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.79847e+03    9.20373e+04    3.97335e+05   -2.34265e+04   -2.97140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.63782e+04   -2.44555e+06    4.78989e+05   -1.96656e+06    2.67625e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10537e+02   -2.08000e+02   -7.62549e+01    5.89595e-06


DD  step 250034999 load imb.: force 14.7%  pme mesh/force 0.723
           Step           Time
      250035000   500070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.99514e+03    1.95791e+04    1.31197e+04    1.21623e+03   -2.99831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88303e+03    9.26649e+04    3.99489e+05   -2.33770e+04   -2.97567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65100e+04   -2.44659e+06    4.80555e+05   -1.96603e+06    2.67630e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11553e+02   -2.07124e+02   -2.98036e+01    5.69922e-06


DD  step 250039999 load imb.: force 14.5%  pme mesh/force 0.720
           Step           Time
      250040000   500080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    6.75706e+03    1.91537e+04    1.31291e+04    1.13368e+03   -3.04333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.88372e+03    9.23478e+04    4.00512e+05   -2.34080e+04   -2.97730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65428e+04   -2.44829e+06    4.79570e+05   -1.96872e+06    2.67636e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10914e+02   -2.07672e+02   -5.80162e+00    5.61626e-06


DD  step 250044999 load imb.: force 14.5%  pme mesh/force 0.698
           Step           Time
      250045000   500090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.06855e+03    1.96237e+04    1.31191e+04    1.11475e+03   -3.01520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.81567e+03    9.20089e+04    4.02446e+05   -2.33887e+04   -2.97765e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.66429e+04   -2.44621e+06    4.77624e+05   -1.96859e+06    2.67643e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09652e+02   -2.07332e+02    2.78798e+01    5.67710e-06


DD  step 250049999 load imb.: force 17.0%  pme mesh/force 0.728
           Step           Time
      250050000   500100.00000

Writing checkpoint, step 250050000 at Wed Nov  8 17:56:50 2023


   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.03710e+03    1.93940e+04    1.30962e+04    1.10003e+03   -3.02339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.94849e+03    9.26986e+04    3.99653e+05   -2.33915e+04   -2.97479e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.65755e+04   -2.44570e+06    4.79049e+05   -1.96666e+06    2.67648e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10576e+02   -2.07380e+02   -3.01804e+00    5.66091e-06

	<======  ###############  ==>
	<====  A V E R A G E S  ====>
	<==  ###############  ======>

	Statistics over 42964801 steps using 429649 frames

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.01976e+03    1.94337e+04    1.30795e+04    1.18541e+03   -3.05428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    5.83791e+03    9.28584e+04    4.00441e+05   -2.33829e+04   -2.97698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.64966e+04   -2.44706e+06    4.79707e+05   -1.96735e+06    2.42767e+07
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11003e+02   -2.07229e+02    8.78928e-01    0.00000e+00

          Box-X          Box-Y          Box-Z
    1.38436e+01    1.38436e+01    9.78888e+00

   Total Virial (kJ/mol)
    1.59837e+05    2.94014e+01    6.19793e+01
    2.90161e+01    1.59879e+05    5.88001e+01
    6.17260e+01    5.89759e+01    1.59848e+05

   Pressure (bar)
    9.76209e-01   -7.52575e-02   -3.32072e-01
   -6.84398e-02    9.61012e-01   -4.09043e-01
   -3.27583e-01   -4.12146e-01    6.99563e-01

      T-Protein  T-non-Protein
    3.11074e+02    3.10998e+02


	M E G A - F L O P S   A C C O U N T I N G

 NB=Group-cutoff nonbonded kernels    NxN=N-by-N cluster Verlet kernels
 RF=Reaction-Field  VdW=Van der Waals  QSTab=quadratic-spline table
 W3=SPC/TIP3p  W4=TIP4p (single or pairs)
 V&F=Potential and force  V=Potential only  F=Force only

 Computing:                               M-Number         M-Flops  % Flops
-----------------------------------------------------------------------------
 Pair Search distance check        72816407.952618   655347671.574     0.4
 NxN QSTab Elec. + LJ [F]         2292652862.829640 93998767376.015    50.3
 NxN QSTab Elec. + LJ [V&F]        23158132.390904  1366329811.063     0.7
 NxN LJ [F]                          117336.548048     3872106.086     0.0
 NxN LJ [V&F]                          1184.861472       50949.043     0.0
 NxN QSTab Elec. [F]              2097355245.129208 71310078334.393    38.2
 NxN QSTab Elec. [V&F]             21185432.340536   868602725.962     0.5
 1,4 nonbonded interactions          957857.273494    86207154.614     0.0
 Calc Weights                      23635366.678110   850873200.412     0.5
 Spread Q Bspline                 504221155.799680  1008442311.599     0.5
 Gather F Bspline                 504221155.799680  3025326934.798     1.6
 3D-FFT                           1501865553.611720 12014924428.894     6.4
 Solve PME                          3167708.848128   202733366.280     0.1
 Reset In Box                        157566.723710      472700.171     0.0
 CG-CoM                              157569.290890      472707.873     0.0
 Bonds                               188400.652385    11115638.491     0.0
 Propers                             814870.415766   186605325.210     0.1
 Impropers                            59849.967793    12448793.301     0.0
 Virial                              824967.316810    14849411.703     0.0
 Stop-CM                              78784.737130      787847.371     0.0
 Calc-Ekin                          1575691.441940    42543668.932     0.0
 Lincs                               179120.255369    10747215.322     0.0
 Lincs-Mat                           899167.355328     3596669.421     0.0
 Constraint-V                       7873170.888847    62985367.111     0.0
 Constraint-Vir                      769405.224518    18465725.388     0.0
 Settle                             2504976.792703   809107504.043     0.4
 CMAP                                 23716.570152    40318169.258     0.0
 Urey-Bradley                        662001.653808   121146302.647     0.1
-----------------------------------------------------------------------------
 Total                                             186727219416.977   100.0
-----------------------------------------------------------------------------


    D O M A I N   D E C O M P O S I T I O N   S T A T I S T I C S

 av. #atoms communicated per step for force:  2 x 647956.8


Dynamic load balancing report:
 DLB got disabled because it was unsuitable to use.
 Average load imbalance: 13.2%.
 The balanceable part of the MD step is 80%, load imbalance is computed from this.
 Part of the total run time spent waiting due to load imbalance: 10.6%.
 Average PME mesh/force load: 0.724
 Part of the total run time spent waiting due to PP/PME imbalance: 6.2 %

NOTE: 10.6 % of the available CPU time was lost due to load imbalance
      in the domain decomposition.
      You might want to use dynamic load balancing (option -dlb.)
      You can also consider manually changing the decomposition (option -dd);
      e.g. by using fewer domains along the box dimension in which there is
      considerable inhomogeneity in the simulated system.
NOTE: 6.2 % performance was lost because the PME ranks
      had less work to do than the PP ranks.
      You might want to decrease the number of PME ranks
      or decrease the cut-off and the grid spacing.


     R E A L   C Y C L E   A N D   T I M E   A C C O U N T I N G

On 192 MPI ranks doing PP, and
on 64 MPI ranks doing PME

 Computing:          Num   Num      Call    Wall time         Giga-Cycles
                     Ranks Threads  Count      (s)         total sum    %
-----------------------------------------------------------------------------
 Domain decomp.       192    1     859296    1554.425     729818.429   1.0
 DD comm. load        192    1     498998      20.464       9607.974   0.0
 DD comm. bounds      192    1     138697      10.870       5103.652   0.0
 Send X to PME        192    1   42964801     186.127      87388.319   0.1
 Neighbor search      192    1     859297    3787.164    1778112.419   2.5
 Comm. coord.         192    1   42105504    8518.922    3999721.651   5.6
 Force                192    1   42964801   76606.606   35967591.675  50.8
 Wait + Comm. F       192    1   42964801   16104.235    7561104.331  10.7
 PME mesh *            64    1   42964801   63206.360    9892012.768  14.0
 PME wait for PP *                          49915.916    7812012.565  11.0
 Wait + Recv. PME F   192    1   42964801     294.222     138140.421   0.2
 NB X/F buffer ops.   192    1  127175809    1624.701     762813.712   1.1
 Write traj.          192    1       8716      16.520       7756.274   0.0
 Update               192    1   42964801     297.993     139910.852   0.2
 Constraints          192    1   42964801     827.651     388590.516   0.5
 Comm. energies       192    1    4296481    2864.380    1344855.967   1.9
 Rest                                         408.003     191561.455   0.3
-----------------------------------------------------------------------------
 Total                                     113122.280   70816103.528 100.0
-----------------------------------------------------------------------------
(*) Note that with separate PME ranks, the walltime column actually sums to
    twice the total reported, but the cycle count total and % are correct.
-----------------------------------------------------------------------------
 Breakdown of PME mesh computation
-----------------------------------------------------------------------------
 PME redist. X/F       64    1   85929602   18665.789    2921260.184   4.1
 PME spread            64    1   42964801   11259.455    1762143.458   2.5
 PME gather            64    1   42964801   12004.931    1878812.982   2.7
 PME 3D-FFT            64    1   85929602   13490.512    2111311.474   3.0
 PME 3D-FFT Comm.      64    1  171859204    5086.821     796105.037   1.1
 PME solve Elec        64    1   42964801    2641.892     413465.217   0.6
-----------------------------------------------------------------------------

               Core t (s)   Wall t (s)        (%)
       Time: 28959303.582   113122.280    25600.0
                         1d07h25:22
                 (ns/day)    (hour/ns)
Performance:       65.631        0.366
Finished mdrun on rank 0 Wed Nov  8 17:56:50 2023

